#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:31:55 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293079 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/62/7716222.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_7716222
loop_
_publ_author_name
'Liu, Chenghuan'
'Schmidtmann, Marc'
'Müller, Thomas'
_publ_section_title
;
 A Bis(silylene)silole - synthesis, properties and reactivity.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10446
_journal_page_last               10452
_journal_paper_doi               10.1039/d4dt01112k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_structural
'SiC4(C6H5)2(Si(CH3)3)2(SiSe(C15H23N2))2 *4C4H8O'
_chemical_formula_sum            'C68 H106 N4 O4 Se2 Si5'
_chemical_formula_weight         1341.93
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-05 deposited with the CCDC.	2024-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.6421(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3426(6)
_cell_length_b                   23.7190(10)
_cell_length_c                   22.8201(9)
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.04
_cell_measurement_theta_min      2.39
_cell_volume                     7140.0(5)
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Photon III CPAD'
_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     0.0186
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            355149
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.032
_diffrn_reflns_theta_min         1.246
_diffrn_source                   'I\mS microfocus'
_exptl_absorpt_coefficient_mu    1.167
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 (Sheldrick)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_description       block
_exptl_crystal_F_000             2848
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.372
_refine_diff_density_min         -1.026
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     809
_refine_ls_number_reflns         24852
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0450P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0996
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21221
_reflns_number_total             24852
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01112k3.cif
_cod_data_source_block           lch0923
_cod_depositor_comments
'Adding full bibliography for 7716218--7716222.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7716222
_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_min   0.863
_shelx_estimated_absorpt_t_max   0.912
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Se1 Se 0.49309(2) 0.34877(2) 0.37918(2) 0.02630(4) Uani 1 1 d . . . . .
Se2 Se 0.52615(2) 0.13179(2) 0.54624(2) 0.02824(4) Uani 1 1 d . . . . .
Si1 Si 0.66279(3) 0.22871(2) 0.44951(2) 0.01398(6) Uani 1 1 d . . . . .
Si2 Si 0.66845(3) 0.23447(2) 0.29984(2) 0.01661(7) Uani 1 1 d . . . . .
Si3 Si 0.81163(3) 0.21396(2) 0.58407(2) 0.01681(7) Uani 1 1 d . . . . .
Si4 Si 0.59269(3) 0.32111(2) 0.45591(2) 0.01672(7) Uani 1 1 d . . . . .
Si5 Si 0.55912(3) 0.14754(2) 0.45911(2) 0.01822(7) Uani 1 1 d . . . . .
N1 N 0.69210(9) 0.37076(5) 0.48868(5) 0.0193(2) Uani 1 1 d . . . . .
N2 N 0.56116(8) 0.34659(5) 0.52705(5) 0.01733(19) Uani 1 1 d . . . . .
N3 N 0.45736(8) 0.13021(5) 0.39822(5) 0.0193(2) Uani 1 1 d . . . . .
N4 N 0.60004(9) 0.08736(5) 0.41727(6) 0.0256(2) Uani 1 1 d . . . . .
C1 C 0.72499(9) 0.23011(5) 0.38041(5) 0.0158(2) Uani 1 1 d . . . . .
C2 C 0.82591(9) 0.22194(5) 0.39983(5) 0.0158(2) Uani 1 1 d . . . . .
C3 C 0.85892(9) 0.21480(5) 0.46503(5) 0.0164(2) Uani 1 1 d . . . . .
C4 C 0.78601(9) 0.21706(5) 0.50083(5) 0.0154(2) Uani 1 1 d . . . . .
C5 C 0.90362(9) 0.21915(6) 0.35917(6) 0.0179(2) Uani 1 1 d . . . . .
C6 C 0.95287(11) 0.16861(7) 0.35068(6) 0.0231(3) Uani 1 1 d . . . . .
H6 H 0.941037 0.136386 0.373389 0.028 Uiso 1 1 calc R U . . .
C7 C 1.01926(12) 0.16495(7) 0.30921(7) 0.0280(3) Uani 1 1 d . . . . .
H7 H 1.050857 0.130035 0.302920 0.034 Uiso 1 1 calc R U . . .
C8 C 1.03935(12) 0.21219(8) 0.27707(7) 0.0288(3) Uani 1 1 d . . . . .
H8 H 1.084641 0.209699 0.248787 0.035 Uiso 1 1 calc R U . . .
C9 C 0.99322(12) 0.26288(7) 0.28636(7) 0.0267(3) Uani 1 1 d . . . . .
H9 H 1.007630 0.295431 0.264850 0.032 Uiso 1 1 calc R U . . .
C10 C 0.92547(11) 0.26640(6) 0.32727(6) 0.0215(2) Uani 1 1 d . . . . .
H10 H 0.894001 0.301394 0.333372 0.026 Uiso 1 1 calc R U . . .
C11 C 0.96925(10) 0.20644(6) 0.48682(6) 0.0190(2) Uani 1 1 d . . . . .
C12 C 1.00544(11) 0.15538(7) 0.51181(6) 0.0233(3) Uani 1 1 d . . . . .
H12 H 0.959761 0.125085 0.514439 0.028 Uiso 1 1 calc R U . . .
C13 C 1.10858(12) 0.14849(8) 0.53305(7) 0.0295(3) Uani 1 1 d . . . . .
H13 H 1.132644 0.113549 0.550007 0.035 Uiso 1 1 calc R U . . .
C14 C 1.17569(11) 0.19233(8) 0.52946(7) 0.0314(3) Uani 1 1 d . . . . .
H14 H 1.245707 0.187583 0.544027 0.038 Uiso 1 1 calc R U . . .
C15 C 1.14048(11) 0.24320(8) 0.50454(7) 0.0296(3) Uani 1 1 d . . . . .
H15 H 1.186445 0.273428 0.502258 0.035 Uiso 1 1 calc R U . . .
C16 C 1.03804(10) 0.25020(7) 0.48284(6) 0.0240(3) Uani 1 1 d . . . . .
H16 H 1.014709 0.284993 0.465193 0.029 Uiso 1 1 calc R U . . .
C17 C 0.53108(11) 0.21649(7) 0.29134(6) 0.0235(3) Uani 1 1 d . . . . .
H17A H 0.522688 0.179585 0.309288 0.035 Uiso 1 1 calc R U . . .
H17B H 0.503052 0.215256 0.249129 0.035 Uiso 1 1 calc R U . . .
H17C H 0.495264 0.245181 0.311137 0.035 Uiso 1 1 calc R U . . .
C18 C 0.72802(11) 0.17984(6) 0.25670(6) 0.0229(3) Uani 1 1 d . . . . .
H18A H 0.736520 0.144706 0.279504 0.034 Uiso 1 1 calc R U . . .
H18B H 0.794391 0.193246 0.249183 0.034 Uiso 1 1 calc R U . . .
H18C H 0.684292 0.173021 0.218877 0.034 Uiso 1 1 calc R U . . .
C19 C 0.67846(12) 0.30631(6) 0.26699(6) 0.0241(3) Uani 1 1 d . . . . .
H19A H 0.637579 0.307651 0.227567 0.036 Uiso 1 1 calc R U . . .
H19B H 0.749460 0.314234 0.263638 0.036 Uiso 1 1 calc R U . . .
H19C H 0.653570 0.334611 0.292590 0.036 Uiso 1 1 calc R U . . .
C20 C 0.70376(11) 0.24807(6) 0.61303(6) 0.0220(2) Uani 1 1 d . . . . .
H20A H 0.696211 0.286902 0.598361 0.033 Uiso 1 1 calc R U . . .
H20B H 0.716773 0.248310 0.656450 0.033 Uiso 1 1 calc R U . . .
H20C H 0.641373 0.226996 0.599551 0.033 Uiso 1 1 calc R U . . .
C21 C 0.82175(13) 0.14051(7) 0.61382(7) 0.0265(3) Uani 1 1 d . . . . .
H21A H 0.758343 0.120273 0.600607 0.040 Uiso 1 1 calc R U . . .
H21B H 0.834313 0.141675 0.657228 0.040 Uiso 1 1 calc R U . . .
H21C H 0.877899 0.121046 0.599223 0.040 Uiso 1 1 calc R U . . .
C22 C 0.92957(12) 0.25365(8) 0.61447(7) 0.0293(3) Uani 1 1 d . . . . .
H22A H 0.989192 0.231992 0.607476 0.044 Uiso 1 1 calc R U . . .
H22B H 0.931550 0.259395 0.657152 0.044 Uiso 1 1 calc R U . . .
H22C H 0.929600 0.290307 0.594656 0.044 Uiso 1 1 calc R U . . .
C23 C 0.64122(10) 0.38124(5) 0.53392(6) 0.0176(2) Uani 1 1 d . . . . .
C24 C 0.66926(11) 0.42234(6) 0.58292(6) 0.0202(2) Uani 1 1 d . . . . .
C25 C 0.73969(12) 0.40706(6) 0.63171(7) 0.0254(3) Uani 1 1 d . . . . .
H25 H 0.771929 0.371289 0.632661 0.030 Uiso 1 1 calc R U . . .
C26 C 0.76286(16) 0.44413(8) 0.67905(7) 0.0368(4) Uani 1 1 d . . . . .
H26 H 0.810744 0.433668 0.712392 0.044 Uiso 1 1 calc R U . . .
C27 C 0.71584(18) 0.49644(8) 0.67747(9) 0.0430(5) Uani 1 1 d . . . . .
H27 H 0.730713 0.521499 0.710097 0.052 Uiso 1 1 calc R U . . .
C28 C 0.64759(16) 0.51215(7) 0.62868(9) 0.0391(4) Uani 1 1 d . . . . .
H28 H 0.616681 0.548300 0.627503 0.047 Uiso 1 1 calc R U . . .
C29 C 0.62381(13) 0.47528(6) 0.58118(8) 0.0288(3) Uani 1 1 d . . . . .
H29 H 0.576704 0.486202 0.547669 0.035 Uiso 1 1 calc R U . . .
C30 C 0.77519(12) 0.40276(6) 0.46800(6) 0.0233(3) Uani 1 1 d . . . . .
C31A C 0.8057(2) 0.36976(12) 0.41663(13) 0.0319(5) Uani 0.828(6) 1 d . . P A 1
H31A H 0.834094 0.333314 0.430936 0.048 Uiso 0.828(6) 1 calc R U P A 1
H31B H 0.856664 0.391063 0.399083 0.048 Uiso 0.828(6) 1 calc R U P A 1
H31C H 0.745985 0.363556 0.386645 0.048 Uiso 0.828(6) 1 calc R U P A 1
C31B C 0.7812(11) 0.3833(6) 0.4043(6) 0.032(3) Uiso 0.172(6) 1 d . . P A 2
H31D H 0.786537 0.342115 0.403376 0.048 Uiso 0.172(6) 1 calc R U P A 2
H31E H 0.840849 0.400109 0.390858 0.048 Uiso 0.172(6) 1 calc R U P A 2
H31F H 0.719898 0.395294 0.378053 0.048 Uiso 0.172(6) 1 calc R U P A 2
C32A C 0.86537(16) 0.41095(11) 0.51558(10) 0.0342(6) Uani 0.828(6) 1 d . . P A 1
H32A H 0.846440 0.435528 0.546660 0.051 Uiso 0.828(6) 1 calc R U P A 1
H32B H 0.920813 0.428322 0.498297 0.051 Uiso 0.828(6) 1 calc R U P A 1
H32C H 0.887489 0.374318 0.532735 0.051 Uiso 0.828(6) 1 calc R U P A 1
C32B C 0.8767(8) 0.3788(5) 0.5094(5) 0.034(2) Uiso 0.172(6) 1 d . . P A 2
H32D H 0.879824 0.393597 0.549755 0.051 Uiso 0.172(6) 1 calc R U P A 2
H32E H 0.936991 0.390954 0.492984 0.051 Uiso 0.172(6) 1 calc R U P A 2
H32F H 0.874347 0.337538 0.510377 0.051 Uiso 0.172(6) 1 calc R U P A 2
C33A C 0.7307(2) 0.46021(9) 0.44437(12) 0.0379(6) Uani 0.828(6) 1 d . . P A 1
H33A H 0.670121 0.453760 0.415092 0.057 Uiso 0.828(6) 1 calc R U P A 1
H33B H 0.781348 0.480689 0.425726 0.057 Uiso 0.828(6) 1 calc R U P A 1
H33C H 0.712430 0.482501 0.477354 0.057 Uiso 0.828(6) 1 calc R U P A 1
C33B C 0.7760(9) 0.4652(5) 0.4726(6) 0.034(2) Uiso 0.172(6) 1 d . . P A 2
H33D H 0.709267 0.479996 0.455775 0.051 Uiso 0.172(6) 1 calc R U P A 2
H33E H 0.827625 0.480587 0.450789 0.051 Uiso 0.172(6) 1 calc R U P A 2
H33F H 0.791503 0.476201 0.514407 0.051 Uiso 0.172(6) 1 calc R U P A 2
C34 C 0.46975(10) 0.34547(6) 0.55712(6) 0.0194(2) Uani 1 1 d . . . . .
C35 C 0.41464(11) 0.29085(7) 0.53712(7) 0.0264(3) Uani 1 1 d . . . . .
H35A H 0.394722 0.291482 0.494004 0.040 Uiso 1 1 calc R U . . .
H35B H 0.354027 0.287245 0.556347 0.040 Uiso 1 1 calc R U . . .
H35C H 0.459749 0.258738 0.548161 0.040 Uiso 1 1 calc R U . . .
C36 C 0.40137(12) 0.39563(8) 0.53556(8) 0.0309(3) Uani 1 1 d . . . . .
H36A H 0.432849 0.430629 0.552103 0.046 Uiso 1 1 calc R U . . .
H36B H 0.335178 0.390909 0.548620 0.046 Uiso 1 1 calc R U . . .
H36C H 0.392403 0.397390 0.492178 0.046 Uiso 1 1 calc R U . . .
C37 C 0.49561(11) 0.34584(7) 0.62466(6) 0.0238(3) Uani 1 1 d . . . . .
H37A H 0.539823 0.313790 0.637570 0.036 Uiso 1 1 calc R U . . .
H37B H 0.433075 0.342902 0.642147 0.036 Uiso 1 1 calc R U . . .
H37C H 0.530518 0.381057 0.637574 0.036 Uiso 1 1 calc R U . . .
C38 C 0.50981(10) 0.08590(6) 0.38269(6) 0.0208(2) Uani 1 1 d . . . . .
C39 C 0.47542(10) 0.04348(6) 0.33590(6) 0.0218(2) Uani 1 1 d . . . . .
C40 C 0.42757(11) -0.00569(6) 0.35012(7) 0.0246(3) Uani 1 1 d . . . . .
H40 H 0.416029 -0.012158 0.389640 0.029 Uiso 1 1 calc R U . . .
C41 C 0.39672(13) -0.04531(7) 0.30622(8) 0.0290(3) Uani 1 1 d . . . . .
H41 H 0.363771 -0.078842 0.315803 0.035 Uiso 1 1 calc R U . . .
C42 C 0.41379(13) -0.03615(7) 0.24853(8) 0.0314(3) Uani 1 1 d . . . . .
H42 H 0.392954 -0.063471 0.218742 0.038 Uiso 1 1 calc R U . . .
C43 C 0.46127(14) 0.01291(7) 0.23434(8) 0.0324(3) Uani 1 1 d . . . . .
H43 H 0.472634 0.019263 0.194761 0.039 Uiso 1 1 calc R U . . .
C44 C 0.49224(13) 0.05277(7) 0.27785(7) 0.0287(3) Uani 1 1 d . . . . .
H44 H 0.524857 0.086347 0.268072 0.034 Uiso 1 1 calc R U . . .
C45 C 0.34702(10) 0.14285(6) 0.38467(6) 0.0216(2) Uani 1 1 d . . . . .
C46 C 0.33472(11) 0.20298(7) 0.40612(7) 0.0258(3) Uani 1 1 d . . . . .
H46A H 0.374176 0.228741 0.384949 0.039 Uiso 1 1 calc R U . . .
H46B H 0.359086 0.205195 0.448760 0.039 Uiso 1 1 calc R U . . .
H46C H 0.262983 0.213643 0.398427 0.039 Uiso 1 1 calc R U . . .
C47 C 0.28878(12) 0.10225(7) 0.41967(8) 0.0290(3) Uani 1 1 d . . . . .
H47A H 0.216740 0.112333 0.413427 0.043 Uiso 1 1 calc R U . . .
H47B H 0.315665 0.104904 0.461973 0.043 Uiso 1 1 calc R U . . .
H47C H 0.296766 0.063578 0.405965 0.043 Uiso 1 1 calc R U . . .
C48 C 0.30715(11) 0.13871(8) 0.31846(7) 0.0297(3) Uani 1 1 d . . . . .
H48A H 0.236885 0.152070 0.310979 0.045 Uiso 1 1 calc R U . . .
H48B H 0.309878 0.099376 0.305643 0.045 Uiso 1 1 calc R U . . .
H48C H 0.349107 0.162023 0.296286 0.045 Uiso 1 1 calc R U . . .
C49 C 0.68689(11) 0.04774(6) 0.42179(7) 0.0247(3) Uani 1 1 d . . . . .
C50A C 0.7778(2) 0.07771(13) 0.45325(17) 0.0310(8) Uani 0.555(6) 1 d . . P B 1
H50A H 0.764323 0.090118 0.492283 0.047 Uiso 0.555(6) 1 calc R U P B 1
H50B H 0.792607 0.110567 0.429968 0.047 Uiso 0.555(6) 1 calc R U P B 1
H50C H 0.836098 0.052103 0.458149 0.047 Uiso 0.555(6) 1 calc R U P B 1
C50B C 0.7528(3) 0.06101(18) 0.4852(2) 0.0356(12) Uani 0.445(6) 1 d . . P B 2
H50D H 0.714044 0.050424 0.516780 0.053 Uiso 0.445(6) 1 calc R U P B 2
H50E H 0.768565 0.101360 0.488078 0.053 Uiso 0.445(6) 1 calc R U P B 2
H50F H 0.816016 0.039319 0.489541 0.053 Uiso 0.445(6) 1 calc R U P B 2
C51A C 0.7147(3) 0.03133(18) 0.35806(16) 0.0373(9) Uani 0.555(6) 1 d . . P B 1
H51A H 0.775451 0.007554 0.363111 0.056 Uiso 0.555(6) 1 calc R U P B 1
H51B H 0.727629 0.065733 0.336613 0.056 Uiso 0.555(6) 1 calc R U P B 1
H51C H 0.658028 0.010677 0.335468 0.056 Uiso 0.555(6) 1 calc R U P B 1
C51B C 0.7452(3) 0.0606(2) 0.3752(2) 0.0392(13) Uani 0.445(6) 1 d . . P B 2
H51D H 0.808233 0.038703 0.381181 0.059 Uiso 0.445(6) 1 calc R U P B 2
H51E H 0.761234 0.100897 0.376006 0.059 Uiso 0.445(6) 1 calc R U P B 2
H51F H 0.705766 0.050800 0.336801 0.059 Uiso 0.445(6) 1 calc R U P B 2
C52A C 0.6601(4) -0.0039(2) 0.4518(3) 0.0409(11) Uani 0.555(6) 1 d . . P B 1
H52A H 0.720189 -0.027898 0.460914 0.061 Uiso 0.555(6) 1 calc R U P B 1
H52B H 0.607162 -0.024367 0.425768 0.061 Uiso 0.555(6) 1 calc R U P B 1
H52C H 0.635021 0.006191 0.488629 0.061 Uiso 0.555(6) 1 calc R U P B 1
C52B C 0.6571(4) -0.0144(2) 0.4258(3) 0.0334(11) Uani 0.445(6) 1 d . . P B 2
H52D H 0.718277 -0.037310 0.436454 0.050 Uiso 0.445(6) 1 calc R U P B 2
H52E H 0.621054 -0.026897 0.387385 0.050 Uiso 0.445(6) 1 calc R U P B 2
H52F H 0.612882 -0.018828 0.456131 0.050 Uiso 0.445(6) 1 calc R U P B 2
O1 O 1.03497(16) 0.03512(8) 0.60535(11) 0.0728(6) Uani 1 1 d . . . . .
C53 C 0.9584(3) -0.00756(12) 0.60345(17) 0.0774(9) Uani 1 1 d . . . . .
H53A H 0.988797 -0.045405 0.601097 0.093 Uiso 1 1 calc R U . . .
H53B H 0.906128 -0.002190 0.568210 0.093 Uiso 1 1 calc R U . . .
C54 C 0.91218(19) -0.00250(9) 0.65840(11) 0.0520(5) Uani 1 1 d . . . . .
H54A H 0.890882 -0.039713 0.671830 0.062 Uiso 1 1 calc R U . . .
H54B H 0.853091 0.023235 0.652791 0.062 Uiso 1 1 calc R U . . .
C55 C 0.9974(4) 0.0214(2) 0.70082(18) 0.146(3) Uani 1 1 d . . . . .
H55A H 0.971261 0.045080 0.730898 0.175 Uiso 1 1 calc R U . . .
H55B H 1.039512 -0.009132 0.721324 0.175 Uiso 1 1 calc R U . . .
C56 C 1.0577(2) 0.05600(14) 0.66426(17) 0.0777(10) Uani 1 1 d . . . . .
H56A H 1.038694 0.096268 0.665762 0.093 Uiso 1 1 calc R U . . .
H56B H 1.131037 0.052260 0.679007 0.093 Uiso 1 1 calc R U . . .
O2 O 0.27125(17) 0.37927(8) 0.23946(12) 0.0768(6) Uani 1 1 d . . . . .
C57 C 0.2512(2) 0.32168(13) 0.24804(17) 0.0748(9) Uani 1 1 d . . . . .
H57A H 0.177527 0.315659 0.246758 0.090 Uiso 1 1 calc R U . . .
H57B H 0.286315 0.309095 0.287174 0.090 Uiso 1 1 calc R U . . .
C58 C 0.2882(2) 0.28926(11) 0.20033(12) 0.0556(6) Uani 1 1 d . . . . .
H58A H 0.234739 0.285124 0.165479 0.067 Uiso 1 1 calc R U . . .
H58B H 0.312404 0.251427 0.214275 0.067 Uiso 1 1 calc R U . . .
C59 C 0.3749(2) 0.32588(16) 0.18610(16) 0.0767(9) Uani 1 1 d . . . . .
H59A H 0.439852 0.315235 0.210503 0.092 Uiso 1 1 calc R U . . .
H59B H 0.382135 0.323368 0.143632 0.092 Uiso 1 1 calc R U . . .
C60 C 0.3432(3) 0.38102(16) 0.2011(3) 0.124(2) Uani 1 1 d . . . . .
H60A H 0.402950 0.402602 0.219892 0.149 Uiso 1 1 calc R U . . .
H60B H 0.314152 0.401027 0.164321 0.149 Uiso 1 1 calc R U . . .
O3 O 1.08670(13) 0.42976(8) 0.70752(8) 0.0558(4) Uani 1 1 d . . . . .
C61 C 1.0529(2) 0.39850(11) 0.65518(12) 0.0595(6) Uani 1 1 d . . . . .
H61A H 1.015503 0.423546 0.624739 0.071 Uiso 1 1 calc R U . . .
H61B H 1.006462 0.368117 0.663924 0.071 Uiso 1 1 calc R U . . .
C62 C 1.1430(3) 0.37346(17) 0.63240(17) 0.0869(11) Uani 1 1 d . . . . .
H62A H 1.135249 0.375295 0.588610 0.104 Uiso 1 1 calc R U . . .
H62B H 1.154058 0.333802 0.645277 0.104 Uiso 1 1 calc R U . . .
C63 C 1.2317(2) 0.41265(12) 0.66199(10) 0.0554(6) Uani 1 1 d . . . . .
H63A H 1.282222 0.391114 0.689399 0.066 Uiso 1 1 calc R U . . .
H63B H 1.266117 0.431353 0.631726 0.066 Uiso 1 1 calc R U . . .
C64 C 1.17616(18) 0.45525(11) 0.69534(11) 0.0497(5) Uani 1 1 d . . . . .
H64A H 1.219200 0.466347 0.732735 0.060 Uiso 1 1 calc R U . . .
H64B H 1.159935 0.489475 0.670921 0.060 Uiso 1 1 calc R U . . .
O4A O 1.1369(2) 0.37309(14) 0.45446(13) 0.0439(8) Uiso 0.537(5) 1 d . . P C 1
C65A C 1.1342(3) 0.43296(18) 0.45363(18) 0.0402(9) Uiso 0.537(5) 1 d . . P C 1
H65A H 1.203841 0.448495 0.458511 0.048 Uiso 0.537(5) 1 calc R U P C 1
H65B H 1.099836 0.447390 0.486138 0.048 Uiso 0.537(5) 1 calc R U P C 1
C66A C 1.0764(3) 0.44957(17) 0.39448(19) 0.0368(8) Uiso 0.537(5) 1 d . . P C 1
H66A H 1.103422 0.484824 0.379640 0.044 Uiso 0.537(5) 1 calc R U P C 1
H66B H 1.003327 0.454389 0.396479 0.044 Uiso 0.537(5) 1 calc R U P C 1
C67A C 1.0956(5) 0.3980(3) 0.3550(3) 0.0445(14) Uiso 0.537(5) 1 d . . P C 1
H67A H 1.030897 0.380134 0.337577 0.053 Uiso 0.537(5) 1 calc R U P C 1
H67B H 1.132982 0.409524 0.322638 0.053 Uiso 0.537(5) 1 calc R U P C 1
C68A C 1.1579(4) 0.3586(2) 0.3970(2) 0.0401(11) Uiso 0.537(5) 1 d . . P C 1
H68A H 1.138680 0.318951 0.387468 0.048 Uiso 0.537(5) 1 calc R U P C 1
H68B H 1.230919 0.363345 0.394751 0.048 Uiso 0.537(5) 1 calc R U P C 1
O4B O 1.0548(4) 0.43892(19) 0.4331(2) 0.0673(14) Uiso 0.463(5) 1 d . . P C 2
C65B C 1.0558(5) 0.4526(3) 0.3728(3) 0.0539(14) Uiso 0.463(5) 1 d . . P C 2
H65C H 1.103104 0.484206 0.369664 0.065 Uiso 0.463(5) 1 calc R U P C 2
H65D H 0.987225 0.464151 0.353926 0.065 Uiso 0.463(5) 1 calc R U P C 2
C66B C 1.0883(5) 0.4029(3) 0.3432(3) 0.0459(17) Uiso 0.463(5) 1 d . . P C 2
H66C H 1.126855 0.413966 0.311206 0.055 Uiso 0.463(5) 1 calc R U P C 2
H66D H 1.028963 0.380175 0.325773 0.055 Uiso 0.463(5) 1 calc R U P C 2
C67B C 1.1537(6) 0.3702(4) 0.3899(4) 0.058(2) Uiso 0.463(5) 1 d . . P C 2
H67C H 1.225382 0.370358 0.383318 0.069 Uiso 0.463(5) 1 calc R U P C 2
H67D H 1.130055 0.330810 0.391778 0.069 Uiso 0.463(5) 1 calc R U P C 2
C68B C 1.1394(5) 0.4038(4) 0.4467(3) 0.0660(16) Uiso 0.463(5) 1 d . . P C 2
H68C H 1.128944 0.377414 0.478866 0.079 Uiso 0.463(5) 1 calc R U P C 2
H68D H 1.200535 0.426674 0.460307 0.079 Uiso 0.463(5) 1 calc R U P C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
C1 Si1 C4 93.98(5) . . ?
C1 Si1 Si4 105.02(4) . . ?
C4 Si1 Si4 114.02(4) . . ?
C1 Si1 Si5 114.96(4) . . ?
C4 Si1 Si5 106.60(4) . . ?
Si4 Si1 Si5 119.514(19) . . ?
C17 Si2 C19 107.13(7) . . ?
C17 Si2 C18 105.97(7) . . ?
C19 Si2 C18 110.91(7) . . ?
C17 Si2 C1 109.43(6) . . ?
C19 Si2 C1 113.48(6) . . ?
C18 Si2 C1 109.61(6) . . ?
C20 Si3 C21 107.14(7) . . ?
C20 Si3 C22 107.57(7) . . ?
C21 Si3 C22 108.85(8) . . ?
C20 Si3 C4 108.03(6) . . ?
C21 Si3 C4 113.32(7) . . ?
C22 Si3 C4 111.67(6) . . ?
N2 Si4 N1 71.25(5) . . ?
N2 Si4 Se1 115.21(4) . . ?
N1 Si4 Se1 117.18(4) . . ?
N2 Si4 C23 35.62(5) . . ?
N1 Si4 C23 35.72(5) . . ?
Se1 Si4 C23 120.85(4) . . ?
N2 Si4 Si1 119.84(4) . . ?
N1 Si4 Si1 110.18(4) . . ?
Se1 Si4 Si1 115.555(18) . . ?
C23 Si4 Si1 123.24(4) . . ?
N3 Si5 N4 71.22(5) . . ?
N3 Si5 Se2 115.68(4) . . ?
N4 Si5 Se2 117.74(5) . . ?
N3 Si5 C38 35.70(5) . . ?
N4 Si5 C38 35.63(5) . . ?
Se2 Si5 C38 121.40(4) . . ?
N3 Si5 Si1 118.74(4) . . ?
N4 Si5 Si1 110.73(5) . . ?
Se2 Si5 Si1 115.348(19) . . ?
C38 Si5 Si1 123.03(4) . . ?
C23 N1 C30 129.89(12) . . ?
C23 N1 Si4 90.80(9) . . ?
C30 N1 Si4 136.55(10) . . ?
C23 N2 C34 130.75(11) . . ?
C23 N2 Si4 91.19(8) . . ?
C34 N2 Si4 135.54(9) . . ?
C38 N3 C45 129.99(12) . . ?
C38 N3 Si5 91.12(9) . . ?
C45 N3 Si5 135.02(9) . . ?
C38 N4 C49 130.49(12) . . ?
C38 N4 Si5 90.87(9) . . ?
C49 N4 Si5 137.98(10) . . ?
C2 C1 Si2 123.72(9) . . ?
C2 C1 Si1 105.19(9) . . ?
Si2 C1 Si1 130.87(7) . . ?
C1 C2 C5 123.18(11) . . ?
C1 C2 C3 117.83(11) . . ?
C5 C2 C3 118.99(11) . . ?
C4 C3 C11 124.20(11) . . ?
C4 C3 C2 117.51(11) . . ?
C11 C3 C2 118.29(10) . . ?
C3 C4 Si3 124.52(9) . . ?
C3 C4 Si1 105.49(9) . . ?
Si3 C4 Si1 129.86(7) . . ?
C10 C5 C6 118.66(12) . . ?
C10 C5 C2 120.61(12) . . ?
C6 C5 C2 120.68(12) . . ?
C7 C6 C5 120.61(14) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C6 120.14(14) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C9 C8 C7 119.73(13) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 120.19(14) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C5 C10 C9 120.63(14) . . ?
C5 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C12 C11 C16 118.78(13) . . ?
C12 C11 C3 120.99(12) . . ?
C16 C11 C3 120.23(13) . . ?
C11 C12 C13 120.39(14) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C14 C13 C12 120.27(15) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 119.77(14) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C14 C15 C16 120.28(15) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 120.51(15) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3 C20 H20A 109.5 . . ?
Si3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si3 C21 H21A 109.5 . . ?
Si3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si3 C22 H22A 109.5 . . ?
Si3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 N1 106.48(11) . . ?
N2 C23 C24 126.61(12) . . ?
N1 C23 C24 126.90(12) . . ?
N2 C23 Si4 53.19(7) . . ?
N1 C23 Si4 53.48(7) . . ?
C24 C23 Si4 177.17(10) . . ?
C29 C24 C25 119.75(14) . . ?
C29 C24 C23 120.66(13) . . ?
C25 C24 C23 119.56(12) . . ?
C26 C25 C24 120.05(15) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C27 C26 C25 119.86(18) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C28 C27 C26 120.22(16) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 120.29(17) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C28 C29 C24 119.80(17) . . ?
C28 C29 H29 120.1 . . ?
C24 C29 H29 120.1 . . ?
N1 C30 C33B 119.1(4) . . ?
N1 C30 C32A 113.08(13) . . ?
N1 C30 C31A 106.45(13) . . ?
C32A C30 C31A 110.24(18) . . ?
N1 C30 C31B 107.2(6) . . ?
C33B C30 C31B 111.4(7) . . ?
N1 C30 C33A 107.20(14) . . ?
C32A C30 C33A 111.09(17) . . ?
C31A C30 C33A 108.56(18) . . ?
N1 C30 C32B 103.5(4) . . ?
C33B C30 C32B 108.0(6) . . ?
C31B C30 C32B 106.6(6) . . ?
C30 C31A H31A 109.5 . . ?
C30 C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
C30 C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
C30 C31B H31D 109.5 . . ?
C30 C31B H31E 109.5 . . ?
H31D C31B H31E 109.5 . . ?
C30 C31B H31F 109.5 . . ?
H31D C31B H31F 109.5 . . ?
H31E C31B H31F 109.5 . . ?
C30 C32A H32A 109.5 . . ?
C30 C32A H32B 109.5 . . ?
H32A C32A H32B 109.5 . . ?
C30 C32A H32C 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
C30 C32B H32D 109.5 . . ?
C30 C32B H32E 109.5 . . ?
H32D C32B H32E 109.5 . . ?
C30 C32B H32F 109.5 . . ?
H32D C32B H32F 109.5 . . ?
H32E C32B H32F 109.5 . . ?
C30 C33A H33A 109.5 . . ?
C30 C33A H33B 109.5 . . ?
H33A C33A H33B 109.5 . . ?
C30 C33A H33C 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
C30 C33B H33D 109.5 . . ?
C30 C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
C30 C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
N2 C34 C35 105.61(11) . . ?
N2 C34 C37 112.89(11) . . ?
C35 C34 C37 109.41(12) . . ?
N2 C34 C36 109.12(11) . . ?
C35 C34 C36 109.01(13) . . ?
C37 C34 C36 110.63(12) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N4 C38 N3 106.47(12) . . ?
N4 C38 C39 126.44(13) . . ?
N3 C38 C39 127.09(13) . . ?
N4 C38 Si5 53.50(7) . . ?
N3 C38 Si5 53.18(7) . . ?
C39 C38 Si5 176.34(11) . . ?
C40 C39 C44 119.95(13) . . ?
C40 C39 C38 120.15(13) . . ?
C44 C39 C38 119.90(13) . . ?
C41 C40 C39 119.70(14) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C42 C41 C40 120.34(15) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C43 C42 C41 119.96(15) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 120.13(15) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C39 119.93(15) . . ?
C43 C44 H44 120.0 . . ?
C39 C44 H44 120.0 . . ?
N3 C45 C46 105.81(11) . . ?
N3 C45 C48 112.27(11) . . ?
C46 C45 C48 109.84(13) . . ?
N3 C45 C47 109.13(12) . . ?
C46 C45 C47 109.42(12) . . ?
C48 C45 C47 110.25(12) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51B C49 N4 108.5(2) . . ?
C52A C49 N4 108.5(2) . . ?
C52A C49 C50A 114.1(3) . . ?
N4 C49 C50A 107.54(15) . . ?
C51B C49 C52B 114.9(3) . . ?
N4 C49 C52B 114.0(2) . . ?
C52A C49 C51A 109.0(3) . . ?
N4 C49 C51A 112.07(17) . . ?
C50A C49 C51A 105.7(2) . . ?
C51B C49 C50B 109.9(3) . . ?
N4 C49 C50B 104.74(17) . . ?
C52B C49 C50B 104.2(3) . . ?
C49 C50A H50A 109.5 . . ?
C49 C50A H50B 109.5 . . ?
H50A C50A H50B 109.5 . . ?
C49 C50A H50C 109.5 . . ?
H50A C50A H50C 109.5 . . ?
H50B C50A H50C 109.5 . . ?
C49 C50B H50D 109.5 . . ?
C49 C50B H50E 109.5 . . ?
H50D C50B H50E 109.5 . . ?
C49 C50B H50F 109.5 . . ?
H50D C50B H50F 109.5 . . ?
H50E C50B H50F 109.5 . . ?
C49 C51A H51A 109.5 . . ?
C49 C51A H51B 109.5 . . ?
H51A C51A H51B 109.5 . . ?
C49 C51A H51C 109.5 . . ?
H51A C51A H51C 109.5 . . ?
H51B C51A H51C 109.5 . . ?
C49 C51B H51D 109.5 . . ?
C49 C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
C49 C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
C49 C52A H52A 109.5 . . ?
C49 C52A H52B 109.5 . . ?
H52A C52A H52B 109.5 . . ?
C49 C52A H52C 109.5 . . ?
H52A C52A H52C 109.5 . . ?
H52B C52A H52C 109.5 . . ?
C49 C52B H52D 109.5 . . ?
C49 C52B H52E 109.5 . . ?
H52D C52B H52E 109.5 . . ?
C49 C52B H52F 109.5 . . ?
H52D C52B H52F 109.5 . . ?
H52E C52B H52F 109.5 . . ?
C56 O1 C53 108.9(2) . . ?
O1 C53 C54 107.6(2) . . ?
O1 C53 H53A 110.2 . . ?
C54 C53 H53A 110.2 . . ?
O1 C53 H53B 110.2 . . ?
C54 C53 H53B 110.2 . . ?
H53A C53 H53B 108.5 . . ?
C53 C54 C55 101.9(3) . . ?
C53 C54 H54A 111.4 . . ?
C55 C54 H54A 111.4 . . ?
C53 C54 H54B 111.4 . . ?
C55 C54 H54B 111.4 . . ?
H54A C54 H54B 109.2 . . ?
C56 C55 C54 105.6(3) . . ?
C56 C55 H55A 110.6 . . ?
C54 C55 H55A 110.6 . . ?
C56 C55 H55B 110.6 . . ?
C54 C55 H55B 110.6 . . ?
H55A C55 H55B 108.7 . . ?
O1 C56 C55 106.3(3) . . ?
O1 C56 H56A 110.5 . . ?
C55 C56 H56A 110.5 . . ?
O1 C56 H56B 110.5 . . ?
C55 C56 H56B 110.5 . . ?
H56A C56 H56B 108.7 . . ?
C60 O2 C57 106.2(2) . . ?
O2 C57 C58 108.1(2) . . ?
O2 C57 H57A 110.1 . . ?
C58 C57 H57A 110.1 . . ?
O2 C57 H57B 110.1 . . ?
C58 C57 H57B 110.1 . . ?
H57A C57 H57B 108.4 . . ?
C57 C58 C59 102.1(2) . . ?
C57 C58 H58A 111.4 . . ?
C59 C58 H58A 111.4 . . ?
C57 C58 H58B 111.4 . . ?
C59 C58 H58B 111.4 . . ?
H58A C58 H58B 109.2 . . ?
C60 C59 C58 102.1(2) . . ?
C60 C59 H59A 111.4 . . ?
C58 C59 H59A 111.4 . . ?
C60 C59 H59B 111.4 . . ?
C58 C59 H59B 111.4 . . ?
H59A C59 H59B 109.2 . . ?
O2 C60 C59 112.3(3) . . ?
O2 C60 H60A 109.2 . . ?
C59 C60 H60A 109.2 . . ?
O2 C60 H60B 109.2 . . ?
C59 C60 H60B 109.2 . . ?
H60A C60 H60B 107.9 . . ?
C64 O3 C61 103.3(2) . . ?
O3 C61 C62 109.1(2) . . ?
O3 C61 H61A 109.9 . . ?
C62 C61 H61A 109.9 . . ?
O3 C61 H61B 109.9 . . ?
C62 C61 H61B 109.9 . . ?
H61A C61 H61B 108.3 . . ?
C61 C62 C63 102.0(2) . . ?
C61 C62 H62A 111.4 . . ?
C63 C62 H62A 111.4 . . ?
C61 C62 H62B 111.4 . . ?
C63 C62 H62B 111.4 . . ?
H62A C62 H62B 109.2 . . ?
C64 C63 C62 102.4(2) . . ?
C64 C63 H63A 111.3 . . ?
C62 C63 H63A 111.3 . . ?
C64 C63 H63B 111.3 . . ?
C62 C63 H63B 111.3 . . ?
H63A C63 H63B 109.2 . . ?
O3 C64 C63 107.8(2) . . ?
O3 C64 H64A 110.1 . . ?
C63 C64 H64A 110.1 . . ?
O3 C64 H64B 110.1 . . ?
C63 C64 H64B 110.1 . . ?
H64A C64 H64B 108.5 . . ?
C65A O4A C68A 103.7(4) . . ?
O4A C65A C66A 106.4(3) . . ?
O4A C65A H65A 110.4 . . ?
C66A C65A H65A 110.4 . . ?
O4A C65A H65B 110.4 . . ?
C66A C65A H65B 110.4 . . ?
H65A C65A H65B 108.6 . . ?
C65A C66A C67A 101.9(4) . . ?
C65A C66A H66A 111.4 . . ?
C67A C66A H66A 111.4 . . ?
C65A C66A H66B 111.4 . . ?
C67A C66A H66B 111.4 . . ?
H66A C66A H66B 109.3 . . ?
C68A C67A C66A 104.1(5) . . ?
C68A C67A H67A 110.9 . . ?
C66A C67A H67A 110.9 . . ?
C68A C67A H67B 110.9 . . ?
C66A C67A H67B 110.9 . . ?
H67A C67A H67B 109.0 . . ?
O4A C68A C67A 105.8(4) . . ?
O4A C68A H68A 110.6 . . ?
C67A C68A H68A 110.6 . . ?
O4A C68A H68B 110.6 . . ?
C67A C68A H68B 110.6 . . ?
H68A C68A H68B 108.7 . . ?
C68B O4B C65B 103.1(5) . . ?
O4B C65B C66B 108.2(5) . . ?
O4B C65B H65C 110.1 . . ?
C66B C65B H65C 110.1 . . ?
O4B C65B H65D 110.1 . . ?
C66B C65B H65D 110.1 . . ?
H65C C65B H65D 108.4 . . ?
C65B C66B C67B 105.8(6) . . ?
C65B C66B H66C 110.6 . . ?
C67B C66B H66C 110.6 . . ?
C65B C66B H66D 110.6 . . ?
C67B C66B H66D 110.6 . . ?
H66C C66B H66D 108.7 . . ?
C66B C67B C68B 101.4(6) . . ?
C66B C67B H67C 111.5 . . ?
C68B C67B H67C 111.5 . . ?
C66B C67B H67D 111.5 . . ?
C68B C67B H67D 111.5 . . ?
H67C C67B H67D 109.3 . . ?
O4B C68B C67B 108.3(6) . . ?
O4B C68B H68C 110.0 . . ?
C67B C68B H68C 110.0 . . ?
O4B C68B H68D 110.0 . . ?
C67B C68B H68D 110.0 . . ?
H68C C68B H68D 108.4 . . ?
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
Se1 Si4 2.1361(4) . ?
Se2 Si5 2.1329(4) . ?
Si1 C1 1.8892(12) . ?
Si1 C4 1.8901(13) . ?
Si1 Si4 2.3961(5) . ?
Si1 Si5 2.3997(5) . ?
Si2 C17 1.8632(15) . ?
Si2 C19 1.8745(15) . ?
Si2 C18 1.8748(14) . ?
Si2 C1 1.8825(13) . ?
Si3 C20 1.8569(14) . ?
Si3 C21 1.8672(15) . ?
Si3 C22 1.8750(16) . ?
Si3 C4 1.8802(12) . ?
Si4 N2 1.8392(11) . ?
Si4 N1 1.8459(13) . ?
Si4 C23 2.2967(14) . ?
Si5 N3 1.8375(12) . ?
Si5 N4 1.8450(13) . ?
Si5 C38 2.2949(14) . ?
N1 C23 1.3412(16) . ?
N1 C30 1.4782(18) . ?
N2 C23 1.3380(17) . ?
N2 C34 1.4869(17) . ?
N3 C38 1.3395(18) . ?
N3 C45 1.4887(18) . ?
N4 C38 1.3369(18) . ?
N4 C49 1.4835(18) . ?
C1 C2 1.3667(17) . ?
C2 C5 1.4931(17) . ?
C2 C3 1.4965(17) . ?
C3 C4 1.3623(17) . ?
C3 C11 1.4945(18) . ?
C5 C10 1.3910(19) . ?
C5 C6 1.3944(19) . ?
C6 C7 1.393(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.387(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.381(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.3960(19) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.394(2) . ?
C11 C16 1.398(2) . ?
C12 C13 1.398(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.383(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.386(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(2) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.4885(19) . ?
C24 C29 1.392(2) . ?
C24 C25 1.393(2) . ?
C25 C26 1.391(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.379(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.392(2) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C33B 1.485(11) . ?
C30 C32A 1.507(3) . ?
C30 C31A 1.515(3) . ?
C30 C31B 1.539(14) . ?
C30 C33A 1.551(3) . ?
C30 C32B 1.633(11) . ?
C31A H31A 0.9800 . ?
C31A H31B 0.9800 . ?
C31A H31C 0.9800 . ?
C31B H31D 0.9800 . ?
C31B H31E 0.9800 . ?
C31B H31F 0.9800 . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C32B H32D 0.9800 . ?
C32B H32E 0.9800 . ?
C32B H32F 0.9800 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34 C35 1.525(2) . ?
C34 C37 1.5279(19) . ?
C34 C36 1.535(2) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.4886(19) . ?
C39 C40 1.391(2) . ?
C39 C44 1.394(2) . ?
C40 C41 1.390(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.387(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.386(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.388(2) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.525(2) . ?
C45 C48 1.528(2) . ?
C45 C47 1.535(2) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51B 1.441(4) . ?
C49 C52A 1.473(5) . ?
C49 C50A 1.493(3) . ?
C49 C52B 1.534(5) . ?
C49 C51A 1.602(4) . ?
C49 C50B 1.608(4) . ?
C50A H50A 0.9800 . ?
C50A H50B 0.9800 . ?
C50A H50C 0.9800 . ?
C50B H50D 0.9800 . ?
C50B H50E 0.9800 . ?
C50B H50F 0.9800 . ?
C51A H51A 0.9800 . ?
C51A H51B 0.9800 . ?
C51A H51C 0.9800 . ?
C51B H51D 0.9800 . ?
C51B H51E 0.9800 . ?
C51B H51F 0.9800 . ?
C52A H52A 0.9800 . ?
C52A H52B 0.9800 . ?
C52A H52C 0.9800 . ?
C52B H52D 0.9800 . ?
C52B H52E 0.9800 . ?
C52B H52F 0.9800 . ?
O1 C56 1.422(4) . ?
O1 C53 1.435(3) . ?
C53 C54 1.483(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.490(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.489(5) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
O2 C60 1.394(5) . ?
O2 C57 1.411(4) . ?
C57 C58 1.476(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.520(4) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.432(5) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
O3 C64 1.403(3) . ?
O3 C61 1.421(3) . ?
C61 C62 1.502(4) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.575(5) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.523(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
O4A C65A 1.421(5) . ?
O4A C68A 1.423(6) . ?
C65A C66A 1.503(6) . ?
C65A H65A 0.9900 . ?
C65A H65B 0.9900 . ?
C66A C67A 1.563(7) . ?
C66A H66A 0.9900 . ?
C66A H66B 0.9900 . ?
C67A C68A 1.497(8) . ?
C67A H67A 0.9900 . ?
C67A H67B 0.9900 . ?
C68A H68A 0.9900 . ?
C68A H68B 0.9900 . ?
O4B C68B 1.400(8) . ?
O4B C65B 1.415(8) . ?
C65B C66B 1.456(9) . ?
C65B H65C 0.9900 . ?
C65B H65D 0.9900 . ?
C66B C67B 1.489(10) . ?
C66B H66C 0.9900 . ?
C66B H66D 0.9900 . ?
C67B C68B 1.558(11) . ?
C67B H67C 0.9900 . ?
C67B H67D 0.9900 . ?
C68B H68C 0.9900 . ?
C68B H68D 0.9900 . ?
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
N2 Si4 N1 C23 -3.49(8) . . . . ?
Se1 Si4 N1 C23 105.86(7) . . . . ?
Si1 Si4 N1 C23 -119.28(7) . . . . ?
N2 Si4 N1 C30 -164.80(15) . . . . ?
Se1 Si4 N1 C30 -55.45(15) . . . . ?
C23 Si4 N1 C30 -161.31(18) . . . . ?
Si1 Si4 N1 C30 79.41(14) . . . . ?
N1 Si4 N2 C23 3.50(8) . . . . ?
Se1 Si4 N2 C23 -108.43(7) . . . . ?
Si1 Si4 N2 C23 106.51(7) . . . . ?
N1 Si4 N2 C34 165.91(14) . . . . ?
Se1 Si4 N2 C34 53.98(13) . . . . ?
C23 Si4 N2 C34 162.41(17) . . . . ?
Si1 Si4 N2 C34 -91.07(13) . . . . ?
N4 Si5 N3 C38 3.70(9) . . . . ?
Se2 Si5 N3 C38 -108.76(8) . . . . ?
Si1 Si5 N3 C38 107.57(8) . . . . ?
N4 Si5 N3 C45 161.96(15) . . . . ?
Se2 Si5 N3 C45 49.50(14) . . . . ?
C38 Si5 N3 C45 158.27(18) . . . . ?
Si1 Si5 N3 C45 -94.16(13) . . . . ?
N3 Si5 N4 C38 -3.70(9) . . . . ?
Se2 Si5 N4 C38 106.07(9) . . . . ?
Si1 Si5 N4 C38 -118.18(8) . . . . ?
N3 Si5 N4 C49 -174.47(18) . . . . ?
Se2 Si5 N4 C49 -64.70(17) . . . . ?
C38 Si5 N4 C49 -170.8(2) . . . . ?
Si1 Si5 N4 C49 71.05(17) . . . . ?
C17 Si2 C1 C2 157.09(11) . . . . ?
C19 Si2 C1 C2 -83.33(13) . . . . ?
C18 Si2 C1 C2 41.27(13) . . . . ?
C17 Si2 C1 Si1 -16.60(11) . . . . ?
C19 Si2 C1 Si1 102.98(10) . . . . ?
C18 Si2 C1 Si1 -132.42(9) . . . . ?
C4 Si1 C1 C2 0.37(10) . . . . ?
Si4 Si1 C1 C2 116.55(8) . . . . ?
Si5 Si1 C1 C2 -110.02(9) . . . . ?
C4 Si1 C1 Si2 174.93(9) . . . . ?
Si4 Si1 C1 Si2 -68.89(9) . . . . ?
Si5 Si1 C1 Si2 64.54(10) . . . . ?
Si2 C1 C2 C5 3.95(19) . . . . ?
Si1 C1 C2 C5 179.01(10) . . . . ?
Si2 C1 C2 C3 -175.26(9) . . . . ?
Si1 C1 C2 C3 -0.20(14) . . . . ?
C1 C2 C3 C4 -0.17(18) . . . . ?
C5 C2 C3 C4 -179.41(12) . . . . ?
C1 C2 C3 C11 -179.37(12) . . . . ?
C5 C2 C3 C11 1.39(18) . . . . ?
C11 C3 C4 Si3 3.41(19) . . . . ?
C2 C3 C4 Si3 -175.74(9) . . . . ?
C11 C3 C4 Si1 179.58(11) . . . . ?
C2 C3 C4 Si1 0.43(14) . . . . ?
C20 Si3 C4 C3 156.17(12) . . . . ?
C21 Si3 C4 C3 -85.29(13) . . . . ?
C22 Si3 C4 C3 38.07(14) . . . . ?
C20 Si3 C4 Si1 -19.02(11) . . . . ?
C21 Si3 C4 Si1 99.52(10) . . . . ?
C22 Si3 C4 Si1 -137.12(10) . . . . ?
C1 Si1 C4 C3 -0.45(10) . . . . ?
Si4 Si1 C4 C3 -108.85(9) . . . . ?
Si5 Si1 C4 C3 117.07(8) . . . . ?
C1 Si1 C4 Si3 175.44(9) . . . . ?
Si4 Si1 C4 Si3 67.04(9) . . . . ?
Si5 Si1 C4 Si3 -67.04(9) . . . . ?
C1 C2 C5 C10 66.37(18) . . . . ?
C3 C2 C5 C10 -114.43(14) . . . . ?
C1 C2 C5 C6 -111.14(16) . . . . ?
C3 C2 C5 C6 68.06(17) . . . . ?
C10 C5 C6 C7 -2.8(2) . . . . ?
C2 C5 C6 C7 174.81(13) . . . . ?
C5 C6 C7 C8 1.9(2) . . . . ?
C6 C7 C8 C9 0.0(2) . . . . ?
C7 C8 C9 C10 -1.0(2) . . . . ?
C6 C5 C10 C9 1.8(2) . . . . ?
C2 C5 C10 C9 -175.78(13) . . . . ?
C8 C9 C10 C5 0.1(2) . . . . ?
C4 C3 C11 C12 67.98(19) . . . . ?
C2 C3 C11 C12 -112.87(14) . . . . ?
C4 C3 C11 C16 -111.50(16) . . . . ?
C2 C3 C11 C16 67.65(17) . . . . ?
C16 C11 C12 C13 0.7(2) . . . . ?
C3 C11 C12 C13 -178.79(13) . . . . ?
C11 C12 C13 C14 0.0(2) . . . . ?
C12 C13 C14 C15 -0.2(2) . . . . ?
C13 C14 C15 C16 -0.4(2) . . . . ?
C14 C15 C16 C11 1.1(2) . . . . ?
C12 C11 C16 C15 -1.3(2) . . . . ?
C3 C11 C16 C15 178.23(13) . . . . ?
C34 N2 C23 N1 -168.53(12) . . . . ?
Si4 N2 C23 N1 -4.76(10) . . . . ?
C34 N2 C23 C24 12.7(2) . . . . ?
Si4 N2 C23 C24 176.48(12) . . . . ?
C34 N2 C23 Si4 -163.78(16) . . . . ?
C30 N1 C23 N2 168.05(13) . . . . ?
Si4 N1 C23 N2 4.74(10) . . . . ?
C30 N1 C23 C24 -13.2(2) . . . . ?
Si4 N1 C23 C24 -176.50(12) . . . . ?
C30 N1 C23 Si4 163.31(17) . . . . ?
N2 C23 C24 C29 -82.48(18) . . . . ?
N1 C23 C24 C29 99.00(17) . . . . ?
N2 C23 C24 C25 95.79(17) . . . . ?
N1 C23 C24 C25 -82.74(18) . . . . ?
C29 C24 C25 C26 1.4(2) . . . . ?
C23 C24 C25 C26 -176.93(14) . . . . ?
C24 C25 C26 C27 -0.2(3) . . . . ?
C25 C26 C27 C28 -1.1(3) . . . . ?
C26 C27 C28 C29 1.3(3) . . . . ?
C27 C28 C29 C24 -0.1(3) . . . . ?
C25 C24 C29 C28 -1.2(2) . . . . ?
C23 C24 C29 C28 177.04(14) . . . . ?
C23 N1 C30 C33B -34.4(6) . . . . ?
Si4 N1 C30 C33B 120.9(6) . . . . ?
C23 N1 C30 C32A 56.6(2) . . . . ?
Si4 N1 C30 C32A -148.03(15) . . . . ?
C23 N1 C30 C31A 177.84(19) . . . . ?
Si4 N1 C30 C31A -26.8(2) . . . . ?
C23 N1 C30 C31B -162.0(6) . . . . ?
Si4 N1 C30 C31B -6.7(6) . . . . ?
C23 N1 C30 C33A -66.1(2) . . . . ?
Si4 N1 C30 C33A 89.18(18) . . . . ?
C23 N1 C30 C32B 85.5(5) . . . . ?
Si4 N1 C30 C32B -119.2(5) . . . . ?
C23 N2 C34 C35 -171.40(13) . . . . ?
Si4 N2 C34 C35 32.10(17) . . . . ?
C23 N2 C34 C37 -51.89(19) . . . . ?
Si4 N2 C34 C37 151.61(11) . . . . ?
C23 N2 C34 C36 71.55(18) . . . . ?
Si4 N2 C34 C36 -84.95(16) . . . . ?
C49 N4 C38 N3 176.90(15) . . . . ?
Si5 N4 C38 N3 5.02(12) . . . . ?
C49 N4 C38 C39 -3.6(3) . . . . ?
Si5 N4 C38 C39 -175.45(13) . . . . ?
C49 N4 C38 Si5 171.9(2) . . . . ?
C45 N3 C38 N4 -165.06(14) . . . . ?
Si5 N3 C38 N4 -5.04(12) . . . . ?
C45 N3 C38 C39 15.4(2) . . . . ?
Si5 N3 C38 C39 175.44(13) . . . . ?
C45 N3 C38 Si5 -160.02(17) . . . . ?
N4 C38 C39 C40 89.17(19) . . . . ?
N3 C38 C39 C40 -91.40(19) . . . . ?
N4 C38 C39 C44 -90.1(2) . . . . ?
N3 C38 C39 C44 89.32(19) . . . . ?
C44 C39 C40 C41 0.0(2) . . . . ?
C38 C39 C40 C41 -179.32(14) . . . . ?
C39 C40 C41 C42 0.3(2) . . . . ?
C40 C41 C42 C43 -0.4(3) . . . . ?
C41 C42 C43 C44 0.3(3) . . . . ?
C42 C43 C44 C39 -0.1(3) . . . . ?
C40 C39 C44 C43 -0.1(2) . . . . ?
C38 C39 C44 C43 179.23(15) . . . . ?
C38 N3 C45 C46 -171.71(14) . . . . ?
Si5 N3 C45 C46 37.19(18) . . . . ?
C38 N3 C45 C48 -51.9(2) . . . . ?
Si5 N3 C45 C48 157.00(12) . . . . ?
C38 N3 C45 C47 70.65(18) . . . . ?
Si5 N3 C45 C47 -80.45(16) . . . . ?
C38 N4 C49 C51B 82.2(3) . . . . ?
Si5 N4 C49 C51B -110.0(3) . . . . ?
C38 N4 C49 C52A -72.8(3) . . . . ?
Si5 N4 C49 C52A 95.0(3) . . . . ?
C38 N4 C49 C50A 163.3(2) . . . . ?
Si5 N4 C49 C50A -28.9(3) . . . . ?
C38 N4 C49 C52B -47.2(4) . . . . ?
Si5 N4 C49 C52B 120.6(3) . . . . ?
C38 N4 C49 C51A 47.6(3) . . . . ?
Si5 N4 C49 C51A -144.6(2) . . . . ?
C38 N4 C49 C50B -160.5(3) . . . . ?
Si5 N4 C49 C50B 7.3(3) . . . . ?
C56 O1 C53 C54 15.5(3) . . . . ?
O1 C53 C54 C55 -28.3(4) . . . . ?
C53 C54 C55 C56 30.4(5) . . . . ?
C53 O1 C56 C55 4.2(4) . . . . ?
C54 C55 C56 O1 -22.2(5) . . . . ?
C60 O2 C57 C58 -17.2(4) . . . . ?
O2 C57 C58 C59 28.9(3) . . . . ?
C57 C58 C59 C60 -28.7(4) . . . . ?
C57 O2 C60 C59 -2.7(5) . . . . ?
C58 C59 C60 O2 20.4(5) . . . . ?
C64 O3 C61 C62 38.2(3) . . . . ?
O3 C61 C62 C63 -21.5(3) . . . . ?
C61 C62 C63 C64 -1.9(3) . . . . ?
C61 O3 C64 C63 -39.0(2) . . . . ?
C62 C63 C64 O3 25.1(3) . . . . ?
C68A O4A C65A C66A 42.6(4) . . . . ?
O4A C65A C66A C67A -26.6(4) . . . . ?
C65A C66A C67A C68A 1.9(5) . . . . ?
C65A O4A C68A C67A -40.9(5) . . . . ?
C66A C67A C68A O4A 23.2(5) . . . . ?
C68B O4B C65B C66B 37.3(7) . . . . ?
O4B C65B C66B C67B -27.7(7) . . . . ?
C65B C66B C67B C68B 7.2(7) . . . . ?
C65B O4B C68B C67B -32.0(7) . . . . ?
C66B C67B C68B O4B 15.3(8) . . . . ?
