Related literature {#sec1}
==================

Several bis­(triphenyl­phosphine)iminium halide structures have been determined. For \[(Ph~3~P)~2~N\]Cl, see: Knapp *et al.* (2010[@bb8]); for \[(Ph~3~P)~2~N\]Cl·B(OH)~3~, see: Andrews *et al.* (1983[@bb1]); for \[(Ph~3~P)~2~N\]Cl·CH~3~C~6~H~5~, see: Weller *et al.* (1993[@bb12]); for \[(Ph~3~P)~2~N\]Cl·CH~2~Cl~2~, see: Carroll *et al.* (1996[@bb7]); for \[(Ph~3~P)~2~N\]Cl·CH~2~Cl~2~·H~2~O, see: de Arellano (1997[@bb2]); for \[(Ph~3~P)~2~N\]I, see: Beckett *et al.* (2010[@bb3]). For a discussion of the \[(Ph~3~P)~2~N\]^+^ cation, see: Lewis *et al.* (2000[@bb9]). For the synthesis, see: Martinsen & Songstad (1977[@bb10]).

Experimental {#sec2}
============

 {#sec2.1}

### Crystal data {#sec2.1.1}

C~36~H~30~NP~2~ ^+^·Br^−^·C~2~H~3~N*M* *~r~* = 659.51Orthorhombic,*a* = 19.7113 (6) Å*b* = 15.9564 (5) Å*c* = 20.3318 (6) Å*V* = 6394.8 (3) Å^3^*Z* = 8Mo *K*α radiationμ = 1.42 mm^−1^*T* = 100 K0.20 × 0.20 × 0.16 mm

### Data collection {#sec2.1.2}

Bruker APEXII CCD area-detector diffractometerAbsorption correction: multi-scan (*SADABS*; Bruker, 2001[@bb5]) *T* ~min~ = 0.765, *T* ~max~ = 0.80557718 measured reflections7749 independent reflections6140 reflections with *I* \> 2σ(*I*)*R* ~int~ = 0.045

### Refinement {#sec2.1.3}

*R*\[*F* ^2^ \> 2σ(*F* ^2^)\] = 0.034*wR*(*F* ^2^) = 0.085*S* = 1.027749 reflections391 parametersOnly H-atom displacement parameters refinedΔρ~max~ = 0.51 e Å^−3^Δρ~min~ = −0.45 e Å^−3^

 {#d5e527}

Data collection: *APEX2* (Bruker, 2007[@bb6]); cell refinement: *SAINT* (Bruker, 2007[@bb6]); data reduction: *SAINT*; program(s) used to solve structure: *SHELXS97* (Sheldrick, 2008[@bb11]); program(s) used to refine structure: *SHELXL97* (Sheldrick, 2008[@bb11]); molecular graphics: *DIAMOND* (Brandenburg *et al.*, 2010[@bb4]); software used to prepare material for publication: *SHELXL97*.

Supplementary Material
======================

Crystal structure: contains datablocks I, global. DOI: [10.1107/S1600536810046337/fi2100sup1.cif](http://dx.doi.org/10.1107/S1600536810046337/fi2100sup1.cif)

Structure factors: contains datablocks I. DOI: [10.1107/S1600536810046337/fi2100Isup2.hkl](http://dx.doi.org/10.1107/S1600536810046337/fi2100Isup2.hkl)

Additional supplementary materials: [crystallographic information](http://scripts.iucr.org/cgi-bin/sendsupfiles?fi2100&file=fi2100sup0.html&mime=text/html); [3D view](http://scripts.iucr.org/cgi-bin/sendcif?fi2100sup1&Qmime=cif); [checkCIF report](http://scripts.iucr.org/cgi-bin/paper?fi2100&checkcif=yes)

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: [FI2100](http://scripts.iucr.org/cgi-bin/sendsup?fi2100)).

Financial support by the Deutsche Forschungsgemeinschaft (DFG) and the Universität Freiburg is gratefully acknowledged.

Comment
=======

Crystal structures of \[(Ph~3~P)~2~N\]^+^ salts containing small counter anions are rare. Usually this cation is partnered by a bulky anion, while crystal structures containing small anions and especially halides remained unknown until recently. Only very recently the crystal structures of the halides \[(Ph~3~P)~2~N\]Cl (Knapp *et al.*, 2010) and \[(Ph~3~P)~2~N\]I (Beckett *et al.*, 2010) were determined. In contrast, crystal structures of \[(Ph~3~P)~2~N\]Cl containing solvate molecules are known for some time, *e.g.* \[(Ph~3~P)~2~N\]Cl^.^B(OH)~3~ (Andrews *et al.* (1983)), \[(Ph~3~P)~2~N\]Cl^.^CH~3~C~6~H~5~, (Weller *et al.* (1993)), \[(Ph~3~P)~2~N\]Cl^.^CH~2~Cl~2~ (Carroll *et al.* (1996)), \[(Ph~3~P)~2~N\]Cl^.^CH~2~Cl~2~^.^H~2~O (de Arellano (1997)).

\[(Ph~3~P)~2~N\]Br has been synthesized according to a published procedure (Martinsen *et al.*, 1977) and single crystals suitable for X-ray diffraction were obtained by layering a CH~3~CN solution with diethyl ether. In contrast to the the crystal structures of \[(Ph~3~P)~2~N\]Cl (Knapp *et al.*, 2010) and \[(Ph~3~P)~2~N\]I (Beckett *et al.*, 2010) the title compound crystallized with an aceteontrile solvate molecule.

The central P---N---P angle \[142.89 (11)°\] is significantly larger than in the corresponding chloride and iodide structures but still falls into the common range for PNP angles in these cations (Lewis *et al.*, 2000). The P-N (1.5775 (17) and 1.5790 (16) Å) and P-C distances (179.4 (2)--180.6 (2) Å) are in the expected range.

Experimental {#experimental}
============

\[(Ph~3~P)~2~N\]Br has been synthesized from \[(Ph~3~P)~2~N\]Cl and KBr in water according to a literature method (Martinsen *et al.*, 1977). Single crystals suitable for X-ray diffraction were obtained by layering a CH~3~CN solution with diethyl ether.

Refinement {#refinement}
==========

The hydrogen atoms were positioned geometrically and refined using a riding model. The same *U~iso~* value was used for all H atoms, which refined to 0.0237 (12) Å^2^.

Figures
=======

![View of the asymmetric unit of \[(Ph3P)2N\]Br.CH3CN. Displacement ellipsoids are shown at the 50% probability level and hydrogen atoms are drawn with arbitrary radii.](e-66-o3186-fig1){#Fap1}

Crystal data {#tablewrapcrystaldatalong}
============

  ------------------------------------ ---------------------------------------
  C~36~H~30~NP~2~^+^·Br^−^·C~2~H~3~N   *F*(000) = 2720
  *M~r~* = 659.51                      *D*~x~ = 1.370 Mg m^−3^
  Orthorhombic, *Pbca*                 Mo *K*α radiation, λ = 0.71073 Å
  Hall symbol: -P 2ac 2ab              Cell parameters from 9913 reflections
  *a* = 19.7113 (6) Å                  θ = 2.4--27.3°
  *b* = 15.9564 (5) Å                  µ = 1.42 mm^−1^
  *c* = 20.3318 (6) Å                  *T* = 100 K
  *V* = 6394.8 (3) Å^3^                Block, colourless
  *Z* = 8                              0.20 × 0.20 × 0.16 mm
  ------------------------------------ ---------------------------------------

Data collection {#tablewrapdatacollectionlong}
===============

  ------------------------------------------------------------ --------------------------------------
  Bruker APEXII CCD area-detector diffractometer               7749 independent reflections
  Radiation source: microfocus sealed tube                     6140 reflections with *I* \> 2σ(*I*)
  multilayer mirro optics                                      *R*~int~ = 0.045
  φ and ω scans                                                θ~max~ = 28.1°, θ~min~ = 2.1°
  Absorption correction: multi-scan (*SADABS*; Bruker, 2001)   *h* = −26→21
  *T*~min~ = 0.765, *T*~max~ = 0.805                           *k* = −21→20
  57718 measured reflections                                   *l* = −25→26
  ------------------------------------------------------------ --------------------------------------

Refinement {#tablewraprefinementdatalong}
==========

  ------------------------------------- -------------------------------------------------------------------------------------------------
  Refinement on *F*^2^                  Primary atom site location: structure-invariant direct methods
  Least-squares matrix: full            Secondary atom site location: difference Fourier map
  *R*\[*F*^2^ \> 2σ(*F*^2^)\] = 0.034   Hydrogen site location: inferred from neighbouring sites
  *wR*(*F*^2^) = 0.085                  Only H-atom displacement parameters refined
  *S* = 1.02                            *w* = 1/\[σ^2^(*F*~o~^2^) + (0.0378*P*)^2^ + 4.5281*P*\] where *P* = (*F*~o~^2^ + 2*F*~c~^2^)/3
  7749 reflections                      (Δ/σ)~max~ \< 0.001
  391 parameters                        Δρ~max~ = 0.51 e Å^−3^
  0 restraints                          Δρ~min~ = −0.45 e Å^−3^
  ------------------------------------- -------------------------------------------------------------------------------------------------

Special details {#specialdetails}
===============

  -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  Geometry. All e.s.d.\'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.\'s are taken into account individually in the estimation of e.s.d.\'s in distances, angles and torsion angles; correlations between e.s.d.\'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.\'s is used for estimating e.s.d.\'s involving l.s. planes.
  Refinement. Refinement of *F*^2^ against ALL reflections. The weighted *R*-factor *wR* and goodness of fit *S* are based on *F*^2^, conventional *R*-factors *R* are based on *F*, with *F* set to zero for negative *F*^2^. The threshold expression of *F*^2^ \> σ(*F*^2^) is used only for calculating *R*-factors(gt) *etc*. and is not relevant to the choice of reflections for refinement. *R*-factors based on *F*^2^ are statistically about twice as large as those based on *F*, and *R*- factors based on ALL data will be even larger.
  -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å^2^) {#tablewrapcoords}
==================================================================================================

  ------ --------------- --------------- --------------- -------------------- --
         *x*             *y*             *z*             *U*~iso~\*/*U*~eq~   
  P1     0.25018 (2)     0.06051 (3)     0.17193 (2)     0.01189 (10)         
  N1     0.18271 (8)     0.01276 (9)     0.15375 (7)     0.0143 (3)           
  P2     0.12559 (2)     0.00609 (3)     0.09951 (2)     0.01196 (10)         
  C1     0.28765 (10)    0.12141 (11)    0.10725 (9)     0.0148 (4)           
  C2     0.25987 (10)    0.19901 (12)    0.09087 (9)     0.0190 (4)           
  H2     0.2253          0.2228          0.1176          0.0236 (11)\*        
  C3     0.28261 (11)    0.24142 (13)    0.03571 (11)    0.0253 (5)           
  H3     0.2628          0.2935          0.0238          0.0236 (11)\*        
  C4     0.33434 (12)    0.20749 (14)    −0.00204 (10)   0.0285 (5)           
  H4     0.3503          0.2368          −0.0397         0.0236 (11)\*        
  C5     0.36285 (12)    0.13154 (14)    0.01468 (10)    0.0262 (5)           
  H5     0.3990          0.1095          −0.0110         0.0236 (11)\*        
  C6     0.33941 (10)    0.08711 (12)    0.06833 (9)     0.0192 (4)           
  H6     0.3581          0.0339          0.0788          0.0236 (11)\*        
  C7     0.23573 (10)    0.12855 (11)    0.24112 (9)     0.0144 (4)           
  C8     0.28104 (10)    0.19243 (12)    0.25734 (10)    0.0190 (4)           
  H8     0.3185          0.2041          0.2294          0.0236 (11)\*        
  C9     0.27146 (11)    0.23902 (13)    0.31445 (10)    0.0251 (5)           
  H9     0.3020          0.2830          0.3253          0.0236 (11)\*        
  C10    0.21734 (12)    0.22111 (13)    0.35532 (10)    0.0262 (5)           
  H10    0.2117          0.2517          0.3950          0.0236 (11)\*        
  C11    0.17135 (12)    0.15921 (13)    0.33905 (10)    0.0244 (5)           
  H11    0.1336          0.1486          0.3669          0.0236 (11)\*        
  C12    0.18020 (10)    0.11242 (12)    0.28210 (9)     0.0184 (4)           
  H12    0.1487          0.0696          0.2710          0.0236 (11)\*        
  C13    0.31240 (9)     −0.01526 (11)   0.19747 (8)     0.0131 (4)           
  C14    0.37648 (10)    0.01108 (12)    0.21822 (9)     0.0181 (4)           
  H14    0.3871          0.0692          0.2192          0.0236 (11)\*        
  C15    0.42468 (10)    −0.04721 (13)   0.23733 (9)     0.0204 (4)           
  H15    0.4683          −0.0291         0.2513          0.0236 (11)\*        
  C16    0.40922 (11)    −0.13207 (12)   0.23604 (9)     0.0201 (4)           
  H16    0.4424          −0.1721         0.2489          0.0236 (11)\*        
  C17    0.34575 (11)    −0.15843 (12)   0.21612 (10)    0.0203 (4)           
  H17    0.3352          −0.2165         0.2159          0.0236 (11)\*        
  C18    0.29719 (10)    −0.10029 (12)   0.19634 (9)     0.0170 (4)           
  H18    0.2538          −0.1187         0.1821          0.0236 (11)\*        
  C19    0.08890 (9)     −0.09672 (11)   0.10613 (9)     0.0127 (4)           
  C20    0.09094 (10)    −0.13784 (11)   0.16677 (9)     0.0159 (4)           
  H20    0.1147          −0.1138         0.2028          0.0236 (11)\*        
  C21    0.05793 (10)    −0.21417 (12)   0.17393 (10)    0.0193 (4)           
  H21    0.0594          −0.2427         0.2149          0.0236 (11)\*        
  C22    0.02288 (10)    −0.24900 (12)   0.12149 (10)    0.0212 (4)           
  H22    −0.0002         −0.3008         0.1270          0.0236 (11)\*        
  C23    0.02120 (10)    −0.20880 (12)   0.06107 (10)    0.0204 (4)           
  H23    −0.0025         −0.2333         0.0252          0.0236 (11)\*        
  C24    0.05428 (10)    −0.13253 (12)   0.05318 (9)     0.0171 (4)           
  H24    0.0533          −0.1048         0.0118          0.0236 (11)\*        
  C25    0.05703 (9)     0.07942 (12)    0.11228 (9)     0.0146 (4)           
  C26    0.07040 (10)    0.16532 (12)    0.11015 (10)    0.0189 (4)           
  H26    0.1149          0.1845          0.1004          0.0236 (11)\*        
  C27    0.01909 (10)    0.22260 (12)    0.12217 (9)     0.0200 (4)           
  H27    0.0285          0.2810          0.1207          0.0236 (11)\*        
  C28    −0.04602 (10)   0.19508 (12)    0.13630 (9)     0.0186 (4)           
  H28    −0.0809         0.2345          0.1454          0.0236 (11)\*        
  C29    −0.06021 (10)   0.10991 (13)    0.13709 (9)     0.0201 (4)           
  H29    −0.1050         0.0911          0.1458          0.0236 (11)\*        
  C30    −0.00886 (10)   0.05211 (12)    0.12510 (9)     0.0168 (4)           
  H30    −0.0187         −0.0062         0.1257          0.0236 (11)\*        
  C31    0.15659 (9)     0.02082 (11)    0.01724 (8)     0.0135 (4)           
  C32    0.21624 (10)    −0.02015 (12)   −0.00108 (9)    0.0185 (4)           
  H32    0.2388          −0.0557         0.0294          0.0236 (11)\*        
  C33    0.24261 (11)    −0.00892 (13)   −0.06364 (9)    0.0230 (4)           
  H33    0.2834          −0.0365         −0.0760         0.0236 (11)\*        
  C34    0.20953 (11)    0.04257 (13)    −0.10835 (10)   0.0243 (5)           
  H34    0.2276          0.0500          −0.1513         0.0236 (11)\*        
  C35    0.15028 (11)    0.08313 (13)    −0.09059 (9)    0.0227 (4)           
  H35    0.1276          0.1181          −0.1214         0.0236 (11)\*        
  C36    0.12382 (10)    0.07294 (12)    −0.02784 (9)    0.0178 (4)           
  H36    0.0834          0.1014          −0.0156         0.0236 (11)\*        
  Br1    0.115207 (11)   0.361552 (13)   0.016157 (10)   0.02274 (7)          
  C37    0.01999 (12)    0.99644 (14)    0.40311 (11)    0.0289 (5)           
  H37A   −0.0050         1.0350          0.3744          0.045 (4)\*          
  H37B   0.0460          1.0287          0.4355          0.045 (4)\*          
  H37C   −0.0121         0.9597          0.4260          0.045 (4)\*          
  C38    0.06723 (12)    0.94476 (13)    0.36271 (9)     0.0217 (4)           
  N2     0.10065 (10)    0.90568 (13)    0.33284 (9)     0.0323 (4)           
  ------ --------------- --------------- --------------- -------------------- --

Atomic displacement parameters (Å^2^) {#tablewrapadps}
=====================================

  ----- -------------- -------------- -------------- --------------- --------------- --------------
        *U*^11^        *U*^22^        *U*^33^        *U*^12^         *U*^13^         *U*^23^
  P1    0.0114 (2)     0.0112 (2)     0.0131 (2)     −0.00099 (19)   −0.00009 (17)   0.00014 (16)
  N1    0.0126 (8)     0.0153 (8)     0.0150 (8)     −0.0022 (6)     −0.0023 (6)     0.0019 (6)
  P2    0.0114 (2)     0.0114 (2)     0.0131 (2)     −0.00064 (18)   −0.00081 (17)   0.00066 (16)
  C1    0.0138 (10)    0.0147 (9)     0.0161 (9)     −0.0044 (8)     0.0001 (7)      −0.0001 (7)
  C2    0.0166 (10)    0.0158 (10)    0.0245 (10)    −0.0016 (8)     −0.0001 (8)     0.0019 (7)
  C3    0.0261 (12)    0.0195 (10)    0.0304 (11)    −0.0051 (9)     −0.0050 (9)     0.0084 (8)
  C4    0.0317 (13)    0.0328 (12)    0.0209 (10)    −0.0121 (11)    −0.0003 (9)     0.0069 (9)
  C5    0.0249 (12)    0.0338 (13)    0.0199 (11)    −0.0031 (10)    0.0081 (8)      −0.0017 (8)
  C6    0.0201 (11)    0.0181 (10)    0.0193 (10)    −0.0005 (8)     0.0007 (8)      −0.0029 (7)
  C7    0.0151 (10)    0.0133 (9)     0.0148 (9)     0.0036 (7)      −0.0026 (7)     −0.0004 (7)
  C8    0.0145 (10)    0.0167 (10)    0.0257 (10)    0.0027 (8)      −0.0035 (7)     −0.0034 (8)
  C9    0.0236 (11)    0.0199 (11)    0.0318 (12)    0.0072 (9)      −0.0122 (9)     −0.0096 (8)
  C10   0.0364 (13)    0.0244 (11)    0.0179 (10)    0.0156 (10)     −0.0057 (9)     −0.0058 (8)
  C11   0.0295 (12)    0.0260 (11)    0.0177 (10)    0.0102 (10)     0.0045 (8)      0.0033 (8)
  C12   0.0198 (11)    0.0170 (9)     0.0184 (10)    0.0008 (8)      0.0029 (7)      0.0027 (7)
  C13   0.0132 (9)     0.0143 (9)     0.0117 (8)     0.0018 (7)      0.0006 (6)      0.0000 (7)
  C14   0.0171 (10)    0.0165 (10)    0.0208 (10)    0.0000 (8)      −0.0003 (7)     −0.0033 (7)
  C15   0.0140 (10)    0.0272 (11)    0.0198 (10)    0.0009 (9)      −0.0026 (7)     −0.0036 (8)
  C16   0.0218 (11)    0.0209 (10)    0.0176 (10)    0.0078 (9)      −0.0001 (8)     0.0007 (7)
  C17   0.0234 (11)    0.0141 (9)     0.0233 (10)    0.0024 (8)      0.0005 (8)      0.0015 (7)
  C18   0.0149 (10)    0.0168 (9)     0.0192 (9)     −0.0005 (8)     0.0005 (7)      0.0004 (7)
  C19   0.0094 (9)     0.0107 (9)     0.0181 (9)     0.0005 (7)      0.0010 (7)      −0.0006 (7)
  C20   0.0119 (9)     0.0172 (9)     0.0185 (9)     0.0011 (8)      −0.0006 (7)     0.0000 (7)
  C21   0.0157 (10)    0.0165 (10)    0.0257 (10)    0.0027 (8)      0.0033 (8)      0.0060 (8)
  C22   0.0152 (10)    0.0132 (9)     0.0353 (11)    −0.0010 (8)     0.0036 (8)      0.0000 (8)
  C23   0.0171 (10)    0.0162 (10)    0.0279 (11)    −0.0007 (8)     −0.0036 (8)     −0.0048 (8)
  C24   0.0155 (10)    0.0168 (9)     0.0189 (10)    0.0023 (8)      −0.0019 (7)     −0.0015 (7)
  C25   0.0147 (9)     0.0149 (9)     0.0142 (9)     −0.0001 (8)     −0.0011 (7)     −0.0003 (7)
  C26   0.0149 (10)    0.0165 (9)     0.0254 (10)    −0.0004 (8)     0.0000 (8)      0.0005 (7)
  C27   0.0229 (11)    0.0128 (9)     0.0242 (10)    0.0008 (8)      −0.0009 (8)     −0.0003 (7)
  C28   0.0200 (11)    0.0194 (10)    0.0165 (9)     0.0050 (8)      0.0012 (7)      0.0003 (7)
  C29   0.0162 (10)    0.0231 (10)    0.0210 (10)    0.0012 (9)      0.0038 (8)      0.0020 (8)
  C30   0.0171 (10)    0.0153 (9)     0.0182 (9)     −0.0011 (8)     0.0014 (7)      0.0018 (7)
  C31   0.0132 (9)     0.0130 (9)     0.0141 (9)     −0.0031 (7)     −0.0002 (7)     −0.0006 (7)
  C32   0.0202 (11)    0.0155 (10)    0.0197 (9)     0.0008 (8)      −0.0018 (7)     −0.0009 (7)
  C33   0.0232 (11)    0.0251 (11)    0.0205 (10)    −0.0002 (9)     0.0051 (8)      −0.0075 (8)
  C34   0.0311 (12)    0.0271 (11)    0.0147 (10)    −0.0100 (10)    0.0034 (8)      −0.0015 (8)
  C35   0.0278 (12)    0.0241 (11)    0.0163 (10)    −0.0072 (9)     −0.0061 (8)     0.0047 (8)
  C36   0.0155 (10)    0.0195 (10)    0.0183 (9)     −0.0008 (8)     −0.0031 (7)     0.0028 (7)
  Br1   0.02371 (12)   0.02182 (11)   0.02270 (11)   −0.00315 (9)    0.00138 (8)     0.00234 (8)
  C37   0.0328 (13)    0.0269 (12)    0.0270 (11)    0.0017 (10)     −0.0026 (9)     −0.0020 (9)
  C38   0.0340 (13)    0.0179 (10)    0.0133 (9)     −0.0094 (9)     −0.0076 (8)     0.0045 (8)
  N2    0.0332 (12)    0.0361 (11)    0.0276 (10)    −0.0023 (10)    −0.0035 (8)     0.0065 (9)
  ----- -------------- -------------- -------------- --------------- --------------- --------------

Geometric parameters (Å, °) {#tablewrapgeomlong}
===========================

  ----------------------- -------------- ----------------------- --------------
  P1---N1                 1.5767 (16)    C18---H18               0.9500
  P1---C1                 1.7942 (19)    C19---C24               1.397 (3)
  P1---C13                1.7988 (18)    C19---C20               1.397 (3)
  P1---C7                 1.7997 (18)    C20---C21               1.389 (3)
  N1---P2                 1.5797 (15)    C20---H20               0.9500
  P2---C31                1.7963 (18)    C21---C22               1.387 (3)
  P2---C19                1.7978 (18)    C21---H21               0.9500
  P2---C25                1.8063 (19)    C22---C23               1.386 (3)
  C1---C2                 1.394 (3)      C22---H22               0.9500
  C1---C6                 1.402 (3)      C23---C24               1.390 (3)
  C2---C3                 1.384 (3)      C23---H23               0.9500
  C2---H2                 0.9500         C24---H24               0.9500
  C3---C4                 1.386 (3)      C25---C30               1.395 (3)
  C3---H3                 0.9500         C25---C26               1.396 (3)
  C4---C5                 1.378 (3)      C26---C27               1.385 (3)
  C4---H4                 0.9500         C26---H26               0.9500
  C5---C6                 1.381 (3)      C27---C28               1.387 (3)
  C5---H5                 0.9500         C27---H27               0.9500
  C6---H6                 0.9500         C28---C29               1.388 (3)
  C7---C8                 1.395 (3)      C28---H28               0.9500
  C7---C12                1.399 (3)      C29---C30               1.391 (3)
  C8---C9                 1.392 (3)      C29---H29               0.9500
  C8---H8                 0.9500         C30---H30               0.9500
  C9---C10                1.382 (3)      C31---C32               1.396 (3)
  C9---H9                 0.9500         C31---C36               1.396 (3)
  C10---C11               1.381 (3)      C32---C33               1.386 (3)
  C10---H10               0.9500         C32---H32               0.9500
  C11---C12               1.389 (3)      C33---C34               1.388 (3)
  C11---H11               0.9500         C33---H33               0.9500
  C12---H12               0.9500         C34---C35               1.383 (3)
  C13---C18               1.390 (3)      C34---H34               0.9500
  C13---C14               1.397 (3)      C35---C36               1.388 (3)
  C14---C15               1.385 (3)      C35---H35               0.9500
  C14---H14               0.9500         C36---H36               0.9500
  C15---C16               1.388 (3)      C37---C38               1.491 (3)
  C15---H15               0.9500         C37---H37A              0.9800
  C16---C17               1.381 (3)      C37---H37B              0.9800
  C16---H16               0.9500         C37---H37C              0.9800
  C17---C18               1.392 (3)      C38---N2                1.092 (3)
  C17---H17               0.9500                                 
                                                                 
  N1---P1---C1            115.92 (8)     C13---C18---C17         119.83 (18)
  N1---P1---C13           108.54 (8)     C13---C18---H18         120.1
  C1---P1---C13           107.16 (9)     C17---C18---H18         120.1
  N1---P1---C7            109.95 (9)     C24---C19---C20         120.13 (17)
  C1---P1---C7            108.14 (9)     C24---C19---P2          120.81 (14)
  C13---P1---C7           106.72 (8)     C20---C19---P2          118.88 (14)
  P1---N1---P2            142.88 (10)    C21---C20---C19         119.40 (18)
  N1---P2---C31           113.51 (8)     C21---C20---H20         120.3
  N1---P2---C19           107.22 (8)     C19---C20---H20         120.3
  C31---P2---C19          109.03 (8)     C22---C21---C20         120.29 (18)
  N1---P2---C25           112.90 (8)     C22---C21---H21         119.9
  C31---P2---C25          107.67 (8)     C20---C21---H21         119.9
  C19---P2---C25          106.22 (9)     C23---C22---C21         120.52 (19)
  C2---C1---C6            119.84 (17)    C23---C22---H22         119.7
  C2---C1---P1            119.63 (14)    C21---C22---H22         119.7
  C6---C1---P1            120.11 (14)    C22---C23---C24         119.75 (18)
  C3---C2---C1            120.03 (19)    C22---C23---H23         120.1
  C3---C2---H2            120.0          C24---C23---H23         120.1
  C1---C2---H2            120.0          C23---C24---C19         119.90 (18)
  C2---C3---C4            119.7 (2)      C23---C24---H24         120.1
  C2---C3---H3            120.1          C19---C24---H24         120.1
  C4---C3---H3            120.1          C30---C25---C26         119.23 (18)
  C5---C4---C3            120.44 (19)    C30---C25---P2          121.42 (14)
  C5---C4---H4            119.8          C26---C25---P2          119.35 (14)
  C3---C4---H4            119.8          C27---C26---C25         120.30 (18)
  C4---C5---C6            120.7 (2)      C27---C26---H26         119.9
  C4---C5---H5            119.7          C25---C26---H26         119.9
  C6---C5---H5            119.7          C26---C27---C28         120.23 (18)
  C5---C6---C1            119.27 (19)    C26---C27---H27         119.9
  C5---C6---H6            120.4          C28---C27---H27         119.9
  C1---C6---H6            120.4          C27---C28---C29         119.95 (18)
  C8---C7---C12           119.63 (17)    C27---C28---H28         120.0
  C8---C7---P1            121.62 (15)    C29---C28---H28         120.0
  C12---C7---P1           118.57 (14)    C28---C29---C30         120.05 (19)
  C9---C8---C7            120.05 (19)    C28---C29---H29         120.0
  C9---C8---H8            120.0          C30---C29---H29         120.0
  C7---C8---H8            120.0          C29---C30---C25         120.22 (18)
  C10---C9---C8           119.7 (2)      C29---C30---H30         119.9
  C10---C9---H9           120.1          C25---C30---H30         119.9
  C8---C9---H9            120.1          C32---C31---C36         119.58 (17)
  C11---C10---C9          120.70 (19)    C32---C31---P2          118.27 (14)
  C11---C10---H10         119.6          C36---C31---P2          122.13 (15)
  C9---C10---H10          119.6          C33---C32---C31         120.02 (18)
  C10---C11---C12         120.1 (2)      C33---C32---H32         120.0
  C10---C11---H11         119.9          C31---C32---H32         120.0
  C12---C11---H11         119.9          C32---C33---C34         120.1 (2)
  C11---C12---C7          119.72 (19)    C32---C33---H33         120.0
  C11---C12---H12         120.1          C34---C33---H33         120.0
  C7---C12---H12          120.1          C35---C34---C33         120.18 (18)
  C18---C13---C14         119.61 (17)    C35---C34---H34         119.9
  C18---C13---P1          120.29 (14)    C33---C34---H34         119.9
  C14---C13---P1          120.10 (14)    C34---C35---C36         120.16 (19)
  C15---C14---C13         120.20 (18)    C34---C35---H35         119.9
  C15---C14---H14         119.9          C36---C35---H35         119.9
  C13---C14---H14         119.9          C35---C36---C31         119.96 (19)
  C14---C15---C16         119.94 (19)    C35---C36---H36         120.0
  C14---C15---H15         120.0          C31---C36---H36         120.0
  C16---C15---H15         120.0          C38---C37---H37A        109.5
  C17---C16---C15         120.11 (19)    C38---C37---H37B        109.5
  C17---C16---H16         119.9          H37A---C37---H37B       109.5
  C15---C16---H16         119.9          C38---C37---H37C        109.5
  C16---C17---C18         120.31 (18)    H37A---C37---H37C       109.5
  C16---C17---H17         119.8          H37B---C37---H37C       109.5
  C18---C17---H17         119.8          N2---C38---C37          178.4 (2)
                                                                 
  C1---P1---N1---P2       −12.2 (2)      C14---C13---C18---C17   0.3 (3)
  C13---P1---N1---P2      −132.79 (17)   P1---C13---C18---C17    179.90 (14)
  C7---P1---N1---P2       110.82 (18)    C16---C17---C18---C13   −0.8 (3)
  P1---N1---P2---C31      35.6 (2)       N1---P2---C19---C24     −158.31 (15)
  P1---N1---P2---C19      156.03 (17)    C31---P2---C19---C24    −35.04 (18)
  P1---N1---P2---C25      −87.33 (19)    C25---P2---C19---C24    80.74 (16)
  N1---P1---C1---C2       77.13 (17)     N1---P2---C19---C20     26.59 (17)
  C13---P1---C1---C2      −161.53 (15)   C31---P2---C19---C20    149.86 (15)
  C7---P1---C1---C2       −46.83 (17)    C25---P2---C19---C20    −94.37 (16)
  N1---P1---C1---C6       −95.43 (17)    C24---C19---C20---C21   −0.4 (3)
  C13---P1---C1---C6      25.91 (18)     P2---C19---C20---C21    174.72 (14)
  C7---P1---C1---C6       140.62 (15)    C19---C20---C21---C22   −0.4 (3)
  C6---C1---C2---C3       1.0 (3)        C20---C21---C22---C23   1.0 (3)
  P1---C1---C2---C3       −171.53 (16)   C21---C22---C23---C24   −0.7 (3)
  C1---C2---C3---C4       −1.8 (3)       C22---C23---C24---C19   −0.1 (3)
  C2---C3---C4---C5       0.6 (3)        C20---C19---C24---C23   0.7 (3)
  C3---C4---C5---C6       1.5 (3)        P2---C19---C24---C23    −174.36 (15)
  C4---C5---C6---C1       −2.2 (3)       N1---P2---C25---C30     −116.56 (16)
  C2---C1---C6---C5       0.9 (3)        C31---P2---C25---C30    117.35 (16)
  P1---C1---C6---C5       173.48 (16)    C19---P2---C25---C30    0.67 (17)
  N1---P1---C7---C8       −164.10 (15)   N1---P2---C25---C26     62.58 (17)
  C1---P1---C7---C8       −36.63 (18)    C31---P2---C25---C26    −63.51 (17)
  C13---P1---C7---C8      78.37 (17)     C19---P2---C25---C26    179.81 (15)
  N1---P1---C7---C12      20.69 (17)     C30---C25---C26---C27   1.5 (3)
  C1---P1---C7---C12      148.16 (15)    P2---C25---C26---C27    −177.65 (15)
  C13---P1---C7---C12     −96.84 (16)    C25---C26---C27---C28   −0.1 (3)
  C12---C7---C8---C9      0.9 (3)        C26---C27---C28---C29   −1.3 (3)
  P1---C7---C8---C9       −174.29 (15)   C27---C28---C29---C30   1.4 (3)
  C7---C8---C9---C10      0.7 (3)        C28---C29---C30---C25   0.0 (3)
  C8---C9---C10---C11     −2.1 (3)       C26---C25---C30---C29   −1.5 (3)
  C9---C10---C11---C12    1.9 (3)        P2---C25---C30---C29    177.68 (14)
  C10---C11---C12---C7    −0.3 (3)       N1---P2---C31---C32     44.97 (17)
  C8---C7---C12---C11     −1.1 (3)       C19---P2---C31---C32    −74.47 (16)
  P1---C7---C12---C11     174.25 (15)    C25---P2---C31---C32    170.70 (14)
  N1---P1---C13---C18     2.28 (17)      N1---P2---C31---C36     −133.64 (16)
  C1---P1---C13---C18     −123.61 (15)   C19---P2---C31---C36    106.93 (16)
  C7---P1---C13---C18     120.73 (15)    C25---P2---C31---C36    −7.91 (18)
  N1---P1---C13---C14     −178.09 (14)   C36---C31---C32---C33   0.1 (3)
  C1---P1---C13---C14     56.02 (17)     P2---C31---C32---C33    −178.58 (15)
  C7---P1---C13---C14     −59.64 (17)    C31---C32---C33---C34   −0.5 (3)
  C18---C13---C14---C15   0.2 (3)        C32---C33---C34---C35   0.2 (3)
  P1---C13---C14---C15    −179.39 (14)   C33---C34---C35---C36   0.4 (3)
  C13---C14---C15---C16   −0.2 (3)       C34---C35---C36---C31   −0.8 (3)
  C14---C15---C16---C17   −0.4 (3)       C32---C31---C36---C35   0.6 (3)
  C15---C16---C17---C18   0.9 (3)        P2---C31---C36---C35    179.15 (15)
  ----------------------- -------------- ----------------------- --------------

###### Selected geometric parameters (Å, °)

  ---------- -------------
  P1---N1    1.5767 (16)
  P1---C1    1.7942 (19)
  P1---C13   1.7988 (18)
  P1---C7    1.7997 (18)
  P2---N1    1.5797 (15)
  P2---C31   1.7963 (18)
  P2---C19   1.7978 (18)
  P2---C25   1.8063 (19)
  ---------- -------------

  -------------- -------------
  P1---N1---P2   142.88 (10)
  -------------- -------------
