# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_130902-fcc1
_database_code_depnum_ccdc_archive 'CCDC 1052633'
_audit_update_record             
;
2015-03-08 deposited with the CCDC.
2015-04-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'Diphenyl(4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenyl)phosphine oxide'
_chemical_name_common            PBIPO
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H10 Cl0.50 N2 O P S0.50'
_chemical_formula_weight         359.03

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8937(8)
_cell_length_b                   12.4951(10)
_cell_length_c                   13.1030(8)
_cell_angle_alpha                115.982(7)
_cell_angle_beta                 111.790(6)
_cell_angle_gamma                91.787(6)
_cell_volume                     1448.05(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             367
_exptl_absorpt_coefficient_mu    0.183
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9969
_diffrn_reflns_av_R_equivalents  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.09
_diffrn_reflns_theta_max         26.37
_reflns_number_total             5915
_reflns_number_gt                4258
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1124P)²+1.2370P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5915
_refine_ls_number_parameters     355
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0796
_refine_ls_wR_factor_ref         0.2436
_refine_ls_wR_factor_gt          0.2211
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.146
_refine_ls_shift/su_mean         0.017

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4648(4) -0.0471(4) -0.2502(4) 0.0597(10) Uani 1 1 d . . .
H1 H 0.4592 0.0281 -0.2476 0.072 Uiso 1 1 calc R . .
C2 C 0.4020(5) -0.0864(4) -0.1942(5) 0.0754(13) Uani 1 1 d . . .
H2 H 0.3554 -0.0368 -0.1529 0.090 Uiso 1 1 calc R . .
C3 C 0.4081(5) -0.1982(5) -0.1994(5) 0.0739(12) Uani 1 1 d . . .
H3 H 0.3653 -0.2244 -0.1620 0.089 Uiso 1 1 calc R . .
C4 C 0.4776(5) -0.2713(4) -0.2598(4) 0.0708(12) Uani 1 1 d . . .
H4 H 0.4818 -0.3470 -0.2632 0.085 Uiso 1 1 calc R . .
C5 C 0.5403(4) -0.2330(3) -0.3146(4) 0.0578(10) Uani 1 1 d . . .
H5 H 0.5866 -0.2834 -0.3557 0.069 Uiso 1 1 calc R . .
C6 C 0.5362(3) -0.1202(3) -0.3102(3) 0.0463(8) Uani 1 1 d . . .
C7 C 0.6042(3) -0.0836(3) -0.3724(3) 0.0439(8) Uani 1 1 d . . .
C8 C 0.6911(4) -0.0929(3) -0.4982(3) 0.0514(9) Uani 1 1 d . . .
C9 C 0.7413(5) -0.1307(4) -0.5892(4) 0.0692(12) Uani 1 1 d . . .
H9 H 0.7250 -0.2131 -0.6461 0.083 Uiso 1 1 calc R . .
C10 C 0.8154(5) -0.0421(5) -0.5917(4) 0.0789(14) Uani 1 1 d . . .
H10 H 0.8502 -0.0653 -0.6513 0.095 Uiso 1 1 calc R . .
C11 C 0.8404(5) 0.0819(5) -0.5075(4) 0.0751(13) Uani 1 1 d . . .
H11 H 0.8913 0.1392 -0.5124 0.090 Uiso 1 1 calc R . .
C12 C 0.7915(4) 0.1216(4) -0.4173(4) 0.0611(10) Uani 1 1 d . . .
H12 H 0.8079 0.2043 -0.3612 0.073 Uiso 1 1 calc R . .
C13 C 0.7164(4) 0.0317(3) -0.4145(3) 0.0473(8) Uani 1 1 d . . .
C14 C 0.6866(3) 0.1442(3) -0.2186(3) 0.0397(7) Uani 1 1 d . . .
C15 C 0.7532(3) 0.1457(3) -0.1051(3) 0.0457(8) Uani 1 1 d . . .
H15 H 0.7761 0.0753 -0.1032 0.055 Uiso 1 1 calc R . .
C16 C 0.7854(4) 0.2533(3) 0.0060(3) 0.0466(8) Uani 1 1 d . . .
H16 H 0.8293 0.2543 0.0824 0.056 Uiso 1 1 calc R . .
C17 C 0.7531(3) 0.3597(3) 0.0048(3) 0.0399(7) Uani 1 1 d . . .
C18 C 0.6851(3) 0.3563(3) -0.1100(3) 0.0435(7) Uani 1 1 d . . .
H18 H 0.6623 0.4265 -0.1124 0.052 Uiso 1 1 calc R . .
C19 C 0.6511(3) 0.2480(3) -0.2217(3) 0.0441(8) Uani 1 1 d . . .
H19 H 0.6044 0.2457 -0.2984 0.053 Uiso 1 1 calc R . .
C20 C 1.0674(4) 0.4813(4) 0.1936(4) 0.0576(9) Uani 1 1 d . . .
H20 H 1.0382 0.4499 0.1076 0.069 Uiso 1 1 calc R . .
C21 C 1.2034(4) 0.4966(4) 0.2693(5) 0.0740(12) Uani 1 1 d . . .
H21 H 1.2642 0.4753 0.2333 0.089 Uiso 1 1 calc R . .
C22 C 1.2476(5) 0.5418(5) 0.3940(5) 0.0920(17) Uani 1 1 d . . .
H22 H 1.3388 0.5531 0.4442 0.110 Uiso 1 1 calc R . .
C23 C 1.1583(6) 0.5710(6) 0.4464(5) 0.1012(19) Uani 1 1 d . . .
H23 H 1.1889 0.6007 0.5324 0.121 Uiso 1 1 calc R . .
C24 C 1.0213(5) 0.5573(4) 0.3735(4) 0.0742(13) Uani 1 1 d . . .
H24 H 0.9616 0.5782 0.4107 0.089 Uiso 1 1 calc R . .
C25 C 0.9752(4) 0.5125(3) 0.2456(3) 0.0493(8) Uani 1 1 d . . .
C26 C 0.7848(4) 0.6203(3) 0.1177(3) 0.0471(8) Uani 1 1 d . . .
C27 C 0.8908(4) 0.6826(4) 0.1155(4) 0.0604(10) Uani 1 1 d . . .
H27 H 0.9757 0.6645 0.1389 0.072 Uiso 1 1 calc R . .
C28 C 0.8708(5) 0.7717(4) 0.0787(5) 0.0762(13) Uani 1 1 d . . .
H28 H 0.9418 0.8129 0.0768 0.091 Uiso 1 1 calc R . .
C29 C 0.7458(6) 0.7987(5) 0.0452(5) 0.0804(14) Uani 1 1 d . . .
H29 H 0.7318 0.8576 0.0194 0.096 Uiso 1 1 calc R . .
C30 C 0.6410(6) 0.7393(5) 0.0492(5) 0.0795(14) Uani 1 1 d . . .
H30 H 0.5569 0.7591 0.0276 0.095 Uiso 1 1 calc R . .
C31 C 0.6600(4) 0.6507(4) 0.0851(4) 0.0622(10) Uani 1 1 d . . .
H31 H 0.5885 0.6108 0.0875 0.075 Uiso 1 1 calc R . .
C32 C 0.9113(6) -0.2207(7) -0.2964(7) 0.114(2) Uani 1 1 d . . .
H32A H 0.8856 -0.3051 -0.3167 0.137 Uiso 1 1 calc R . .
H32B H 0.8399 -0.2066 -0.3571 0.137 Uiso 1 1 calc R . .
N2 N 0.6597(3) 0.0359(2) -0.3337(2) 0.0433(6) Uani 1 1 d . . .
N1 N 0.6199(3) -0.1622(3) -0.4706(3) 0.0528(8) Uani 1 1 d . . .
O1 O 0.7113(3) 0.4904(3) 0.2164(3) 0.0668(8) Uani 1 1 d . . .
O1W O 0.5434(5) 0.5746(3) 0.3421(5) 0.1204(17) Uani 1 1 d G . .
H1WA H 0.5036 0.5064 0.3274 0.181 Uiso 1 1 d G . .
H1WB H 0.6289 0.5831 0.3757 0.181 Uiso 1 1 d G . .
P1 P 0.79820(9) 0.49650(8) 0.15382(8) 0.0445(3) Uani 1 1 d . . .
Cl2 Cl 0.9234(2) -0.1250(3) -0.1477(2) 0.1577(10) Uani 1 1 d . . .
Cl1 Cl 1.0539(3) -0.2005(3) -0.3097(2) 0.1956(14) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.383(6) . ?
C1 C6 1.388(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.375(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.362(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.475(5) . ?
C7 N1 1.310(4) . ?
C7 N2 1.381(4) . ?
C8 N1 1.385(5) . ?
C8 C9 1.398(5) . ?
C8 C13 1.398(5) . ?
C9 C10 1.369(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.395(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.377(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.391(5) . ?
C12 H12 0.9300 . ?
C13 N2 1.394(4) . ?
C14 C19 1.377(5) . ?
C14 C15 1.383(5) . ?
C14 N2 1.432(4) . ?
C15 C16 1.388(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.390(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.389(5) . ?
C17 P1 1.813(3) . ?
C18 C19 1.393(4) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.387(5) . ?
C20 C21 1.393(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.346(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.360(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.397(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.382(5) . ?
C24 H24 0.9300 . ?
C25 P1 1.802(4) . ?
C26 C31 1.384(5) . ?
C26 C27 1.389(5) . ?
C26 P1 1.801(4) . ?
C27 C28 1.389(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.369(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.372(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.374(7) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 Cl1 1.650(7) . ?
C32 Cl2 1.733(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
O1 P1 1.484(3) . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 119.9(4) . . ?
C2 C1 H1 120.1 . . ?
C6 C1 H1 120.1 . . ?
C1 C2 C3 120.4(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.1(4) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 118.7(4) . . ?
C5 C6 C7 119.1(3) . . ?
C1 C6 C7 122.3(3) . . ?
N1 C7 N2 112.3(3) . . ?
N1 C7 C6 123.3(3) . . ?
N2 C7 C6 124.4(3) . . ?
N1 C8 C9 129.7(4) . . ?
N1 C8 C13 110.3(3) . . ?
C9 C8 C13 119.9(4) . . ?
C10 C9 C8 117.6(4) . . ?
C10 C9 H9 121.2 . . ?
C8 C9 H9 121.2 . . ?
C9 C10 C11 122.0(4) . . ?
C9 C10 H10 119.0 . . ?
C11 C10 H10 119.0 . . ?
C12 C11 C10 121.6(4) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C11 C12 C13 116.5(4) . . ?
C11 C12 H12 121.7 . . ?
C13 C12 H12 121.7 . . ?
C12 C13 N2 132.7(3) . . ?
C12 C13 C8 122.4(3) . . ?
N2 C13 C8 104.8(3) . . ?
C19 C14 C15 120.5(3) . . ?
C19 C14 N2 119.5(3) . . ?
C15 C14 N2 119.9(3) . . ?
C14 C15 C16 119.3(3) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C15 C16 C17 121.1(3) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 118.8(3) . . ?
C18 C17 P1 122.7(2) . . ?
C16 C17 P1 118.4(2) . . ?
C17 C18 C19 120.2(3) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C14 C19 C18 120.1(3) . . ?
C14 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C25 C20 C21 120.6(4) . . ?
C25 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 120.6(5) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.7(5) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C24 121.2(5) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C25 C24 C23 119.5(5) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C20 118.4(4) . . ?
C24 C25 P1 118.6(3) . . ?
C20 C25 P1 123.0(3) . . ?
C31 C26 C27 118.7(4) . . ?
C31 C26 P1 117.8(3) . . ?
C27 C26 P1 123.5(3) . . ?
C28 C27 C26 120.4(4) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.6(5) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C30 C29 C28 120.4(5) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 120.2(5) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C30 C31 C26 120.5(4) . . ?
C30 C31 H31 119.7 . . ?
C26 C31 H31 119.7 . . ?
Cl1 C32 Cl2 113.3(4) . . ?
Cl1 C32 H32A 108.9 . . ?
Cl2 C32 H32A 108.9 . . ?
Cl1 C32 H32B 108.9 . . ?
Cl2 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C7 N2 C13 106.8(3) . . ?
C7 N2 C14 128.9(3) . . ?
C13 N2 C14 122.8(3) . . ?
C7 N1 C8 105.8(3) . . ?
H1WA O1W H1WB 109.5 . . ?
O1 P1 C26 112.35(17) . . ?
O1 P1 C25 112.91(18) . . ?
C26 P1 C25 107.99(16) . . ?
O1 P1 C17 112.83(15) . . ?
C26 P1 C17 105.22(15) . . ?
C25 P1 C17 104.97(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -1.0(7) . . . . ?
C1 C2 C3 C4 0.4(7) . . . . ?
C2 C3 C4 C5 0.0(7) . . . . ?
C3 C4 C5 C6 0.4(6) . . . . ?
C4 C5 C6 C1 -1.0(6) . . . . ?
C4 C5 C6 C7 -179.3(3) . . . . ?
C2 C1 C6 C5 1.3(6) . . . . ?
C2 C1 C6 C7 179.5(4) . . . . ?
C5 C6 C7 N1 28.9(5) . . . . ?
C1 C6 C7 N1 -149.3(4) . . . . ?
C5 C6 C7 N2 -150.4(3) . . . . ?
C1 C6 C7 N2 31.4(5) . . . . ?
N1 C8 C9 C10 -176.5(4) . . . . ?
C13 C8 C9 C10 0.5(6) . . . . ?
C8 C9 C10 C11 -0.3(7) . . . . ?
C9 C10 C11 C12 0.0(8) . . . . ?
C10 C11 C12 C13 0.1(7) . . . . ?
C11 C12 C13 N2 175.2(4) . . . . ?
C11 C12 C13 C8 0.1(6) . . . . ?
N1 C8 C13 C12 177.1(3) . . . . ?
C9 C8 C13 C12 -0.4(6) . . . . ?
N1 C8 C13 N2 0.8(4) . . . . ?
C9 C8 C13 N2 -176.7(3) . . . . ?
C19 C14 C15 C16 -0.7(5) . . . . ?
N2 C14 C15 C16 176.4(3) . . . . ?
C14 C15 C16 C17 -0.7(5) . . . . ?
C15 C16 C17 C18 1.2(5) . . . . ?
C15 C16 C17 P1 179.9(3) . . . . ?
C16 C17 C18 C19 -0.4(5) . . . . ?
P1 C17 C18 C19 -179.0(3) . . . . ?
C15 C14 C19 C18 1.6(5) . . . . ?
N2 C14 C19 C18 -175.6(3) . . . . ?
C17 C18 C19 C14 -1.0(5) . . . . ?
C25 C20 C21 C22 0.0(7) . . . . ?
C20 C21 C22 C23 1.1(8) . . . . ?
C21 C22 C23 C24 -1.3(10) . . . . ?
C22 C23 C24 C25 0.4(9) . . . . ?
C23 C24 C25 C20 0.7(7) . . . . ?
C23 C24 C25 P1 -179.7(4) . . . . ?
C21 C20 C25 C24 -0.9(6) . . . . ?
C21 C20 C25 P1 179.5(3) . . . . ?
C31 C26 C27 C28 -1.4(6) . . . . ?
P1 C26 C27 C28 175.6(3) . . . . ?
C26 C27 C28 C29 0.4(7) . . . . ?
C27 C28 C29 C30 0.8(7) . . . . ?
C28 C29 C30 C31 -1.1(8) . . . . ?
C29 C30 C31 C26 0.1(7) . . . . ?
C27 C26 C31 C30 1.1(6) . . . . ?
P1 C26 C31 C30 -176.1(3) . . . . ?
N1 C7 N2 C13 -0.6(4) . . . . ?
C6 C7 N2 C13 178.8(3) . . . . ?
N1 C7 N2 C14 -166.7(3) . . . . ?
C6 C7 N2 C14 12.6(5) . . . . ?
C12 C13 N2 C7 -175.9(4) . . . . ?
C8 C13 N2 C7 -0.1(4) . . . . ?
C12 C13 N2 C14 -8.7(6) . . . . ?
C8 C13 N2 C14 167.0(3) . . . . ?
C19 C14 N2 C7 -134.8(4) . . . . ?
C15 C14 N2 C7 48.0(5) . . . . ?
C19 C14 N2 C13 61.0(4) . . . . ?
C15 C14 N2 C13 -116.1(4) . . . . ?
N2 C7 N1 C8 1.1(4) . . . . ?
C6 C7 N1 C8 -178.3(3) . . . . ?
C9 C8 N1 C7 176.0(4) . . . . ?
C13 C8 N1 C7 -1.2(4) . . . . ?
C31 C26 P1 O1 -34.1(3) . . . . ?
C27 C26 P1 O1 148.9(3) . . . . ?
C31 C26 P1 C25 -159.2(3) . . . . ?
C27 C26 P1 C25 23.7(3) . . . . ?
C31 C26 P1 C17 89.1(3) . . . . ?
C27 C26 P1 C17 -88.0(3) . . . . ?
C24 C25 P1 O1 -21.1(4) . . . . ?
C20 C25 P1 O1 158.5(3) . . . . ?
C24 C25 P1 C26 103.8(3) . . . . ?
C20 C25 P1 C26 -76.6(3) . . . . ?
C24 C25 P1 C17 -144.4(3) . . . . ?
C20 C25 P1 C17 35.2(4) . . . . ?
C18 C17 P1 O1 106.0(3) . . . . ?
C16 C17 P1 O1 -72.6(3) . . . . ?
C18 C17 P1 C26 -16.9(3) . . . . ?
C16 C17 P1 C26 164.6(3) . . . . ?
C18 C17 P1 C25 -130.7(3) . . . . ?
C16 C17 P1 C25 50.7(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.876
_refine_diff_density_rms         0.068
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_preparation       Luminescent
