#------------------------------------------------------------------------------
#$Date: 2026-03-07 02:13:00 +0100 (Sat 07 de Mar de 2026) $
#$Revision: 304991 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/06/7720604.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7720604
loop_
_publ_author_name
'Kopp, Richard Otto'
'Coles, Nathan'
'Ernst, Moritz J.'
'Weber, Manuela'
'Ward, Benjamin D.'
'Muller, Christian'
_publ_section_title
;
 Janus-faced coordination chemistry of pyridyl-functionalized phosphinines
 with Cu(I) and Au(I)
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D6DT00083E
_journal_year                    2026
_chemical_formula_moiety         'C23 H32 N2 P Si2, F6 P, C2 H3 N'
_chemical_formula_sum            'C25 H35 F6 N3 P2 Si2'
_chemical_formula_weight         609.68
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2025-09-30
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-11-14 deposited with the CCDC.	2026-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.607(2)
_cell_angle_beta                 95.550(2)
_cell_angle_gamma                102.463(2)
_cell_formula_units_Z            2
_cell_length_a                   6.5266(3)
_cell_length_b                   12.3570(5)
_cell_length_c                   19.5307(8)
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      25.67
_cell_measurement_theta_min      2.65
_cell_volume                     1530.01(11)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29371
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.707
_diffrn_reflns_theta_min         2.649
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.277
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1190 before and 0.0678 after correction.
The Ratio of minimum to maximum transmission is 0.8305.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_description       block
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.205
_exptl_crystal_size_mid          0.132
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         5792
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0275P)²+1.6823P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1017
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4978
_reflns_number_total             5792
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00083e3.cif
_cod_data_source_block           rok477_mje
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7720604
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.976
_shelx_estimated_absorpt_t_min   0.945
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C22(H22), C23(H23), C24(H24), C25(H25), C32(H32), C33(H33), C34(H34),
 C35(H35)
2.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C27(H27A,H27B,
 H27C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C),
 C102(H10A,H10B,H10C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.57749(10) 0.36989(5) 0.88807(3) 0.03170(15) Uani 1 1 d . . . . .
Si1 Si 0.90140(10) 0.53406(5) 0.81571(3) 0.03002(15) Uani 1 1 d . . . . .
Si2 Si 0.25816(10) 0.18739(5) 0.94904(3) 0.03267(16) Uani 1 1 d . . . . .
N1 N 0.7420(3) 0.35433(15) 0.64233(9) 0.0277(4) Uani 1 1 d . . . . .
N2 N -0.0649(3) 0.13638(16) 0.81669(11) 0.0345(5) Uani 1 1 d . . . . .
C1 C 0.6605(3) 0.41401(18) 0.80860(11) 0.0278(5) Uani 1 1 d . . . . .
C2 C 0.5588(3) 0.35981(18) 0.74750(11) 0.0266(5) Uani 1 1 d . . . . .
C3 C 0.3883(3) 0.26896(18) 0.74419(12) 0.0273(5) Uani 1 1 d . . . . .
H3 H 0.331905 0.237398 0.699982 0.033 Uiso 1 1 calc R U . . .
C4 C 0.2942(3) 0.22086(17) 0.80136(12) 0.0274(5) Uani 1 1 d . . . . .
C5 C 0.3643(3) 0.25851(18) 0.86921(12) 0.0286(5) Uani 1 1 d . . . . .
C11 C 1.0963(4) 0.5104(2) 0.75687(14) 0.0414(6) Uani 1 1 d . . . . .
H11A H 1.230351 0.563633 0.768702 0.062 Uiso 1 1 calc R U . . .
H11B H 1.042853 0.520412 0.709246 0.062 Uiso 1 1 calc R U . . .
H11C H 1.118393 0.434800 0.761673 0.062 Uiso 1 1 calc R U . . .
C12 C 0.8188(5) 0.6671(2) 0.79917(16) 0.0479(7) Uani 1 1 d . . . . .
H12A H 0.705752 0.673075 0.827592 0.072 Uiso 1 1 calc R U . . .
H12B H 0.767748 0.669151 0.750447 0.072 Uiso 1 1 calc R U . . .
H12C H 0.939522 0.729104 0.810765 0.072 Uiso 1 1 calc R U . . .
C13 C 1.0361(5) 0.5391(2) 0.90423(14) 0.0558(8) Uani 1 1 d . . . . .
H13A H 1.083369 0.469873 0.912524 0.084 Uiso 1 1 calc R U . . .
H13B H 0.937796 0.548363 0.937606 0.084 Uiso 1 1 calc R U . . .
H13C H 1.158170 0.601708 0.909303 0.084 Uiso 1 1 calc R U . . .
C21 C 0.6239(3) 0.40561(18) 0.67988(11) 0.0260(5) Uani 1 1 d . . . . .
C22 C 0.5644(3) 0.49934(18) 0.65442(12) 0.0300(5) Uani 1 1 d . . . . .
H22 H 0.479630 0.535424 0.679646 0.036 Uiso 1 1 calc R U . . .
C23 C 0.6271(4) 0.54108(19) 0.59266(12) 0.0322(5) Uani 1 1 d . . . . .
H23 H 0.589188 0.606770 0.576037 0.039 Uiso 1 1 calc R U . . .
C24 C 0.7457(4) 0.48642(19) 0.55516(12) 0.0323(5) Uani 1 1 d . . . . .
H24 H 0.788165 0.513314 0.512195 0.039 Uiso 1 1 calc R U . . .
C25 C 0.8006(3) 0.39322(19) 0.58095(12) 0.0308(5) Uani 1 1 d . . . . .
H25 H 0.881222 0.354966 0.555415 0.037 Uiso 1 1 calc R U . . .
C26 C 0.8194(4) 0.25527(19) 0.66732(12) 0.0339(5) Uani 1 1 d . . . . .
H26A H 0.806819 0.248925 0.717298 0.041 Uiso 1 1 calc R U . . .
H26B H 0.970421 0.265110 0.660262 0.041 Uiso 1 1 calc R U . . .
C27 C 0.6968(4) 0.1501(2) 0.63030(14) 0.0426(6) Uani 1 1 d . . . . .
H27A H 0.704419 0.157163 0.580630 0.064 Uiso 1 1 calc R U . . .
H27B H 0.549180 0.137060 0.640073 0.064 Uiso 1 1 calc R U . . .
H27C H 0.757231 0.087553 0.646127 0.064 Uiso 1 1 calc R U . . .
C31 C 0.1072(3) 0.12620(18) 0.78675(12) 0.0293(5) Uani 1 1 d . . . . .
C32 C 0.1134(4) 0.03434(19) 0.74637(13) 0.0346(5) Uani 1 1 d . . . . .
H32 H 0.237253 0.030432 0.725491 0.042 Uiso 1 1 calc R U . . .
C33 C -0.0635(4) -0.0519(2) 0.73677(14) 0.0420(6) Uani 1 1 d . . . . .
H33 H -0.062535 -0.115975 0.709587 0.050 Uiso 1 1 calc R U . . .
C34 C -0.2408(4) -0.0425(2) 0.76760(14) 0.0439(6) Uani 1 1 d . . . . .
H34 H -0.364355 -0.100146 0.762200 0.053 Uiso 1 1 calc R U . . .
C35 C -0.2348(4) 0.0520(2) 0.80632(14) 0.0409(6) Uani 1 1 d . . . . .
H35 H -0.357982 0.058064 0.826954 0.049 Uiso 1 1 calc R U . . .
C41 C 0.4568(4) 0.2354(3) 1.02457(13) 0.0513(7) Uani 1 1 d . . . . .
H41A H 0.470870 0.315147 1.033032 0.077 Uiso 1 1 calc R U . . .
H41B H 0.593330 0.221065 1.015010 0.077 Uiso 1 1 calc R U . . .
H41C H 0.410382 0.195319 1.065298 0.077 Uiso 1 1 calc R U . . .
C42 C 0.2323(4) 0.0348(2) 0.93854(14) 0.0444(6) Uani 1 1 d . . . . .
H42A H 0.210471 0.000074 0.982913 0.067 Uiso 1 1 calc R U . . .
H42B H 0.361200 0.019954 0.922212 0.067 Uiso 1 1 calc R U . . .
H42C H 0.111545 0.004032 0.904981 0.067 Uiso 1 1 calc R U . . .
C43 C 0.0100(4) 0.2240(2) 0.97114(15) 0.0448(6) Uani 1 1 d . . . . .
H43A H -0.108346 0.184799 0.939143 0.067 Uiso 1 1 calc R U . . .
H43B H 0.022381 0.304169 0.967639 0.067 Uiso 1 1 calc R U . . .
H43C H -0.014780 0.202331 1.018265 0.067 Uiso 1 1 calc R U . . .
P11 P 0.74287(10) 0.22585(5) 0.38081(3) 0.03501(16) Uani 1 1 d . . . . .
F1 F 0.7408(3) 0.21213(15) 0.46188(8) 0.0635(5) Uani 1 1 d . . . . .
F2 F 0.7866(3) 0.35745(13) 0.39234(10) 0.0583(4) Uani 1 1 d . . . . .
F3 F 0.7458(3) 0.23657(16) 0.30018(8) 0.0636(5) Uani 1 1 d . . . . .
F4 F 0.6982(3) 0.09445(12) 0.37128(9) 0.0600(5) Uani 1 1 d . . . . .
F5 F 0.9903(2) 0.23322(15) 0.38803(9) 0.0590(5) Uani 1 1 d . . . . .
F6 F 0.4958(2) 0.22031(15) 0.37329(10) 0.0630(5) Uani 1 1 d . . . . .
N11 N 0.2340(4) 0.2672(3) 0.56039(14) 0.0619(7) Uani 1 1 d . . . . .
C101 C 0.2385(4) 0.1898(3) 0.52917(15) 0.0474(7) Uani 1 1 d . . . . .
C102 C 0.2466(5) 0.0902(2) 0.48985(17) 0.0566(8) Uani 1 1 d . . . . .
H10A H 0.130574 0.075524 0.452877 0.085 Uiso 1 1 calc R U . . .
H10B H 0.233349 0.027122 0.520308 0.085 Uiso 1 1 calc R U . . .
H10C H 0.381474 0.101133 0.469918 0.085 Uiso 1 1 calc R U . . .
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3.00 1.00 1.00 0.1000
-2.00 2.00 3.00 0.1010
-1.00 2.00 3.00 0.0910
-1.00 0.00 3.00 0.0620
0.00 2.00 -1.00 0.0660
0.00 2.00 -3.00 0.0560
0.00 0.00 -1.00 0.0490
0.00 0.00 1.00 0.0310
0.00 -1.00 -2.00 0.0330
0.00 -3.00 -2.00 0.0310
0.00 3.00 2.00 0.0640
0.00 -1.00 2.00 0.0290
3.00 -1.00 -1.00 0.1000
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
C5 P1 C1 105.60(11) . . ?
C11 Si1 C1 111.06(11) . . ?
C12 Si1 C1 110.13(12) . . ?
C12 Si1 C11 111.73(13) . . ?
C13 Si1 C1 108.27(11) . . ?
C13 Si1 C11 106.10(14) . . ?
C13 Si1 C12 109.41(14) . . ?
C41 Si2 C5 108.31(11) . . ?
C42 Si2 C5 109.36(11) . . ?
C42 Si2 C41 106.89(14) . . ?
C43 Si2 C5 113.64(11) . . ?
C43 Si2 C41 105.81(14) . . ?
C43 Si2 C42 112.48(13) . . ?
C21 N1 C26 122.01(19) . . ?
C25 N1 C21 121.23(19) . . ?
C25 N1 C26 116.73(18) . . ?
C31 N2 C35 117.0(2) . . ?
P1 C1 Si1 113.69(12) . . ?
C2 C1 P1 120.60(17) . . ?
C2 C1 Si1 125.65(16) . . ?
C1 C2 C21 119.00(19) . . ?
C3 C2 C1 124.3(2) . . ?
C3 C2 C21 116.54(19) . . ?
C2 C3 H3 117.6 . . ?
C2 C3 C4 124.8(2) . . ?
C4 C3 H3 117.6 . . ?
C3 C4 C31 116.6(2) . . ?
C5 C4 C3 123.2(2) . . ?
C5 C4 C31 120.20(19) . . ?
P1 C5 Si2 113.61(12) . . ?
C4 C5 P1 121.52(17) . . ?
C4 C5 Si2 124.62(17) . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C21 C2 120.11(19) . . ?
N1 C21 C22 118.6(2) . . ?
C22 C21 C2 121.26(19) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(2) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.3 . . ?
C22 C23 C24 119.5(2) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 120.6 . . ?
C25 C24 C23 118.9(2) . . ?
C25 C24 H24 120.6 . . ?
N1 C25 C24 121.2(2) . . ?
N1 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
N1 C26 H26A 109.3 . . ?
N1 C26 H26B 109.3 . . ?
N1 C26 C27 111.81(19) . . ?
H26A C26 H26B 107.9 . . ?
C27 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N2 C31 C4 115.0(2) . . ?
N2 C31 C32 122.7(2) . . ?
C32 C31 C4 122.3(2) . . ?
C31 C32 H32 120.4 . . ?
C31 C32 C33 119.2(2) . . ?
C33 C32 H32 120.4 . . ?
C32 C33 H33 120.7 . . ?
C34 C33 C32 118.5(2) . . ?
C34 C33 H33 120.7 . . ?
C33 C34 H34 120.7 . . ?
C35 C34 C33 118.6(2) . . ?
C35 C34 H34 120.7 . . ?
N2 C35 C34 123.9(2) . . ?
N2 C35 H35 118.0 . . ?
C34 C35 H35 118.0 . . ?
Si2 C41 H41A 109.5 . . ?
Si2 C41 H41B 109.5 . . ?
Si2 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.5 . . ?
Si2 C42 H42B 109.5 . . ?
Si2 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si2 C43 H43A 109.5 . . ?
Si2 C43 H43B 109.5 . . ?
Si2 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
F1 P11 F2 89.50(10) . . ?
F3 P11 F1 178.65(11) . . ?
F3 P11 F2 91.78(10) . . ?
F3 P11 F4 89.63(10) . . ?
F3 P11 F5 89.53(10) . . ?
F3 P11 F6 90.19(10) . . ?
F4 P11 F1 89.09(10) . . ?
F4 P11 F2 178.57(10) . . ?
F5 P11 F1 90.07(10) . . ?
F5 P11 F2 89.39(9) . . ?
F5 P11 F4 90.86(10) . . ?
F5 P11 F6 179.17(11) . . ?
F6 P11 F1 90.24(10) . . ?
F6 P11 F2 89.83(9) . . ?
F6 P11 F4 89.92(10) . . ?
N11 C101 C102 179.2(3) . . ?
C101 C102 H10A 109.5 . . ?
C101 C102 H10B 109.5 . . ?
C101 C102 H10C 109.5 . . ?
H10A C102 H10B 109.5 . . ?
H10A C102 H10C 109.5 . . ?
H10B C102 H10C 109.5 . . ?
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 1.747(2) . ?
P1 C5 1.741(2) . ?
Si1 C1 1.908(2) . ?
Si1 C11 1.860(3) . ?
Si1 C12 1.859(3) . ?
Si1 C13 1.856(3) . ?
Si2 C5 1.913(2) . ?
Si2 C41 1.868(3) . ?
Si2 C42 1.864(3) . ?
Si2 C43 1.861(3) . ?
N1 C21 1.358(3) . ?
N1 C25 1.355(3) . ?
N1 C26 1.491(3) . ?
N2 C31 1.344(3) . ?
N2 C35 1.346(3) . ?
C1 C2 1.397(3) . ?
C2 C3 1.396(3) . ?
C2 C21 1.505(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.402(3) . ?
C4 C5 1.400(3) . ?
C4 C31 1.500(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 C22 1.381(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.380(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.365(3) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.507(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C31 C32 1.385(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.388(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.381(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.376(4) . ?
C35 H35 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
P11 F1 1.5953(17) . ?
P11 F2 1.5988(16) . ?
P11 F3 1.5832(17) . ?
P11 F4 1.5921(16) . ?
P11 F5 1.5899(17) . ?
P11 F6 1.5914(17) . ?
N11 C101 1.136(4) . ?
C101 C102 1.456(4) . ?
C102 H10A 0.9800 . ?
C102 H10B 0.9800 . ?
C102 H10C 0.9800 . ?
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
P1 C1 C2 C3 -0.1(3) . . . . ?
P1 C1 C2 C21 175.32(15) . . . . ?
Si1 C1 C2 C3 177.05(16) . . . . ?
Si1 C1 C2 C21 -7.6(3) . . . . ?
N1 C21 C22 C23 -1.1(3) . . . . ?
N2 C31 C32 C33 -0.9(4) . . . . ?
C1 P1 C5 Si2 175.28(11) . . . . ?
C1 P1 C5 C4 0.7(2) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C1 C2 C21 N1 105.2(2) . . . . ?
C1 C2 C21 C22 -75.3(3) . . . . ?
C2 C3 C4 C5 -0.9(3) . . . . ?
C2 C3 C4 C31 177.8(2) . . . . ?
C2 C21 C22 C23 179.3(2) . . . . ?
C3 C2 C21 N1 -79.1(3) . . . . ?
C3 C2 C21 C22 100.4(2) . . . . ?
C3 C4 C5 P1 0.0(3) . . . . ?
C3 C4 C5 Si2 -173.95(16) . . . . ?
C3 C4 C31 N2 -128.1(2) . . . . ?
C3 C4 C31 C32 53.0(3) . . . . ?
C4 C31 C32 C33 177.9(2) . . . . ?
C5 P1 C1 Si1 -178.13(11) . . . . ?
C5 P1 C1 C2 -0.7(2) . . . . ?
C5 C4 C31 N2 50.7(3) . . . . ?
C5 C4 C31 C32 -128.2(2) . . . . ?
C21 N1 C25 C24 1.0(3) . . . . ?
C21 N1 C26 C27 105.2(2) . . . . ?
C21 C2 C3 C4 -174.49(19) . . . . ?
C21 C22 C23 C24 1.8(3) . . . . ?
C22 C23 C24 C25 -1.0(3) . . . . ?
C23 C24 C25 N1 -0.4(3) . . . . ?
C25 N1 C21 C2 179.2(2) . . . . ?
C25 N1 C21 C22 -0.3(3) . . . . ?
C25 N1 C26 C27 -76.7(3) . . . . ?
C26 N1 C21 C2 -2.8(3) . . . . ?
C26 N1 C21 C22 177.7(2) . . . . ?
C26 N1 C25 C24 -177.0(2) . . . . ?
C31 N2 C35 C34 0.3(4) . . . . ?
C31 C4 C5 P1 -178.72(16) . . . . ?
C31 C4 C5 Si2 7.4(3) . . . . ?
C31 C32 C33 C34 0.5(4) . . . . ?
C32 C33 C34 C35 0.2(4) . . . . ?
C33 C34 C35 N2 -0.6(4) . . . . ?
C35 N2 C31 C4 -178.4(2) . . . . ?
C35 N2 C31 C32 0.5(3) . . . . ?
