# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1880252'
loop_
_audit_author_name
_audit_author_address
'Zhaosheng Qian'
;Zhejiang Normal University
China
;
_audit_update_record             
;
2018-11-21 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'Tetrephenylphosphonium Tetrafluoroborate'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H20 B F4 P'
_chemical_formula_weight         426.18

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   I-4

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'

_cell_length_a                   12.067(3)
_cell_length_b                   12.067(3)
_cell_length_c                   7.018(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1022.0(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6258
_cell_measurement_theta_min      3.36
_cell_measurement_theta_max      27.42

_exptl_crystal_description       rhombic
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          .70
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             440
_exptl_absorpt_coefficient_mu    0.178
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_absorpt_correction_T_min  .958
_exptl_absorpt_correction_T_max  .974

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            10468
_diffrn_reflns_av_R_equivalents  0.0826
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         3.36
_diffrn_reflns_theta_max         27.42
_reflns_number_total             1161
_reflns_number_gt                1125
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Siemens SMART'
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_reduction        'Siemens XPREP'
_computing_structure_solution    'Siemens SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.1102P)²+0.4349P] 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     SHELXL
_refine_ls_extinction_coef       0.032(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.11(18)
_refine_ls_number_reflns         1161
_refine_ls_number_parameters     69
_refine_ls_number_restraints     0
_refine_ls_R_factor_ref          0.0559
_refine_ls_R_factor_gt           0.0539
_refine_ls_wR_factor_ref         0.1581
_refine_ls_wR_factor_gt          0.1529
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
P1 P 0.0000 0.0000 0.0000 0.0301(3) Uani 1 4 d S . .
C1 C 0.09969(18) 0.06675(18) 0.1507(3) 0.0332(5) Uani 1 1 d . . .
C2 C 0.0605(2) 0.1434(2) 0.2838(4) 0.0478(7) Uani 1 1 d . . .
H2A H -0.0148 0.1596 0.2896 0.057 Uiso 1 1 calc R . .
C3 C 0.2119(2) 0.0441(2) 0.1405(4) 0.0435(6) Uani 1 1 d . . .
H3A H 0.2389 -0.0050 0.0496 0.052 Uiso 1 1 calc R . .
C4 C 0.2843(2) 0.0959(2) 0.2682(5) 0.0553(8) Uani 1 1 d . . .
H4A H 0.3596 0.0796 0.2642 0.066 Uiso 1 1 calc R . .
C5 C 0.2449(3) 0.1706(3) 0.3995(5) 0.0567(8) Uani 1 1 d . . .
H5A H 0.2937 0.2047 0.4836 0.068 Uiso 1 1 calc R . .
C6 C 0.1334(3) 0.1954(3) 0.4072(5) 0.0587(9) Uani 1 1 d . . .
H6A H 0.1072 0.2468 0.4951 0.070 Uiso 1 1 calc R . .
B1 B 0.0000 0.5000 0.2500 0.0560(16) Uani 1 4 d S . .
F1 F 0.0143(10) 0.4193(5) 0.1464(12) 0.291(5) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
P1 0.0278(4) 0.0278(4) 0.0347(5) 0.000 0.000 0.000
C1 0.0349(11) 0.0293(10) 0.0354(11) 0.0018(8) 0.0000(8) -0.0059(8)
C2 0.0386(13) 0.0583(16) 0.0465(14) -0.0135(12) 0.0089(10) -0.0109(11)
C3 0.0354(11) 0.0337(12) 0.0614(16) 0.0038(10) -0.0031(11) -0.0005(9)
C4 0.0357(13) 0.0501(15) 0.080(2) 0.0049(15) -0.0134(13) -0.0078(11)
C5 0.0569(17) 0.0596(16) 0.0534(16) -0.0018(13) -0.0107(13) -0.0226(13)
C6 0.0560(18) 0.0744(19) 0.0458(15) -0.0191(13) 0.0081(13) -0.0229(14)
B1 0.051(2) 0.051(2) 0.065(4) 0.000 0.000 0.000
F1 0.388(10) 0.197(6) 0.287(9) -0.156(7) 0.009(10) 0.053(6)

_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
P1 C1 1.793(2) . ?
P1 C1 1.793(2) 3 ?
P1 C1 1.793(2) 4 ?
P1 C1 1.793(2) 2 ?
C1 C3 1.383(3) . ?
C1 C2 1.397(3) . ?
C2 C6 1.385(4) . ?
C3 C4 1.399(4) . ?
C4 C5 1.374(4) . ?
C5 C6 1.380(5) . ?
B1 F1 1.228(5) 8 ?
B1 F1 1.228(5) . ?
B1 F1 1.228(5) 2_565 ?
B1 F1 1.228(5) 7_455 ?

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
C1 P1 C1 110.37(7) . 3 ?
C1 P1 C1 110.37(7) . 4 ?
C1 P1 C1 107.69(14) 3 4 ?
C1 P1 C1 107.69(14) . 2 ?
C1 P1 C1 110.37(7) 3 2 ?
C1 P1 C1 110.37(7) 4 2 ?
C3 C1 C2 119.8(2) . . ?
C3 C1 P1 122.49(19) . . ?
C2 C1 P1 117.68(18) . . ?
C6 C2 C1 120.2(3) . . ?
C1 C3 C4 119.3(3) . . ?
C5 C4 C3 120.4(3) . . ?
C4 C5 C6 120.4(3) . . ?
C5 C6 C2 119.8(3) . . ?
F1 B1 F1 110.5(4) 8 . ?
F1 B1 F1 110.5(4) 8 2_565 ?
F1 B1 F1 107.4(8) . 2_565 ?
F1 B1 F1 107.4(8) 8 7_455 ?
F1 B1 F1 110.5(4) . 7_455 ?
F1 B1 F1 110.5(4) 2_565 7_455 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.42
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.321
_refine_diff_density_rms         0.068

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetonitrile'
####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1880253'
loop_
_audit_author_name
_audit_author_address
'Zhaosheng Qian'
;Zhejiang Normal University
China
;
_audit_update_record             
;
2018-11-21 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'Tetraphenylphosphonium perchlorate'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H20 Cl O4 P'
_chemical_formula_weight         438.82

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'
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'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   I-4

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'

_cell_length_a                   12.1227(6)
_cell_length_b                   12.1227(6)
_cell_length_c                   7.0311(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1033.29(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9910
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      27.41

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             456
_exptl_absorpt_coefficient_mu    0.292
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_absorpt_correction_T_min  .932
_exptl_absorpt_correction_T_max  .957

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            16961
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.38
_diffrn_reflns_theta_max         27.41
_reflns_number_total             1172
_reflns_number_gt                1147
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Siemens SMART'
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_reduction        'Siemens XPREP'
_computing_structure_solution    'Siemens SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0976P)²+0.4833P] 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     SHELXL
_refine_ls_extinction_coef       0.085(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(15)
_refine_ls_number_reflns         1172
_refine_ls_number_parameters     69
_refine_ls_number_restraints     0
_refine_ls_R_factor_ref          0.0447
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.1294
_refine_ls_wR_factor_gt          0.1255
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
P1 P 0.0000 0.5000 0.2500 0.0299(3) Uani 1 4 d S . .
Cl1 Cl 0.0000 0.0000 0.5000 0.0495(4) Uani 1 4 d S . .
C1 C 0.06589(16) 0.40034(16) 0.0992(3) 0.0324(4) Uani 1 1 d . . .
C2 C 0.04464(18) 0.28824(18) 0.1118(4) 0.0421(5) Uani 1 1 d . . .
H2A H -0.0034 0.2614 0.2040 0.050 Uiso 1 1 calc R . .
C6 C 0.1414(2) 0.4395(2) -0.0366(4) 0.0467(6) Uani 1 1 d . . .
H6A H 0.1564 0.5146 -0.0449 0.056 Uiso 1 1 calc R . .
C3 C 0.0958(2) 0.2161(2) -0.0149(5) 0.0532(7) Uani 1 1 d . . .
H3A H 0.0802 0.1410 -0.0095 0.064 Uiso 1 1 calc R . .
C4 C 0.1695(2) 0.2554(2) -0.1485(4) 0.0554(7) Uani 1 1 d . . .
H4A H 0.2032 0.2068 -0.2327 0.066 Uiso 1 1 calc R . .
C5 C 0.1933(3) 0.3666(3) -0.1575(4) 0.0579(7) Uani 1 1 d . . .
H5A H 0.2444 0.3924 -0.2455 0.069 Uiso 1 1 calc R . .
O1 O 0.0791(8) 0.0234(18) 0.6067(16) 0.348(7) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
P1 0.0274(3) 0.0274(3) 0.0349(5) 0.000 0.000 0.000
Cl1 0.0468(4) 0.0468(4) 0.0550(7) 0.000 0.000 0.000
C1 0.0297(9) 0.0320(9) 0.0355(10) 0.0005(8) -0.0016(7) 0.0043(7)
C2 0.0342(10) 0.0351(11) 0.0569(13) -0.0054(10) -0.0010(10) 0.0003(7)
C6 0.0564(14) 0.0387(11) 0.0451(11) 0.0066(10) 0.0139(11) 0.0082(9)
C3 0.0490(13) 0.0359(11) 0.0745(18) -0.0147(12) -0.0057(13) 0.0086(9)
C4 0.0620(15) 0.0522(14) 0.0520(14) -0.0128(13) -0.0018(12) 0.0224(11)
C5 0.0673(17) 0.0584(16) 0.0479(14) 0.0021(13) 0.0143(13) 0.0185(13)
O1 0.216(6) 0.518(17) 0.310(11) -0.077(14) -0.173(8) -0.070(9)

_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
P1 C1 1.795(2) 7_455 ?
P1 C1 1.795(2) 8 ?
P1 C1 1.795(2) . ?
P1 C1 1.795(2) 2_565 ?
Cl1 O1 1.251(6) 2 ?
Cl1 O1 1.251(6) . ?
Cl1 O1 1.251(6) 3_556 ?
Cl1 O1 1.251(6) 4_556 ?
C1 C2 1.386(3) . ?
C1 C6 1.406(3) . ?
C2 C3 1.394(4) . ?
C2 H2A 0.9300 . ?
C6 C5 1.378(4) . ?
C6 H6A 0.9300 . ?
C3 C4 1.381(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.380(5) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?

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
C1 P1 C1 107.59(13) 7_455 8 ?
C1 P1 C1 110.42(6) 7_455 . ?
C1 P1 C1 110.42(6) 8 . ?
C1 P1 C1 110.42(6) 7_455 2_565 ?
C1 P1 C1 110.42(6) 8 2_565 ?
C1 P1 C1 107.59(12) . 2_565 ?
O1 Cl1 O1 106.3(12) 2 . ?
O1 Cl1 O1 111.1(6) 2 3_556 ?
O1 Cl1 O1 111.1(6) . 3_556 ?
O1 Cl1 O1 111.1(6) 2 4_556 ?
O1 Cl1 O1 111.1(6) . 4_556 ?
O1 Cl1 O1 106.3(12) 3_556 4_556 ?
C2 C1 C6 119.7(2) . . ?
C2 C1 P1 122.66(17) . . ?
C6 C1 P1 117.63(15) . . ?
C1 C2 C3 119.5(2) . . ?
C1 C2 H2A 120.3 . . ?
C3 C2 H2A 120.3 . . ?
C5 C6 C1 120.0(2) . . ?
C5 C6 H6A 120.0 . . ?
C1 C6 H6A 120.0 . . ?
C4 C3 C2 120.4(2) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4A 119.9 . . ?
C3 C4 H4A 119.9 . . ?
C6 C5 C4 120.2(3) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?

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
C1 P1 C1 C2 -3.69(18) 7_455 . . . ?
C1 P1 C1 C2 115.2(2) 8 . . . ?
C1 P1 C1 C2 -124.3(2) 2_565 . . . ?
C1 P1 C1 C6 176.01(18) 7_455 . . . ?
C1 P1 C1 C6 -65.13(14) 8 . . . ?
C1 P1 C1 C6 55.44(16) 2_565 . . . ?
C6 C1 C2 C3 -2.1(3) . . . . ?
P1 C1 C2 C3 177.58(18) . . . . ?
C2 C1 C6 C5 0.5(4) . . . . ?
P1 C1 C6 C5 -179.2(2) . . . . ?
C1 C2 C3 C4 1.8(4) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
C1 C6 C5 C4 1.4(4) . . . . ?
C3 C4 C5 C6 -1.7(5) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.41
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.063
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_preparation       Luminescent
