#------------------------------------------------------------------------------
#$Date: 2026-03-07 02:13:00 +0100 (Sat 07 de Mar de 2026) $
#$Revision: 304991 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/06/7720605.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_7720605
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         'C25 H37 N2 P Si2, 2(F6 P)'
_chemical_formula_sum            'C25 H37 F12 N2 P3 Si2'
_chemical_formula_weight         742.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 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
_cell_angle_beta                 102.279(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0384(6)
_cell_length_b                   9.1095(5)
_cell_length_c                   28.3352(15)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.35
_cell_volume                     3288.5(3)
_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 0.998
_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  0.0330
_diffrn_reflns_av_unetI/netI     0.0157
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            104946
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.570
_diffrn_reflns_theta_min         1.896
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.343
_exptl_absorpt_correction_T_max  0.9420
_exptl_absorpt_correction_T_min  0.8886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1071 before and 0.0520 after correction.
The Ratio of minimum to maximum transmission is 0.9433.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.668
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         10050
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0372P)²+2.2569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.0962
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9131
_reflns_number_total             10050
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00083e3.cif
_cod_data_source_block           rok024
_cod_database_code               7720605
_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   0.963
_shelx_estimated_absorpt_t_min   0.875
_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. Restrained distances
 P11-F1 \\sim P11-F1A
 with sigma of 0.02
 P11-F2 \\sim P11-F2A
 with sigma of 0.02
 P11-F3 \\sim P11-F3A
 with sigma of 0.02
 P11-F4 \\sim P11-F4A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(F4A) = Uanis(F3A) = Uanis(F1A) = Uanis(F2A)
4. Others
 Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(F4A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B), C36(H36A,H36B)
5.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)
5.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C27(H27A,H27B,
 H27C), C37(H37A,H37B,H37C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,
 H43B,H43C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.35439(3) 0.25221(4) 0.45876(2) 0.02244(7) Uani 1 1 d . . . . .
Si1 Si 0.57759(3) 0.25584(4) 0.44547(2) 0.02077(8) Uani 1 1 d . . . . .
Si2 Si 0.12865(3) 0.24305(4) 0.46768(2) 0.02300(8) Uani 1 1 d . . . . .
N1 N 0.49289(9) 0.42545(13) 0.31987(4) 0.0228(2) Uani 1 1 d . . . . .
N2 N 0.03617(8) 0.41390(13) 0.34523(4) 0.0216(2) Uani 1 1 d . . . . .
C1 C 0.43757(9) 0.32720(13) 0.42447(4) 0.0180(2) Uani 1 1 d . . . . .
C2 C 0.39862(9) 0.42480(13) 0.38687(4) 0.0174(2) Uani 1 1 d . . . . .
C3 C 0.29418(9) 0.47083(14) 0.37407(4) 0.0185(2) Uani 1 1 d . . . . .
H3 H 0.275982 0.539870 0.348533 0.022 Uiso 1 1 calc R U . . .
C4 C 0.21481(9) 0.42183(13) 0.39644(4) 0.0172(2) Uani 1 1 d . . . . .
C5 C 0.22995(9) 0.32312(14) 0.43517(4) 0.0191(2) Uani 1 1 d . . . . .
C11 C 0.67667(11) 0.34585(19) 0.41645(6) 0.0344(3) Uani 1 1 d . . . . .
H11A H 0.660622 0.324130 0.381785 0.052 Uiso 1 1 calc R U . . .
H11B H 0.746749 0.308520 0.431018 0.052 Uiso 1 1 calc R U . . .
H11C H 0.674780 0.452261 0.421281 0.052 Uiso 1 1 calc R U . . .
C12 C 0.57337(13) 0.05490(17) 0.43351(6) 0.0324(3) Uani 1 1 d . . . . .
H12A H 0.531103 0.006641 0.453757 0.049 Uiso 1 1 calc R U . . .
H12B H 0.644851 0.015204 0.441085 0.049 Uiso 1 1 calc R U . . .
H12C H 0.541931 0.037008 0.399401 0.049 Uiso 1 1 calc R U . . .
C13 C 0.61644(14) 0.2904(2) 0.51180(6) 0.0399(4) Uani 1 1 d . . . . .
H13A H 0.614890 0.396193 0.517935 0.060 Uiso 1 1 calc R U . . .
H13B H 0.687539 0.252907 0.524112 0.060 Uiso 1 1 calc R U . . .
H13C H 0.567291 0.240355 0.528169 0.060 Uiso 1 1 calc R U . . .
C21 C 0.46961(9) 0.49616(14) 0.35853(4) 0.0188(2) Uani 1 1 d . . . . .
C22 C 0.50931(11) 0.63480(15) 0.37029(5) 0.0256(3) Uani 1 1 d . . . . .
H22 H 0.490768 0.686253 0.396425 0.031 Uiso 1 1 calc R U . . .
C23 C 0.57619(11) 0.69989(17) 0.34427(6) 0.0308(3) Uani 1 1 d . . . . .
H23 H 0.603660 0.795393 0.352321 0.037 Uiso 1 1 calc R U . . .
C24 C 0.60185(11) 0.62291(19) 0.30650(6) 0.0319(3) Uani 1 1 d . . . . .
H24 H 0.649204 0.663660 0.288791 0.038 Uiso 1 1 calc R U . . .
C25 C 0.55859(12) 0.48723(19) 0.29468(5) 0.0305(3) Uani 1 1 d . . . . .
H25 H 0.575224 0.435535 0.268168 0.037 Uiso 1 1 calc R U . . .
C26 C 0.44336(13) 0.27840(17) 0.30566(5) 0.0308(3) Uani 1 1 d . . . . .
H26A H 0.366176 0.288926 0.300326 0.037 Uiso 1 1 calc R U . . .
H26B H 0.465714 0.209309 0.332880 0.037 Uiso 1 1 calc R U . . .
C27 C 0.47003(13) 0.21269(19) 0.26105(5) 0.0334(3) Uani 1 1 d . . . . .
H27A H 0.450516 0.281525 0.234051 0.050 Uiso 1 1 calc R U . . .
H27B H 0.431346 0.120602 0.253128 0.050 Uiso 1 1 calc R U . . .
H27C H 0.545597 0.193161 0.266918 0.050 Uiso 1 1 calc R U . . .
C31 C 0.10998(9) 0.48998(14) 0.37672(4) 0.0188(2) Uani 1 1 d . . . . .
C32 C 0.08840(10) 0.63256(15) 0.38837(5) 0.0242(2) Uani 1 1 d . . . . .
H32 H 0.140326 0.688025 0.409602 0.029 Uiso 1 1 calc R U . . .
C33 C -0.00840(11) 0.69496(17) 0.36928(6) 0.0291(3) Uani 1 1 d . . . . .
H33 H -0.023063 0.793043 0.377128 0.035 Uiso 1 1 calc R U . . .
C34 C -0.08345(11) 0.61259(19) 0.33863(6) 0.0318(3) Uani 1 1 d . . . . .
H34 H -0.150939 0.652587 0.325868 0.038 Uiso 1 1 calc R U . . .
C35 C -0.05946(11) 0.47295(18) 0.32690(5) 0.0292(3) Uani 1 1 d . . . . .
H35 H -0.110578 0.416480 0.305582 0.035 Uiso 1 1 calc R U . . .
C36 C 0.06052(11) 0.26863(15) 0.32590(5) 0.0253(3) Uani 1 1 d . . . . .
H36A H -0.002737 0.205536 0.320240 0.030 Uiso 1 1 calc R U . . .
H36B H 0.116503 0.219015 0.349622 0.030 Uiso 1 1 calc R U . . .
C37 C 0.09625(13) 0.29163(18) 0.27897(5) 0.0321(3) Uani 1 1 d . . . . .
H37A H 0.040277 0.339858 0.255533 0.048 Uiso 1 1 calc R U . . .
H37B H 0.112402 0.196455 0.266159 0.048 Uiso 1 1 calc R U . . .
H37C H 0.159185 0.353480 0.284841 0.048 Uiso 1 1 calc R U . . .
C41 C 0.11636(18) 0.0441(2) 0.45209(8) 0.0499(5) Uani 1 1 d . . . . .
H41A H 0.088734 0.033047 0.417307 0.075 Uiso 1 1 calc R U . . .
H41B H 0.068376 -0.002662 0.469851 0.075 Uiso 1 1 calc R U . . .
H41C H 0.185511 -0.002544 0.460917 0.075 Uiso 1 1 calc R U . . .
C42 C 0.18003(14) 0.2662(2) 0.53376(6) 0.0388(4) Uani 1 1 d . . . . .
H42A H 0.252343 0.229840 0.542367 0.058 Uiso 1 1 calc R U . . .
H42B H 0.136133 0.210592 0.551523 0.058 Uiso 1 1 calc R U . . .
H42C H 0.178678 0.370454 0.542175 0.058 Uiso 1 1 calc R U . . .
C43 C -0.00327(12) 0.3312(2) 0.45249(6) 0.0390(4) Uani 1 1 d . . . . .
H43A H 0.004698 0.438098 0.454648 0.058 Uiso 1 1 calc R U . . .
H43B H -0.045383 0.297875 0.475252 0.058 Uiso 1 1 calc R U . . .
H43C H -0.038487 0.303919 0.419567 0.058 Uiso 1 1 calc R U . . .
P11 P 0.72183(3) 0.53229(4) 0.17948(2) 0.02377(8) Uani 1 1 d D . . . .
F5 F 0.82979(8) 0.57393(15) 0.16577(5) 0.0510(3) Uani 1 1 d . . . . .
F6 F 0.61272(8) 0.48874(13) 0.19316(4) 0.0453(3) Uani 1 1 d . . . . .
F1 F 0.71380(11) 0.39435(19) 0.14513(7) 0.0646(6) Uani 0.867(3) 1 d D . P A 1
F2 F 0.65806(13) 0.6279(3) 0.13708(8) 0.0883(9) Uani 0.867(3) 1 d D . P A 1
F3 F 0.72970(16) 0.6679(2) 0.21497(9) 0.0858(8) Uani 0.867(3) 1 d D . P A 1
F4 F 0.78506(14) 0.4369(2) 0.22239(6) 0.0788(7) Uani 0.867(3) 1 d D . P A 1
F1A F 0.6721(7) 0.5128(13) 0.1236(3) 0.0527(18) Uani 0.133(3) 1 d D . P A 2
F2A F 0.7004(7) 0.6990(11) 0.1739(4) 0.0527(18) Uani 0.133(3) 1 d D . P A 2
F3A F 0.7648(7) 0.5554(13) 0.2341(3) 0.0527(18) Uani 0.133(3) 1 d D . P A 2
F4A F 0.7404(7) 0.3659(10) 0.1830(4) 0.0527(18) Uani 0.133(3) 1 d D . P A 2
P21 P 0.27119(3) 0.92945(4) 0.32973(2) 0.02541(8) Uani 1 1 d . . . . .
F11 F 0.39236(8) 0.93200(12) 0.32707(4) 0.0399(2) Uani 1 1 d . . . . .
F12 F 0.24006(8) 0.99096(11) 0.27571(3) 0.0383(2) Uani 1 1 d . . . . .
F13 F 0.14941(8) 0.92925(12) 0.33240(4) 0.0406(2) Uani 1 1 d . . . . .
F14 F 0.30134(10) 0.86574(14) 0.38334(4) 0.0503(3) Uani 1 1 d . . . . .
F15 F 0.26080(9) 0.76570(10) 0.30866(4) 0.0414(2) Uani 1 1 d . . . . .
F16 F 0.28111(8) 1.09378(11) 0.35017(4) 0.0386(2) Uani 1 1 d . . . . .
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_
_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 106.26(6) . . ?
C11 Si1 C1 114.79(6) . . ?
C11 Si1 C13 107.76(9) . . ?
C12 Si1 C1 106.79(7) . . ?
C12 Si1 C11 110.43(8) . . ?
C12 Si1 C13 109.92(8) . . ?
C13 Si1 C1 107.04(7) . . ?
C41 Si2 C5 106.89(7) . . ?
C42 Si2 C5 107.71(7) . . ?
C42 Si2 C41 110.06(10) . . ?
C42 Si2 C43 107.49(8) . . ?
C43 Si2 C5 115.04(7) . . ?
C43 Si2 C41 109.60(10) . . ?
C21 N1 C26 118.73(11) . . ?
C25 N1 C21 120.28(12) . . ?
C25 N1 C26 120.98(12) . . ?
C31 N2 C35 121.04(12) . . ?
C31 N2 C36 121.23(11) . . ?
C35 N2 C36 117.48(12) . . ?
P1 C1 Si1 111.10(6) . . ?
C2 C1 P1 120.41(9) . . ?
C2 C1 Si1 128.49(9) . . ?
C1 C2 C21 121.29(10) . . ?
C3 C2 C1 124.40(11) . . ?
C3 C2 C21 114.22(11) . . ?
C2 C3 H3 117.9 . . ?
C4 C3 C2 124.18(11) . . ?
C4 C3 H3 117.9 . . ?
C3 C4 C5 124.50(11) . . ?
C3 C4 C31 113.83(10) . . ?
C5 C4 C31 121.62(10) . . ?
P1 C5 Si2 110.90(7) . . ?
C4 C5 P1 120.23(9) . . ?
C4 C5 Si2 128.84(9) . . ?
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 119.73(11) . . ?
N1 C21 C22 119.48(11) . . ?
C22 C21 C2 120.76(11) . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.57(13) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.7 . . ?
C24 C23 C22 118.58(14) . . ?
C24 C23 H23 120.7 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.55(13) . . ?
C25 C24 H24 120.2 . . ?
N1 C25 C24 121.45(14) . . ?
N1 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
N1 C26 H26A 108.6 . . ?
N1 C26 H26B 108.6 . . ?
N1 C26 C27 114.59(13) . . ?
H26A C26 H26B 107.6 . . ?
C27 C26 H26A 108.6 . . ?
C27 C26 H26B 108.6 . . ?
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 119.85(11) . . ?
N2 C31 C32 119.01(11) . . ?
C32 C31 C4 121.07(11) . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.45(13) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 120.4 . . ?
C34 C33 C32 119.13(14) . . ?
C34 C33 H33 120.4 . . ?
C33 C34 H34 120.4 . . ?
C35 C34 C33 119.29(13) . . ?
C35 C34 H34 120.4 . . ?
N2 C35 C34 121.00(14) . . ?
N2 C35 H35 119.5 . . ?
C34 C35 H35 119.5 . . ?
N2 C36 H36A 109.8 . . ?
N2 C36 H36B 109.8 . . ?
N2 C36 C37 109.20(12) . . ?
H36A C36 H36B 108.3 . . ?
C37 C36 H36A 109.8 . . ?
C37 C36 H36B 109.8 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
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 . . ?
F5 P11 F6 179.49(7) . . ?
F5 P11 F1A 88.7(3) . . ?
F1 P11 F5 89.15(7) . . ?
F1 P11 F6 90.36(7) . . ?
F1 P11 F3 178.59(12) . . ?
F2 P11 F5 91.89(8) . . ?
F2 P11 F6 88.25(8) . . ?
F2 P11 F1 90.84(13) . . ?
F2 P11 F3 90.33(15) . . ?
F2 P11 F4 179.41(12) . . ?
F3 P11 F5 91.61(8) . . ?
F3 P11 F6 88.88(8) . . ?
F4 P11 F5 88.57(9) . . ?
F4 P11 F6 91.29(8) . . ?
F4 P11 F1 89.55(12) . . ?
F4 P11 F3 89.28(13) . . ?
F1A P11 F6 91.1(3) . . ?
F2A P11 F5 83.7(3) . . ?
F2A P11 F6 96.7(3) . . ?
F2A P11 F1A 88.9(6) . . ?
F3A P11 F5 93.6(3) . . ?
F3A P11 F6 86.7(3) . . ?
F3A P11 F1A 176.9(5) . . ?
F3A P11 F2A 89.3(6) . . ?
F4A P11 F5 96.7(3) . . ?
F4A P11 F6 82.9(3) . . ?
F4A P11 F1A 88.8(6) . . ?
F4A P11 F2A 177.6(6) . . ?
F4A P11 F3A 92.9(6) . . ?
F11 P21 F12 90.10(6) . . ?
F11 P21 F13 179.23(6) . . ?
F11 P21 F15 90.11(6) . . ?
F11 P21 F16 89.93(6) . . ?
F12 P21 F13 89.61(6) . . ?
F12 P21 F15 89.16(6) . . ?
F12 P21 F16 90.18(6) . . ?
F14 P21 F11 90.26(6) . . ?
F14 P21 F12 179.11(7) . . ?
F14 P21 F13 90.04(6) . . ?
F14 P21 F15 90.03(6) . . ?
F14 P21 F16 90.64(6) . . ?
F15 P21 F13 90.60(6) . . ?
F16 P21 F13 89.35(5) . . ?
F16 P21 F15 179.33(6) . . ?
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 1.7423(12) . ?
P1 C5 1.7421(13) . ?
Si1 C1 1.9098(12) . ?
Si1 C11 1.8627(16) . ?
Si1 C12 1.8602(16) . ?
Si1 C13 1.8661(16) . ?
Si2 C5 1.9085(12) . ?
Si2 C41 1.8638(18) . ?
Si2 C42 1.8616(17) . ?
Si2 C43 1.8637(16) . ?
N1 C21 1.3598(17) . ?
N1 C25 1.3490(17) . ?
N1 C26 1.5043(19) . ?
N2 C31 1.3555(16) . ?
N2 C35 1.3559(17) . ?
N2 C36 1.4920(18) . ?
C1 C2 1.3977(17) . ?
C2 C3 1.3970(16) . ?
C2 C21 1.4967(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.3966(16) . ?
C4 C5 1.4001(16) . ?
C4 C31 1.4969(16) . ?
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 1.3786(18) . ?
C22 H22 0.9500 . ?
C22 C23 1.3889(19) . ?
C23 H23 0.9500 . ?
C23 C24 1.379(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.370(2) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.505(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C31 C32 1.3837(18) . ?
C32 H32 0.9500 . ?
C32 C33 1.3850(19) . ?
C33 H33 0.9500 . ?
C33 C34 1.383(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.368(2) . ?
C35 H35 0.9500 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.514(2) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
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 F5 1.5840(10) . ?
P11 F6 1.6018(10) . ?
P11 F1 1.5793(13) . ?
P11 F2 1.5710(15) . ?
P11 F3 1.5820(15) . ?
P11 F4 1.5769(15) . ?
P11 F1A 1.588(9) . ?
P11 F2A 1.546(10) . ?
P11 F3A 1.545(9) . ?
P11 F4A 1.535(9) . ?
P21 F11 1.5978(10) . ?
P21 F12 1.5994(10) . ?
P21 F13 1.6056(10) . ?
P21 F14 1.5953(11) . ?
P21 F15 1.6017(10) . ?
P21 F16 1.6004(10) . ?
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 0.72(18) . . . . ?
P1 C1 C2 C21 176.97(9) . . . . ?
Si1 C1 C2 C3 179.94(10) . . . . ?
Si1 C1 C2 C21 -3.80(18) . . . . ?
N1 C21 C22 C23 -2.7(2) . . . . ?
N2 C31 C32 C33 1.97(19) . . . . ?
C1 P1 C5 Si2 177.43(6) . . . . ?
C1 P1 C5 C4 -0.80(12) . . . . ?
C1 C2 C3 C4 -1.9(2) . . . . ?
C1 C2 C21 N1 85.99(15) . . . . ?
C1 C2 C21 C22 -95.93(15) . . . . ?
C2 C3 C4 C5 1.5(2) . . . . ?
C2 C3 C4 C31 178.87(12) . . . . ?
C2 C21 C22 C23 179.21(13) . . . . ?
C3 C2 C21 N1 -97.40(14) . . . . ?
C3 C2 C21 C22 80.68(15) . . . . ?
C3 C4 C5 P1 -0.10(18) . . . . ?
C3 C4 C5 Si2 -177.97(10) . . . . ?
C3 C4 C31 N2 101.23(14) . . . . ?
C3 C4 C31 C32 -75.79(15) . . . . ?
C4 C31 C32 C33 179.02(12) . . . . ?
C5 P1 C1 Si1 -178.84(6) . . . . ?
C5 P1 C1 C2 0.51(12) . . . . ?
C5 C4 C31 N2 -81.34(16) . . . . ?
C5 C4 C31 C32 101.64(15) . . . . ?
C21 N1 C25 C24 -1.3(2) . . . . ?
C21 N1 C26 C27 177.19(13) . . . . ?
C21 C2 C3 C4 -178.36(12) . . . . ?
C21 C22 C23 C24 0.0(2) . . . . ?
C22 C23 C24 C25 2.0(2) . . . . ?
C23 C24 C25 N1 -1.4(2) . . . . ?
C25 N1 C21 C2 -178.55(12) . . . . ?
C25 N1 C21 C22 3.35(19) . . . . ?
C25 N1 C26 C27 -2.3(2) . . . . ?
C26 N1 C21 C2 1.96(18) . . . . ?
C26 N1 C21 C22 -176.15(13) . . . . ?
C26 N1 C25 C24 178.18(14) . . . . ?
C31 N2 C35 C34 1.7(2) . . . . ?
C31 N2 C36 C37 -92.05(14) . . . . ?
C31 C4 C5 P1 -177.24(9) . . . . ?
C31 C4 C5 Si2 4.88(19) . . . . ?
C31 C32 C33 C34 0.4(2) . . . . ?
C32 C33 C34 C35 -1.7(2) . . . . ?
C33 C34 C35 N2 0.7(2) . . . . ?
C35 N2 C31 C4 179.88(12) . . . . ?
C35 N2 C31 C32 -3.04(19) . . . . ?
C35 N2 C36 C37 82.21(15) . . . . ?
C36 N2 C31 C4 -6.06(17) . . . . ?
C36 N2 C31 C32 171.02(12) . . . . ?
C36 N2 C35 C34 -172.54(13) . . . . ?
