#------------------------------------------------------------------------------
#$Date: 2023-07-21 00:55:27 +0300 (Fri, 21 Jul 2023) $
#$Revision: 285296 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/19/7131904.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_7131904
loop_
_publ_author_name
'Li, Yan'
'Wang, Chenfeng'
'Su, Ming-Der'
'Fang, Zijie'
'Zhou, Jiahao'
'Zhang, Haoqi'
'Li, Xiaodi'
'Zuo, Darui'
'Zhang, Zheng-Feng'
_publ_section_title
;
 SiP-heterocycles derived from a bulky phosphanylsilylene
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D3CC02512H
_journal_year                    2023
_chemical_formula_moiety         'C49 H63 N2 P Si, C7 H8'
_chemical_formula_sum            'C56 H71 N2 P Si'
_chemical_formula_weight         831.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-08-17
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2022-11-30 deposited with the CCDC.	2023-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.1440(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.6045(3)
_cell_length_b                   18.8105(6)
_cell_length_c                   11.9676(3)
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      27.102
_cell_measurement_theta_min      2.220
_cell_volume                     2364.82(12)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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      170.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0242
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28644
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.111
_diffrn_reflns_theta_min         2.165
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.122
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7058
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1380 before and 0.0428 after correction.
The Ratio of minimum to maximum transmission is 0.9467.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.751
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details
;
 Flack x determined using 4068 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.009(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         9836
_refine_ls_number_restraints     196
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0383
_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)+(0.0587P)²+0.7937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1018
_reflns_Friedel_coverage         0.828
_reflns_Friedel_fraction_full    0.923
_reflns_Friedel_fraction_max     0.880
_reflns_number_gt                9489
_reflns_number_total             9836
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc02512h2.cif
_cod_data_source_block           mo_220816_ly_wcf0815_0m
_cod_database_code               7131904
_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   0.964
_shelx_estimated_absorpt_t_min   0.944
_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. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
4.a Ternary CH refined with riding coordinates:
 C46(H46), C43(H43), C48(H48), C34(H34), C31(H31), C36(H36)
4.b Secondary CH2 refined with riding coordinates:
 C42(H42A,H42B), C49(H49A,H49B), C47(H47A,H47B), C45(H45A,H45B), C40(H40A,
 H40B), C44(H44A,H44B), C50(H50A,H50B), C39(H39A,H39B), C37(H37A,H37B),
 C35(H35A,H35B), C32(H32A,H32B), C33(H33A,H33B)
4.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C26(H26), C22(H22), C19(H19), C5(H5), C27(H27), C57(H57), C1(H1),
 C20(H20), C21(H21), C28(H28), C23(H23), C4(H4), C29(H29), C3(H3), C2(H2),
 C53(H53), C54(H54), C56(H56), C55(H55)
4.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C10(H10A,H10B,H10C), C13(H13A,H13B,
 H13C), C15(H15A,H15B,H15C), C14(H14A,H14B,H14C), C51(H51A,H51B,H51C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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 0.45606(5) 0.46975(3) 0.73563(5) 0.01764(13) Uani 1 1 d . U . . .
Si1 Si 0.47606(6) 0.54100(3) 0.58704(6) 0.01769(14) Uani 1 1 d . U . . .
N2 N 0.32096(19) 0.50129(11) 0.45030(18) 0.0204(4) Uani 1 1 d . U . . .
N1 N 0.3513(2) 0.60967(11) 0.51462(19) 0.0208(4) Uani 1 1 d . U . . .
C7 C 0.2674(2) 0.56410(14) 0.4321(2) 0.0204(5) Uani 1 1 d . U . . .
C9 C 0.3713(3) 0.37655(15) 0.4460(3) 0.0282(6) Uani 1 1 d . U . . .
H9A H 0.442966 0.390764 0.428149 0.042 Uiso 1 1 calc R U . . .
H9B H 0.338752 0.330373 0.407652 0.042 Uiso 1 1 calc R U . . .
H9C H 0.399846 0.372863 0.535513 0.042 Uiso 1 1 calc R U . . .
C16 C 0.6335(2) 0.58331(14) 0.6219(2) 0.0215(5) Uani 1 1 d . U . . .
C17 C 0.7386(2) 0.63501(14) 0.6624(2) 0.0243(5) Uani 1 1 d . U . . .
C6 C 0.1352(2) 0.58323(15) 0.3420(2) 0.0254(5) Uani 1 1 d . U . . .
C25 C 0.6784(2) 0.48808(14) 0.4868(2) 0.0231(5) Uani 1 1 d . U . . .
C18 C 0.7958(3) 0.65476(16) 0.5853(3) 0.0293(6) Uani 1 1 d . U . . .
H18 H 0.766082 0.634514 0.505158 0.035 Uiso 1 1 calc R U . . .
C26 C 0.8084(2) 0.47478(17) 0.5505(2) 0.0292(6) Uani 1 1 d . U . . .
H26 H 0.852907 0.492276 0.632280 0.035 Uiso 1 1 calc R U . . .
C41 C 0.6234(2) 0.43967(13) 0.8419(2) 0.0196(5) Uani 1 1 d . U . . .
C42 C 0.6186(2) 0.39788(15) 0.9510(2) 0.0243(5) Uani 1 1 d . U . . .
H42A H 0.598592 0.430854 1.004770 0.029 Uiso 1 1 calc R U . . .
H42B H 0.550226 0.361765 0.919015 0.029 Uiso 1 1 calc R U . . .
C49 C 0.6588(2) 0.38654(14) 0.7630(2) 0.0236(5) Uani 1 1 d . U . . .
H49A H 0.592000 0.349587 0.730001 0.028 Uiso 1 1 calc R U . . .
H49B H 0.662572 0.411913 0.692152 0.028 Uiso 1 1 calc R U . . .
C22 C 0.7822(3) 0.66727(15) 0.7778(3) 0.0290(6) Uani 1 1 d . U . . .
H22 H 0.743077 0.655967 0.830939 0.035 Uiso 1 1 calc R U . . .
C38 C 0.3805(2) 0.52148(14) 0.8231(2) 0.0214(5) Uani 1 1 d . U . . .
C8 C 0.2658(2) 0.43206(14) 0.3942(2) 0.0223(5) Uani 1 1 d . U . . .
C46 C 0.7879(3) 0.35093(15) 0.8392(3) 0.0283(6) Uani 1 1 d . U . . .
H46 H 0.809278 0.317680 0.785545 0.034 Uiso 1 1 calc R U . . .
C12 C 0.3527(3) 0.68862(14) 0.5109(3) 0.0283(6) Uani 1 1 d . U . . .
C19 C 0.8946(3) 0.70311(17) 0.6231(3) 0.0365(7) Uani 1 1 d . U . . .
H19 H 0.932394 0.715568 0.569280 0.044 Uiso 1 1 calc R U . . .
C43 C 0.7469(3) 0.36092(16) 1.0271(2) 0.0288(6) Uani 1 1 d . U . . .
H43 H 0.741317 0.334156 1.096785 0.035 Uiso 1 1 calc R U . . .
C47 C 0.8916(3) 0.40771(17) 0.8920(3) 0.0315(6) Uani 1 1 d . U . . .
H47A H 0.974516 0.384778 0.941756 0.038 Uiso 1 1 calc R U . . .
H47B H 0.898874 0.434111 0.823771 0.038 Uiso 1 1 calc R U . . .
C5 C 0.1108(3) 0.60581(17) 0.2242(3) 0.0365(7) Uani 1 1 d . U . . .
H5 H 0.178013 0.608865 0.198906 0.044 Uiso 1 1 calc R U . . .
C45 C 0.8504(3) 0.41790(17) 1.0792(3) 0.0319(6) Uani 1 1 d . U . . .
H45A H 0.829748 0.450917 1.132495 0.038 Uiso 1 1 calc R U . . .
H45B H 0.933395 0.395293 1.129873 0.038 Uiso 1 1 calc R U . . .
C40 C 0.2587(3) 0.55466(16) 0.7244(2) 0.0284(6) Uani 1 1 d . U . . .
H40A H 0.206610 0.517032 0.667489 0.034 Uiso 1 1 calc R U . . .
H40B H 0.281858 0.589642 0.675561 0.034 Uiso 1 1 calc R U . . .
C44 C 0.7788(3) 0.30925(16) 0.9457(3) 0.0321(6) Uani 1 1 d . U . . .
H44A H 0.711688 0.272486 0.912287 0.039 Uiso 1 1 calc R U . . .
H44B H 0.860757 0.285264 0.995158 0.039 Uiso 1 1 calc R U . . .
C24 C 0.6085(2) 0.52561(14) 0.5464(2) 0.0221(5) Uani 1 1 d . U . . .
C11 C 0.2190(3) 0.43436(17) 0.2532(2) 0.0324(6) Uani 1 1 d . U . . .
H11A H 0.145918 0.466559 0.217463 0.049 Uiso 1 1 calc R U . . .
H11B H 0.193452 0.386529 0.219218 0.049 Uiso 1 1 calc R U . . .
H11C H 0.287712 0.451458 0.233139 0.049 Uiso 1 1 calc R U . . .
C27 C 0.8742(3) 0.43652(18) 0.4971(3) 0.0370(7) Uani 1 1 d . U . . .
H27 H 0.962487 0.427287 0.542947 0.044 Uiso 1 1 calc R U . . .
C50 C 0.7304(2) 0.49569(14) 0.8950(2) 0.0243(5) Uani 1 1 d . U . . .
H50A H 0.736506 0.522572 0.826595 0.029 Uiso 1 1 calc R U . . .
H50B H 0.710157 0.529700 0.947235 0.029 Uiso 1 1 calc R U . . .
C57 C 0.3327(3) 0.26548(17) 0.8235(3) 0.0413(7) Uani 1 1 d . U . . .
H57 H 0.415693 0.248800 0.840301 0.050 Uiso 1 1 calc R U . . .
C10 C 0.1573(3) 0.41061(16) 0.4281(3) 0.0307(6) Uani 1 1 d . U . . .
H10A H 0.186908 0.413013 0.517851 0.046 Uiso 1 1 calc R U . . .
H10B H 0.130221 0.361952 0.399814 0.046 Uiso 1 1 calc R U . . .
H10C H 0.085324 0.443128 0.388305 0.046 Uiso 1 1 calc R U . . .
C1 C 0.0359(3) 0.57920(16) 0.3777(3) 0.0314(6) Uani 1 1 d . U . . .
H1 H 0.052141 0.564063 0.458804 0.038 Uiso 1 1 calc R U . . .
C13 C 0.4414(3) 0.71501(15) 0.6401(3) 0.0329(6) Uani 1 1 d . U . . .
H13A H 0.443376 0.767096 0.640514 0.049 Uiso 1 1 calc R U . . .
H13B H 0.527462 0.696595 0.662736 0.049 Uiso 1 1 calc R U . . .
H13C H 0.410201 0.698225 0.699751 0.049 Uiso 1 1 calc R U . . .
C48 C 0.8586(2) 0.45895(15) 0.9725(2) 0.0277(5) Uani 1 1 d . U . . .
H48 H 0.926823 0.495825 1.006608 0.033 Uiso 1 1 calc R U . . .
C39 C 0.4595(3) 0.57918(17) 0.9120(3) 0.0329(6) Uani 1 1 d . U . . .
H39A H 0.486843 0.614633 0.867100 0.039 Uiso 1 1 calc R U . . .
H39B H 0.536619 0.557828 0.977466 0.039 Uiso 1 1 calc R U . . .
C37 C 0.3351(3) 0.46700(18) 0.8932(3) 0.0324(6) Uani 1 1 d . U . . .
H37A H 0.281986 0.430186 0.834944 0.039 Uiso 1 1 calc R U . . .
H37B H 0.409820 0.443234 0.957796 0.039 Uiso 1 1 calc R U . . .
C20 C 0.9389(3) 0.73359(17) 0.7396(3) 0.0379(7) Uani 1 1 d . U . . .
H20 H 1.007556 0.766422 0.766192 0.045 Uiso 1 1 calc R U . . .
C21 C 0.8823(3) 0.71581(17) 0.8166(3) 0.0363(7) Uani 1 1 d . U . . .
H21 H 0.911590 0.736728 0.896201 0.044 Uiso 1 1 calc R U . . .
C28 C 0.8120(3) 0.41188(19) 0.3780(3) 0.0414(7) Uani 1 1 d . U . . .
H28 H 0.857239 0.386134 0.341026 0.050 Uiso 1 1 calc R U . . .
C23 C 0.6166(3) 0.46277(19) 0.3658(2) 0.0341(6) Uani 1 1 d . U . . .
H23 H 0.528184 0.471506 0.319588 0.041 Uiso 1 1 calc R U . . .
C4 C -0.0133(4) 0.62414(19) 0.1424(3) 0.0511(10) Uani 1 1 d . U . . .
H4 H -0.030410 0.639713 0.061397 0.061 Uiso 1 1 calc R U . . .
C34 C 0.2571(3) 0.5045(2) 0.9533(3) 0.0428(8) Uani 1 1 d . U . . .
H34 H 0.230995 0.468779 0.999972 0.051 Uiso 1 1 calc R U . . .
C35 C 0.1392(3) 0.5381(2) 0.8541(3) 0.0432(8) Uani 1 1 d . U . . .
H35A H 0.088964 0.562076 0.892460 0.052 Uiso 1 1 calc R U . . .
H35B H 0.085217 0.501026 0.797272 0.052 Uiso 1 1 calc R U . . .
C32 C 0.3404(4) 0.5611(3) 1.0424(3) 0.0541(10) Uani 1 1 d . U . . .
H32A H 0.417001 0.538625 1.106749 0.065 Uiso 1 1 calc R U . . .
H32B H 0.292569 0.584769 1.083457 0.065 Uiso 1 1 calc R U . . .
C15 C 0.2213(3) 0.72178(17) 0.4783(4) 0.0442(8) Uani 1 1 d . U . . .
H15A H 0.183903 0.700623 0.530094 0.066 Uiso 1 1 calc R U . . .
H15B H 0.165690 0.712682 0.391187 0.066 Uiso 1 1 calc R U . . .
H15C H 0.230566 0.773172 0.492744 0.066 Uiso 1 1 calc R U . . .
C29 C 0.6834(3) 0.4249(2) 0.3126(3) 0.0447(8) Uani 1 1 d . U . . .
H29 H 0.640166 0.407809 0.230396 0.054 Uiso 1 1 calc R U . . .
C3 C -0.1108(3) 0.61979(19) 0.1784(3) 0.0518(10) Uani 1 1 d . U . . .
H3 H -0.194956 0.632407 0.122329 0.062 Uiso 1 1 calc R U . . .
C14 C 0.4043(4) 0.71263(19) 0.4187(3) 0.0449(8) Uani 1 1 d . U . . .
H14A H 0.404741 0.764689 0.415560 0.067 Uiso 1 1 calc R U . . .
H14B H 0.349901 0.693853 0.336680 0.067 Uiso 1 1 calc R U . . .
H14C H 0.491193 0.694753 0.444873 0.067 Uiso 1 1 calc R U . . .
C31 C 0.3801(3) 0.6161(2) 0.9708(3) 0.0457(8) Uani 1 1 d . U . . .
H31 H 0.432676 0.653844 1.028871 0.055 Uiso 1 1 calc R U . . .
C52 C 0.3057(4) 0.2820(2) 0.9233(4) 0.0541(9) Uani 1 1 d . U . . .
C2 C -0.0867(3) 0.59720(19) 0.2953(4) 0.0444(8) Uani 1 1 d . U . . .
H2 H -0.154367 0.593902 0.319855 0.053 Uiso 1 1 calc R U . . .
C36 C 0.1799(3) 0.59180(19) 0.7832(3) 0.0368(7) Uani 1 1 d . U . . .
H36 H 0.102590 0.613733 0.716865 0.044 Uiso 1 1 calc R U . . .
C53 C 0.1789(4) 0.3048(2) 0.8934(4) 0.0529(9) Uani 1 1 d . U . . .
H53 H 0.153876 0.316062 0.957352 0.063 Uiso 1 1 calc R U . . .
C54 C 0.0945(4) 0.3104(2) 0.7743(4) 0.0546(9) Uani 1 1 d . U . . .
H54 H 0.010283 0.325808 0.755592 0.065 Uiso 1 1 calc R U . . .
C56 C 0.2483(4) 0.2717(2) 0.7045(4) 0.0568(10) Uani 1 1 d . U . . .
H56 H 0.272902 0.260641 0.640252 0.068 Uiso 1 1 calc R U . . .
C33 C 0.2609(4) 0.64988(19) 0.8703(4) 0.0478(8) Uani 1 1 d . U . . .
H33A H 0.211207 0.674462 0.908623 0.057 Uiso 1 1 calc R U . . .
H33B H 0.285826 0.685390 0.823627 0.057 Uiso 1 1 calc R U . . .
C55 C 0.1274(4) 0.2940(2) 0.6767(4) 0.0560(10) Uani 1 1 d . U . . .
H55 H 0.066681 0.298448 0.593311 0.067 Uiso 1 1 calc R U . . .
C51 C 0.3977(6) 0.2787(3) 1.0521(5) 0.0779(15) Uani 1 1 d . U . . .
H51A H 0.362204 0.301948 1.103829 0.117 Uiso 1 1 calc R U . . .
H51B H 0.476122 0.303105 1.061998 0.117 Uiso 1 1 calc R U . . .
H51C H 0.416820 0.228920 1.077261 0.117 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'
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
C41 P1 Si1 106.20(8) . . ?
C38 P1 Si1 110.35(8) . . ?
C38 P1 C41 111.36(11) . . ?
P1 Si1 C7 107.64(6) . . ?
N2 Si1 P1 93.64(7) . . ?
N2 Si1 C7 33.34(9) . . ?
N1 Si1 P1 116.64(7) . . ?
N1 Si1 N2 67.95(9) . . ?
N1 Si1 C7 34.61(9) . . ?
N1 Si1 C16 107.57(11) . . ?
C16 Si1 P1 118.81(8) . . ?
C16 Si1 N2 143.00(10) . . ?
C16 Si1 C7 132.04(10) . . ?
C24 Si1 P1 118.96(8) . . ?
C24 Si1 N2 106.94(10) . . ?
C24 Si1 N1 124.39(11) . . ?
C24 Si1 C7 121.01(10) . . ?
C24 Si1 C16 43.30(11) . . ?
C7 N2 Si1 89.88(16) . . ?
C7 N2 C8 129.4(2) . . ?
C8 N2 Si1 140.16(16) . . ?
C7 N1 Si1 94.38(15) . . ?
C7 N1 C12 128.5(2) . . ?
C12 N1 Si1 133.86(17) . . ?
N2 C7 Si1 56.78(12) . . ?
N2 C7 N1 107.8(2) . . ?
N2 C7 C6 127.3(2) . . ?
N1 C7 Si1 51.01(12) . . ?
N1 C7 C6 124.8(2) . . ?
C6 C7 Si1 175.11(19) . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
C17 C16 Si1 161.7(2) . . ?
C24 C16 Si1 66.43(14) . . ?
C24 C16 C17 131.1(2) . . ?
C18 C17 C16 121.2(2) . . ?
C22 C17 C16 121.0(2) . . ?
C22 C17 C18 117.7(3) . . ?
C5 C6 C7 120.8(3) . . ?
C5 C6 C1 119.5(3) . . ?
C1 C6 C7 119.7(2) . . ?
C26 C25 C24 120.9(2) . . ?
C26 C25 C23 117.8(2) . . ?
C23 C25 C24 121.3(2) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 C17 121.3(3) . . ?
C19 C18 H18 119.3 . . ?
C25 C26 H26 119.3 . . ?
C27 C26 C25 121.4(3) . . ?
C27 C26 H26 119.3 . . ?
C42 C41 P1 108.88(16) . . ?
C42 C41 C49 107.6(2) . . ?
C49 C41 P1 104.17(15) . . ?
C50 C41 P1 119.10(17) . . ?
C50 C41 C42 108.1(2) . . ?
C50 C41 C49 108.5(2) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 108.1 . . ?
C43 C42 C41 110.8(2) . . ?
C43 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
C41 C49 H49A 109.4 . . ?
C41 C49 H49B 109.4 . . ?
H49A C49 H49B 108.0 . . ?
C46 C49 C41 111.4(2) . . ?
C46 C49 H49A 109.4 . . ?
C46 C49 H49B 109.4 . . ?
C17 C22 H22 119.4 . . ?
C17 C22 C21 121.2(3) . . ?
C21 C22 H22 119.4 . . ?
C40 C38 P1 105.90(16) . . ?
C40 C38 C37 105.7(2) . . ?
C39 C38 P1 118.02(18) . . ?
C39 C38 C40 109.3(2) . . ?
C39 C38 C37 109.5(2) . . ?
C37 C38 P1 107.61(18) . . ?
N2 C8 C9 107.4(2) . . ?
N2 C8 C11 110.9(2) . . ?
N2 C8 C10 110.9(2) . . ?
C9 C8 C11 108.3(2) . . ?
C9 C8 C10 108.6(2) . . ?
C10 C8 C11 110.6(2) . . ?
C49 C46 H46 109.7 . . ?
C49 C46 C44 108.7(2) . . ?
C47 C46 C49 109.7(2) . . ?
C47 C46 H46 109.7 . . ?
C47 C46 C44 109.4(2) . . ?
C44 C46 H46 109.7 . . ?
N1 C12 C13 107.7(2) . . ?
N1 C12 C15 113.0(2) . . ?
N1 C12 C14 109.3(2) . . ?
C13 C12 C15 107.1(2) . . ?
C14 C12 C13 109.4(2) . . ?
C14 C12 C15 110.3(3) . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(3) . . ?
C20 C19 H19 119.9 . . ?
C42 C43 H43 109.3 . . ?
C45 C43 C42 108.6(2) . . ?
C45 C43 H43 109.3 . . ?
C44 C43 C42 110.2(2) . . ?
C44 C43 H43 109.3 . . ?
C44 C43 C45 110.2(2) . . ?
C46 C47 H47A 109.7 . . ?
C46 C47 H47B 109.7 . . ?
H47A C47 H47B 108.2 . . ?
C48 C47 C46 109.8(2) . . ?
C48 C47 H47A 109.7 . . ?
C48 C47 H47B 109.7 . . ?
C6 C5 H5 120.2 . . ?
C6 C5 C4 119.5(3) . . ?
C4 C5 H5 120.2 . . ?
C43 C45 H45A 109.8 . . ?
C43 C45 H45B 109.8 . . ?
H45A C45 H45B 108.3 . . ?
C48 C45 C43 109.3(2) . . ?
C48 C45 H45A 109.8 . . ?
C48 C45 H45B 109.8 . . ?
C38 C40 H40A 109.4 . . ?
C38 C40 H40B 109.4 . . ?
C38 C40 C36 111.3(2) . . ?
H40A C40 H40B 108.0 . . ?
C36 C40 H40A 109.4 . . ?
C36 C40 H40B 109.4 . . ?
C46 C44 H44A 109.9 . . ?
C46 C44 H44B 109.9 . . ?
C43 C44 C46 108.9(2) . . ?
C43 C44 H44A 109.9 . . ?
C43 C44 H44B 109.9 . . ?
H44A C44 H44B 108.3 . . ?
C16 C24 Si1 70.28(15) . . ?
C16 C24 C25 134.3(2) . . ?
C25 C24 Si1 155.4(2) . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C41 C50 H50A 109.6 . . ?
C41 C50 H50B 109.6 . . ?
H50A C50 H50B 108.2 . . ?
C48 C50 C41 110.1(2) . . ?
C48 C50 H50A 109.6 . . ?
C48 C50 H50B 109.6 . . ?
C52 C57 H57 118.0 . . ?
C56 C57 H57 118.0 . . ?
C56 C57 C52 124.0(4) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C6 C1 H1 119.9 . . ?
C2 C1 C6 120.2(3) . . ?
C2 C1 H1 119.9 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C47 C48 C45 109.3(2) . . ?
C47 C48 C50 109.9(2) . . ?
C47 C48 H48 109.2 . . ?
C45 C48 C50 110.0(2) . . ?
C45 C48 H48 109.2 . . ?
C50 C48 H48 109.2 . . ?
C38 C39 H39A 109.7 . . ?
C38 C39 H39B 109.7 . . ?
C38 C39 C31 109.9(2) . . ?
H39A C39 H39B 108.2 . . ?
C31 C39 H39A 109.7 . . ?
C31 C39 H39B 109.7 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
C34 C37 C38 110.5(3) . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.5(3) . . ?
C21 C20 H20 120.3 . . ?
C22 C21 H21 119.9 . . ?
C20 C21 C22 120.1(3) . . ?
C20 C21 H21 119.9 . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.5(3) . . ?
C29 C28 H28 120.3 . . ?
C25 C23 H23 119.7 . . ?
C29 C23 C25 120.5(3) . . ?
C29 C23 H23 119.7 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.5(3) . . ?
C3 C4 H4 119.7 . . ?
C37 C34 H34 109.3 . . ?
C35 C34 C37 109.8(3) . . ?
C35 C34 H34 109.3 . . ?
C35 C34 C32 110.4(3) . . ?
C32 C34 C37 108.8(3) . . ?
C32 C34 H34 109.3 . . ?
C34 C35 H35A 109.9 . . ?
C34 C35 H35B 109.9 . . ?
C34 C35 C36 108.8(3) . . ?
H35A C35 H35B 108.3 . . ?
C36 C35 H35A 109.9 . . ?
C36 C35 H35B 109.9 . . ?
C34 C32 H32A 109.8 . . ?
C34 C32 H32B 109.8 . . ?
C34 C32 C31 109.3(3) . . ?
H32A C32 H32B 108.3 . . ?
C31 C32 H32A 109.8 . . ?
C31 C32 H32B 109.8 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C28 C29 C23 120.6(3) . . ?
C28 C29 H29 119.7 . . ?
C23 C29 H29 119.7 . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0(3) . . ?
C2 C3 H3 120.0 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C39 C31 H31 109.3 . . ?
C32 C31 C39 109.3(3) . . ?
C32 C31 H31 109.3 . . ?
C32 C31 C33 109.4(3) . . ?
C33 C31 C39 110.1(3) . . ?
C33 C31 H31 109.3 . . ?
C57 C52 C53 115.9(4) . . ?
C57 C52 C51 124.6(4) . . ?
C53 C52 C51 119.5(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 H2 119.8 . . ?
C40 C36 H36 109.3 . . ?
C35 C36 C40 109.9(3) . . ?
C35 C36 H36 109.3 . . ?
C35 C36 C33 110.0(3) . . ?
C33 C36 C40 108.9(3) . . ?
C33 C36 H36 109.3 . . ?
C52 C53 H53 120.1 . . ?
C54 C53 C52 119.8(4) . . ?
C54 C53 H53 120.1 . . ?
C53 C54 H54 119.0 . . ?
C53 C54 C55 121.9(4) . . ?
C55 C54 H54 119.0 . . ?
C57 C56 H56 120.2 . . ?
C57 C56 C55 119.7(4) . . ?
C55 C56 H56 120.2 . . ?
C31 C33 H33A 109.9 . . ?
C31 C33 H33B 109.9 . . ?
C36 C33 C31 109.1(3) . . ?
C36 C33 H33A 109.9 . . ?
C36 C33 H33B 109.9 . . ?
H33A C33 H33B 108.3 . . ?
C54 C55 H55 120.7 . . ?
C56 C55 C54 118.6(4) . . ?
C56 C55 H55 120.7 . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 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 Si1 2.3158(9) . ?
P1 C41 1.900(2) . ?
P1 C38 1.895(2) . ?
Si1 N2 1.993(2) . ?
Si1 N1 1.857(2) . ?
Si1 C7 2.382(2) . ?
Si1 C16 1.870(3) . ?
Si1 C24 1.821(3) . ?
N2 C7 1.310(3) . ?
N2 C8 1.480(3) . ?
N1 C7 1.357(3) . ?
N1 C12 1.486(3) . ?
C7 C6 1.496(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C8 1.526(4) . ?
C16 C17 1.472(3) . ?
C16 C24 1.362(4) . ?
C17 C18 1.396(4) . ?
C17 C22 1.392(4) . ?
C6 C5 1.382(4) . ?
C6 C1 1.391(4) . ?
C25 C26 1.394(4) . ?
C25 C24 1.469(3) . ?
C25 C23 1.398(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.380(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.387(4) . ?
C41 C42 1.545(3) . ?
C41 C49 1.545(3) . ?
C41 C50 1.544(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.542(4) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C46 1.538(3) . ?
C22 H22 0.9500 . ?
C22 C21 1.392(4) . ?
C38 C40 1.538(3) . ?
C38 C39 1.524(4) . ?
C38 C37 1.551(4) . ?
C8 C11 1.537(4) . ?
C8 C10 1.532(4) . ?
C46 H46 1.0000 . ?
C46 C47 1.530(4) . ?
C46 C44 1.538(4) . ?
C12 C13 1.532(4) . ?
C12 C15 1.536(4) . ?
C12 C14 1.529(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(5) . ?
C43 H43 1.0000 . ?
C43 C45 1.531(4) . ?
C43 C44 1.528(4) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.522(4) . ?
C5 H5 0.9500 . ?
C5 C4 1.398(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C48 1.529(4) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C36 1.538(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C28 1.376(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C48 1.542(3) . ?
C57 H57 0.9500 . ?
C57 C52 1.392(6) . ?
C57 C56 1.347(6) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C1 H1 0.9500 . ?
C1 C2 1.385(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C48 H48 1.0000 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C31 1.541(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C34 1.545(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.381(5) . ?
C21 H21 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.381(5) . ?
C23 H23 0.9500 . ?
C23 C29 1.391(4) . ?
C4 H4 0.9500 . ?
C4 C3 1.373(6) . ?
C34 H34 1.0000 . ?
C34 C35 1.517(5) . ?
C34 C32 1.526(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.518(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C31 1.533(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C29 H29 0.9500 . ?
C3 H3 0.9500 . ?
C3 C2 1.373(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C31 H31 1.0000 . ?
C31 C33 1.533(5) . ?
C52 C53 1.425(6) . ?
C52 C51 1.457(6) . ?
C2 H2 0.9500 . ?
C36 H36 1.0000 . ?
C36 C33 1.527(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.348(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.409(6) . ?
C56 H56 0.9500 . ?
C56 C55 1.363(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C55 H55 0.9500 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 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 Si1 N1 C7 -82.53(15) . . . . ?
P1 Si1 N1 C12 117.4(2) . . . . ?
P1 Si1 C16 C17 -92.5(6) . . . . ?
P1 Si1 C16 C24 102.83(14) . . . . ?
P1 Si1 C24 C16 -102.47(14) . . . . ?
P1 Si1 C24 C25 75.9(5) . . . . ?
P1 C41 C42 C43 169.81(18) . . . . ?
P1 C41 C49 C46 -174.51(19) . . . . ?
P1 C41 C50 C48 -176.98(17) . . . . ?
P1 C38 C40 C36 173.9(2) . . . . ?
P1 C38 C39 C31 178.5(2) . . . . ?
P1 C38 C37 C34 -172.7(2) . . . . ?
Si1 P1 C38 C40 51.54(19) . . . . ?
Si1 P1 C38 C39 -71.3(2) . . . . ?
Si1 P1 C38 C37 164.23(15) . . . . ?
Si1 N2 C7 N1 0.27(19) . . . . ?
Si1 N2 C7 C6 -176.7(2) . . . . ?
Si1 N2 C8 C9 -12.7(4) . . . . ?
Si1 N2 C8 C11 -130.8(2) . . . . ?
Si1 N2 C8 C10 105.9(3) . . . . ?
Si1 N1 C7 N2 -0.3(2) . . . . ?
Si1 N1 C7 C6 176.7(2) . . . . ?
Si1 N1 C12 C13 -41.7(3) . . . . ?
Si1 N1 C12 C15 -159.7(2) . . . . ?
Si1 N1 C12 C14 77.0(3) . . . . ?
Si1 C16 C17 C18 -128.3(5) . . . . ?
Si1 C16 C17 C22 50.0(7) . . . . ?
Si1 C16 C24 C25 -179.1(3) . . . . ?
N2 Si1 N1 C7 0.19(14) . . . . ?
N2 Si1 N1 C12 -159.8(3) . . . . ?
N2 Si1 C16 C17 119.3(6) . . . . ?
N2 Si1 C16 C24 -45.4(2) . . . . ?
N2 Si1 C24 C16 153.39(14) . . . . ?
N2 Si1 C24 C25 -28.2(5) . . . . ?
N2 C7 C6 C5 -91.2(3) . . . . ?
N2 C7 C6 C1 89.7(3) . . . . ?
N1 Si1 C16 C17 42.8(6) . . . . ?
N1 Si1 C16 C24 -121.86(15) . . . . ?
N1 Si1 C24 C16 78.87(17) . . . . ?
N1 Si1 C24 C25 -102.7(5) . . . . ?
N1 C7 C6 C5 92.3(3) . . . . ?
N1 C7 C6 C1 -86.8(3) . . . . ?
C7 Si1 N1 C12 -160.0(3) . . . . ?
C7 Si1 C16 C17 71.6(6) . . . . ?
C7 Si1 C16 C24 -93.13(18) . . . . ?
C7 Si1 C24 C16 120.09(15) . . . . ?
C7 Si1 C24 C25 -61.5(5) . . . . ?
C7 N2 C8 C9 178.6(2) . . . . ?
C7 N2 C8 C11 60.5(3) . . . . ?
C7 N2 C8 C10 -62.8(3) . . . . ?
C7 N1 C12 C13 164.1(2) . . . . ?
C7 N1 C12 C15 46.1(4) . . . . ?
C7 N1 C12 C14 -77.2(3) . . . . ?
C7 C6 C5 C4 -179.3(3) . . . . ?
C7 C6 C1 C2 179.6(3) . . . . ?
C16 Si1 N1 C7 141.05(15) . . . . ?
C16 Si1 N1 C12 -19.0(3) . . . . ?
C16 Si1 C24 C25 178.4(5) . . . . ?
C16 C17 C18 C19 -179.8(3) . . . . ?
C16 C17 C22 C21 179.5(3) . . . . ?
C17 C16 C24 Si1 -173.7(3) . . . . ?
C17 C16 C24 C25 7.3(5) . . . . ?
C17 C18 C19 C20 -0.4(5) . . . . ?
C17 C22 C21 C20 1.0(5) . . . . ?
C6 C5 C4 C3 0.0(5) . . . . ?
C6 C1 C2 C3 -0.6(5) . . . . ?
C25 C26 C27 C28 1.2(5) . . . . ?
C25 C23 C29 C28 -0.3(5) . . . . ?
C18 C17 C22 C21 -2.1(4) . . . . ?
C18 C19 C20 C21 -0.8(5) . . . . ?
C26 C25 C24 Si1 -135.7(4) . . . . ?
C26 C25 C24 C16 42.2(4) . . . . ?
C26 C25 C23 C29 0.8(5) . . . . ?
C26 C27 C28 C29 -0.7(5) . . . . ?
C41 P1 C38 C40 169.23(17) . . . . ?
C41 P1 C38 C39 46.4(2) . . . . ?
C41 P1 C38 C37 -78.1(2) . . . . ?
C41 C42 C43 C45 61.0(3) . . . . ?
C41 C42 C43 C44 -59.7(3) . . . . ?
C41 C49 C46 C47 -58.3(3) . . . . ?
C41 C49 C46 C44 61.3(3) . . . . ?
C41 C50 C48 C47 60.5(3) . . . . ?
C41 C50 C48 C45 -59.9(3) . . . . ?
C42 C41 C49 C46 -59.1(3) . . . . ?
C42 C41 C50 C48 58.2(3) . . . . ?
C42 C43 C45 C48 -60.7(3) . . . . ?
C42 C43 C44 C46 60.2(3) . . . . ?
C49 C41 C42 C43 57.5(3) . . . . ?
C49 C41 C50 C48 -58.2(3) . . . . ?
C49 C46 C47 C48 58.8(3) . . . . ?
C49 C46 C44 C43 -60.5(3) . . . . ?
C22 C17 C18 C19 1.8(4) . . . . ?
C38 C40 C36 C35 -61.3(3) . . . . ?
C38 C40 C36 C33 59.2(3) . . . . ?
C38 C39 C31 C32 60.5(3) . . . . ?
C38 C39 C31 C33 -59.8(4) . . . . ?
C38 C37 C34 C35 61.8(4) . . . . ?
C38 C37 C34 C32 -59.1(3) . . . . ?
C8 N2 C7 Si1 172.8(3) . . . . ?
C8 N2 C7 N1 173.1(2) . . . . ?
C8 N2 C7 C6 -3.9(4) . . . . ?
C46 C47 C48 C45 60.6(3) . . . . ?
C46 C47 C48 C50 -60.2(3) . . . . ?
C12 N1 C7 Si1 161.7(3) . . . . ?
C12 N1 C7 N2 161.4(2) . . . . ?
C12 N1 C7 C6 -21.6(4) . . . . ?
C19 C20 C21 C22 0.5(5) . . . . ?
C43 C45 C48 C47 -60.0(3) . . . . ?
C43 C45 C48 C50 60.8(3) . . . . ?
C47 C46 C44 C43 59.4(3) . . . . ?
C5 C6 C1 C2 0.5(4) . . . . ?
C5 C4 C3 C2 -0.1(5) . . . . ?
C45 C43 C44 C46 -59.6(3) . . . . ?
C40 C38 C39 C31 57.4(3) . . . . ?
C40 C38 C37 C34 -59.9(3) . . . . ?
C40 C36 C33 C31 -59.8(3) . . . . ?
C44 C46 C47 C48 -60.4(3) . . . . ?
C44 C43 C45 C48 60.1(3) . . . . ?
C24 Si1 N1 C7 96.15(18) . . . . ?
C24 Si1 N1 C12 -63.9(3) . . . . ?
C24 Si1 C16 C17 164.7(7) . . . . ?
C24 C16 C17 C18 33.0(4) . . . . ?
C24 C16 C17 C22 -148.7(3) . . . . ?
C24 C25 C26 C27 176.9(3) . . . . ?
C24 C25 C23 C29 -177.4(3) . . . . ?
C27 C28 C29 C23 0.2(6) . . . . ?
C50 C41 C42 C43 -59.5(3) . . . . ?
C50 C41 C49 C46 57.7(3) . . . . ?
C57 C52 C53 C54 -1.1(6) . . . . ?
C57 C56 C55 C54 0.4(6) . . . . ?
C1 C6 C5 C4 -0.1(4) . . . . ?
C39 C38 C40 C36 -58.0(3) . . . . ?
C39 C38 C37 C34 57.8(3) . . . . ?
C39 C31 C33 C36 60.8(4) . . . . ?
C37 C38 C40 C36 59.8(3) . . . . ?
C37 C38 C39 C31 -58.0(3) . . . . ?
C37 C34 C35 C36 -59.7(4) . . . . ?
C37 C34 C32 C31 61.0(4) . . . . ?
C23 C25 C26 C27 -1.3(4) . . . . ?
C23 C25 C24 Si1 42.5(6) . . . . ?
C23 C25 C24 C16 -139.6(3) . . . . ?
C4 C3 C2 C1 0.4(5) . . . . ?
C34 C35 C36 C40 59.2(4) . . . . ?
C34 C35 C36 C33 -60.7(3) . . . . ?
C34 C32 C31 C39 -61.9(4) . . . . ?
C34 C32 C31 C33 58.8(4) . . . . ?
C35 C34 C32 C31 -59.5(3) . . . . ?
C35 C36 C33 C31 60.7(3) . . . . ?
C32 C34 C35 C36 60.2(3) . . . . ?
C32 C31 C33 C36 -59.4(3) . . . . ?
C52 C57 C56 C55 -1.4(6) . . . . ?
C52 C53 C54 C55 0.2(6) . . . . ?
C53 C54 C55 C56 0.2(6) . . . . ?
C56 C57 C52 C53 1.8(6) . . . . ?
C56 C57 C52 C51 -176.9(4) . . . . ?
C51 C52 C53 C54 177.6(4) . . . . ?
