#------------------------------------------------------------------------------
#$Date: 2022-03-04 23:12:54 +0100 (vie 04 de mar de 2022) $
#$Revision: 273365 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/94/7709435.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_7709435
loop_
_publ_author_name
'Helmer, Joschua'
'Hepp, Alexander'
'Lips, Felicitas'
_publ_section_title
;
 A strongly twisted SiSi bond with resemblance to a buckled dimer
 in an unexpected isomer of hexasilabenzene.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3254
_journal_page_last               3262
_journal_paper_doi               10.1039/d2dt00259k
_journal_volume                  51
_journal_year                    2022
_chemical_formula_sum            'C67 H100 N8 Si12'
_chemical_formula_weight         1354.62
_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   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-11-19 deposited with the CCDC.	2022-01-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.670(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8395(4)
_cell_length_b                   19.0594(6)
_cell_length_c                   28.7819(9)
_cell_measurement_reflns_used    9724
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      2.57
_cell_volume                     7484.0(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_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  0.0418
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            96343
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.200
_diffrn_reflns_theta_min         1.435
_exptl_absorpt_coefficient_mu    0.252
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_description       plate
_exptl_crystal_F_000             2904
_exptl_crystal_size_max          0.547
_exptl_crystal_size_mid          0.426
_exptl_crystal_size_min          0.313
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     804
_refine_ls_number_reflns         16565
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0536P)²+9.6169P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1233
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14644
_reflns_number_total             16565
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00259k2.cif
_cod_data_source_block           jh041220m1_a
_cod_depositor_comments
'Adding full bibliography for 7709435--7709439.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7709435
_shelx_shelxl_version_number     2016/6
_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.
;
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
Si1 Si 0.58750(4) 0.67083(3) 0.58265(2) 0.01268(11) Uani 1 1 d . . . . .
Si2 Si 0.59411(4) 0.61742(3) 0.65678(2) 0.01206(11) Uani 1 1 d . . . . .
Si3 Si 0.75316(4) 0.65769(3) 0.67505(2) 0.01188(11) Uani 1 1 d . . . . .
Si4 Si 0.75361(4) 0.63167(3) 0.59374(2) 0.01190(11) Uani 1 1 d . . . . .
Si5 Si 0.80198(4) 0.74721(3) 0.57615(2) 0.01253(11) Uani 1 1 d . . . . .
Si6 Si 0.68758(4) 0.75606(3) 0.62933(2) 0.01218(11) Uani 1 1 d . . . . .
Si7 Si 0.38328(4) 0.59130(3) 0.67507(2) 0.01552(12) Uani 1 1 d . . . . .
Si8 Si 0.93699(4) 0.69038(3) 0.75700(2) 0.01509(12) Uani 1 1 d . . . . .
Si9 Si 0.75293(4) 0.51095(3) 0.51756(2) 0.01409(11) Uani 1 1 d . . . . .
Si10 Si 0.69968(4) 0.86042(3) 0.50242(2) 0.01884(13) Uani 1 1 d . . . . .
Si11 Si 1.02630(4) 0.71197(3) 0.59480(2) 0.01635(12) Uani 1 1 d . . . . .
Si12 Si 0.51281(4) 0.85995(3) 0.64160(2) 0.01627(12) Uani 1 1 d . . . . .
N1 N 0.50314(12) 0.62362(9) 0.69297(6) 0.0142(3) Uani 1 1 d . . . . .
N2 N 0.59242(12) 0.51835(9) 0.65217(6) 0.0135(3) Uani 1 1 d . . . . .
N3 N 0.62387(14) 0.30169(9) 0.64571(7) 0.0224(4) Uani 1 1 d . . . . .
N4 N 0.83693(12) 0.64344(9) 0.72744(6) 0.0150(3) Uani 1 1 d . . . . .
N5 N 0.78875(12) 0.54990(9) 0.57310(6) 0.0143(3) Uani 1 1 d . . . . .
N6 N 0.75458(12) 0.78004(9) 0.51962(6) 0.0153(3) Uani 1 1 d . . . . .
N7 N 0.92678(12) 0.76987(9) 0.58979(6) 0.0155(3) Uani 1 1 d . . . . .
N8 N 0.63541(12) 0.83158(9) 0.65128(6) 0.0148(3) Uani 1 1 d . . . . .
C1 C 0.52776(14) 0.64998(10) 0.73981(7) 0.0149(4) Uani 1 1 d . . . . .
C2 C 0.57010(15) 0.71613(11) 0.74822(7) 0.0174(4) Uani 1 1 d . . . . .
H2 H 0.581179 0.744323 0.722405 0.021 Uiso 1 1 calc R U . . .
C3 C 0.59623(16) 0.74128(11) 0.79384(8) 0.0213(4) Uani 1 1 d . . . . .
H3 H 0.625427 0.786333 0.799037 0.026 Uiso 1 1 calc R U . . .
C4 C 0.57990(17) 0.70083(13) 0.83205(8) 0.0240(5) Uani 1 1 d . . . . .
H4 H 0.598646 0.717760 0.863311 0.029 Uiso 1 1 calc R U . . .
C5 C 0.53624(17) 0.63598(12) 0.82404(8) 0.0234(5) Uani 1 1 d . . . . .
H5 H 0.523492 0.608534 0.849895 0.028 Uiso 1 1 calc R U . . .
C6 C 0.51076(15) 0.61051(11) 0.77845(7) 0.0186(4) Uani 1 1 d . . . . .
H6 H 0.481301 0.565518 0.773488 0.022 Uiso 1 1 calc R U . . .
C7 C 0.34450(16) 0.60432(12) 0.61046(8) 0.0206(4) Uani 1 1 d . . . . .
H7A H 0.349873 0.654116 0.602800 0.031 Uiso 1 1 calc R U . . .
H7B H 0.276379 0.589007 0.601232 0.031 Uiso 1 1 calc R U . . .
H7C H 0.386863 0.576677 0.593355 0.031 Uiso 1 1 calc R U . . .
C8 C 0.29955(16) 0.64036(13) 0.70752(8) 0.0227(4) Uani 1 1 d . . . . .
H8A H 0.313605 0.627776 0.740993 0.034 Uiso 1 1 calc R U . . .
H8B H 0.231466 0.628306 0.694665 0.034 Uiso 1 1 calc R U . . .
H8C H 0.309419 0.690878 0.704027 0.034 Uiso 1 1 calc R U . . .
C9 C 0.36968(17) 0.49531(12) 0.68521(8) 0.0234(5) Uani 1 1 d . . . . .
H9A H 0.411054 0.469016 0.666836 0.035 Uiso 1 1 calc R U . . .
H9B H 0.301035 0.481644 0.675330 0.035 Uiso 1 1 calc R U . . .
H9C H 0.389804 0.484886 0.718783 0.035 Uiso 1 1 calc R U . . .
C10 C 0.61703(15) 0.47916(11) 0.69184(7) 0.0166(4) Uani 1 1 d . . . . .
H10 H 0.628347 0.502517 0.721411 0.020 Uiso 1 1 calc R U . . .
C11 C 0.62626(15) 0.40810(11) 0.69125(7) 0.0176(4) Uani 1 1 d . . . . .
H11 H 0.644113 0.383217 0.720016 0.021 Uiso 1 1 calc R U . . .
C12 C 0.60940(15) 0.37107(11) 0.64803(8) 0.0171(4) Uani 1 1 d . . . . .
C13 C 0.57739(15) 0.41234(11) 0.60722(7) 0.0167(4) Uani 1 1 d . . . . .
H13 H 0.559761 0.390285 0.577402 0.020 Uiso 1 1 calc R U . . .
C14 C 0.57192(14) 0.48370(10) 0.61078(7) 0.0147(4) Uani 1 1 d . . . . .
H14 H 0.552774 0.510176 0.582781 0.018 Uiso 1 1 calc R U . . .
C15 C 0.66428(19) 0.26248(12) 0.68816(9) 0.0295(5) Uani 1 1 d . . . . .
H15A H 0.726887 0.283353 0.702576 0.044 Uiso 1 1 calc R U . . .
H15B H 0.674764 0.213543 0.679816 0.044 Uiso 1 1 calc R U . . .
H15C H 0.618283 0.264241 0.710577 0.044 Uiso 1 1 calc R U . . .
C16 C 0.6089(2) 0.26541(12) 0.60068(9) 0.0295(5) Uani 1 1 d . . . . .
H16A H 0.542352 0.274524 0.584019 0.044 Uiso 1 1 calc R U . . .
H16B H 0.617789 0.214862 0.605989 0.044 Uiso 1 1 calc R U . . .
H16C H 0.656546 0.282379 0.581641 0.044 Uiso 1 1 calc R U . . .
C17 C 0.82008(15) 0.58111(11) 0.75389(7) 0.0165(4) Uani 1 1 d . . . . .
C18 C 0.87005(17) 0.51945(11) 0.74833(8) 0.0224(4) Uani 1 1 d . . . . .
H18 H 0.912632 0.517167 0.725692 0.027 Uiso 1 1 calc R U . . .
C19 C 0.85829(19) 0.46119(12) 0.77555(9) 0.0290(5) Uani 1 1 d . . . . .
H19 H 0.892823 0.419175 0.771449 0.035 Uiso 1 1 calc R U . . .
C20 C 0.79691(19) 0.46370(13) 0.80851(9) 0.0301(5) Uani 1 1 d . . . . .
H20 H 0.789614 0.423736 0.827340 0.036 Uiso 1 1 calc R U . . .
C21 C 0.74601(18) 0.52456(13) 0.81409(8) 0.0266(5) Uani 1 1 d . . . . .
H21 H 0.702859 0.526218 0.836487 0.032 Uiso 1 1 calc R U . . .
C22 C 0.75768(16) 0.58364(12) 0.78697(8) 0.0206(4) Uani 1 1 d . . . . .
H22 H 0.722998 0.625572 0.791112 0.025 Uiso 1 1 calc R U . . .
C23 C 1.04789(16) 0.63343(12) 0.77159(8) 0.0232(5) Uani 1 1 d . . . . .
H23A H 1.036357 0.597814 0.794602 0.035 Uiso 1 1 calc R U . . .
H23B H 1.104392 0.662268 0.784936 0.035 Uiso 1 1 calc R U . . .
H23C H 1.061051 0.610333 0.742877 0.035 Uiso 1 1 calc R U . . .
C24 C 0.96617(16) 0.76733(11) 0.72198(8) 0.0204(4) Uani 1 1 d . . . . .
H24A H 0.935271 0.761328 0.689004 0.031 Uiso 1 1 calc R U . . .
H24B H 1.037360 0.770988 0.723876 0.031 Uiso 1 1 calc R U . . .
H24C H 0.941244 0.810168 0.734626 0.031 Uiso 1 1 calc R U . . .
C25 C 0.90981(17) 0.71983(12) 0.81523(8) 0.0231(5) Uani 1 1 d . . . . .
H25A H 0.852082 0.750425 0.810364 0.035 Uiso 1 1 calc R U . . .
H25B H 0.966170 0.745698 0.832120 0.035 Uiso 1 1 calc R U . . .
H25C H 0.896896 0.678838 0.833812 0.035 Uiso 1 1 calc R U . . .
C26 C 0.85799(15) 0.50504(10) 0.60203(7) 0.0147(4) Uani 1 1 d . . . . .
C27 C 0.95172(16) 0.49530(11) 0.59183(8) 0.0203(4) Uani 1 1 d . . . . .
H27 H 0.974249 0.523987 0.568866 0.024 Uiso 1 1 calc R U . . .
C28 C 1.01250(17) 0.44398(12) 0.61497(9) 0.0254(5) Uani 1 1 d . . . . .
H28 H 1.076459 0.437741 0.607754 0.030 Uiso 1 1 calc R U . . .
C29 C 0.98090(17) 0.40186(12) 0.64841(8) 0.0239(5) Uani 1 1 d . . . . .
H29 H 1.022116 0.365891 0.663586 0.029 Uiso 1 1 calc R U . . .
C30 C 0.88904(17) 0.41244(12) 0.65959(8) 0.0231(5) Uani 1 1 d . . . . .
H30 H 0.867077 0.384061 0.682878 0.028 Uiso 1 1 calc R U . . .
C31 C 0.82849(15) 0.46443(11) 0.63693(8) 0.0193(4) Uani 1 1 d . . . . .
H31 H 0.765999 0.472214 0.645498 0.023 Uiso 1 1 calc R U . . .
C32 C 0.83588(16) 0.53482(11) 0.47549(7) 0.0197(4) Uani 1 1 d . . . . .
H32A H 0.838835 0.586002 0.472800 0.030 Uiso 1 1 calc R U . . .
H32B H 0.810819 0.514568 0.444505 0.030 Uiso 1 1 calc R U . . .
H32C H 0.901699 0.516457 0.486978 0.030 Uiso 1 1 calc R U . . .
C33 C 0.75910(16) 0.41361(11) 0.52418(8) 0.0201(4) Uani 1 1 d . . . . .
H33A H 0.827805 0.398884 0.531633 0.030 Uiso 1 1 calc R U . . .
H33B H 0.728152 0.391500 0.494664 0.030 Uiso 1 1 calc R U . . .
H33C H 0.724586 0.399316 0.549711 0.030 Uiso 1 1 calc R U . . .
C34 C 0.62392(15) 0.53314(11) 0.49182(8) 0.0193(4) Uani 1 1 d . . . . .
H34A H 0.580082 0.496389 0.499909 0.029 Uiso 1 1 calc R U . . .
H34B H 0.617605 0.536546 0.457463 0.029 Uiso 1 1 calc R U . . .
H34C H 0.606200 0.578159 0.504532 0.029 Uiso 1 1 calc R U . . .
C35 C 0.76100(15) 0.73780(10) 0.47888(7) 0.0163(4) Uani 1 1 d . . . . .
C36 C 0.84362(16) 0.73985(11) 0.45739(8) 0.0203(4) Uani 1 1 d . . . . .
H36 H 0.899639 0.765491 0.471717 0.024 Uiso 1 1 calc R U . . .
C37 C 0.84531(17) 0.70502(12) 0.41543(8) 0.0236(5) Uani 1 1 d . . . . .
H37 H 0.902625 0.706571 0.401342 0.028 Uiso 1 1 calc R U . . .
C38 C 0.76410(18) 0.66788(12) 0.39375(8) 0.0236(5) Uani 1 1 d . . . . .
H38 H 0.764903 0.644968 0.364505 0.028 Uiso 1 1 calc R U . . .
C39 C 0.68216(17) 0.66447(11) 0.41499(8) 0.0212(4) Uani 1 1 d . . . . .
H39 H 0.626490 0.638588 0.400532 0.025 Uiso 1 1 calc R U . . .
C40 C 0.68052(16) 0.69873(11) 0.45749(7) 0.0185(4) Uani 1 1 d . . . . .
H40 H 0.624017 0.695491 0.472104 0.022 Uiso 1 1 calc R U . . .
C41 C 0.56700(19) 0.84895(14) 0.47822(10) 0.0354(6) Uani 1 1 d . . . . .
H41A H 0.559936 0.823875 0.448113 0.053 Uiso 1 1 calc R U . . .
H41B H 0.535651 0.895069 0.473288 0.053 Uiso 1 1 calc R U . . .
H41C H 0.535671 0.821876 0.500536 0.053 Uiso 1 1 calc R U . . .
C42 C 0.71354(18) 0.92099(11) 0.55311(8) 0.0232(5) Uani 1 1 d . . . . .
H42A H 0.700082 0.895833 0.581027 0.035 Uiso 1 1 calc R U . . .
H42B H 0.667259 0.959992 0.546058 0.035 Uiso 1 1 calc R U . . .
H42C H 0.780641 0.939315 0.559173 0.035 Uiso 1 1 calc R U . . .
C43 C 0.7574(2) 0.90174(14) 0.45487(9) 0.0361(6) Uani 1 1 d . . . . .
H43A H 0.828303 0.905709 0.465461 0.054 Uiso 1 1 calc R U . . .
H43B H 0.729511 0.948556 0.447804 0.054 Uiso 1 1 calc R U . . .
H43C H 0.744706 0.872604 0.426447 0.054 Uiso 1 1 calc R U . . .
C44 C 0.95038(15) 0.84320(11) 0.58759(8) 0.0177(4) Uani 1 1 d . . . . .
C45 C 0.93328(16) 0.88891(11) 0.62285(8) 0.0213(4) Uani 1 1 d . . . . .
H45 H 0.902780 0.872200 0.647916 0.026 Uiso 1 1 calc R U . . .
C46 C 0.96052(18) 0.95898(12) 0.62172(9) 0.0285(5) Uani 1 1 d . . . . .
H46 H 0.948132 0.989874 0.645946 0.034 Uiso 1 1 calc R U . . .
C47 C 1.00552(19) 0.98416(13) 0.58562(10) 0.0332(6) Uani 1 1 d . . . . .
H47 H 1.024723 1.031978 0.585171 0.040 Uiso 1 1 calc R U . . .
C48 C 1.02216(19) 0.93923(13) 0.55039(10) 0.0314(6) Uani 1 1 d . . . . .
H48 H 1.053152 0.956133 0.525538 0.038 Uiso 1 1 calc R U . . .
C49 C 0.99403(16) 0.86954(12) 0.55091(8) 0.0234(5) Uani 1 1 d . . . . .
H49 H 1.004586 0.839317 0.525995 0.028 Uiso 1 1 calc R U . . .
C50 C 1.14231(16) 0.76253(12) 0.61139(9) 0.0258(5) Uani 1 1 d . . . . .
H50A H 1.153277 0.791770 0.584753 0.039 Uiso 1 1 calc R U . . .
H50B H 1.197247 0.729894 0.619582 0.039 Uiso 1 1 calc R U . . .
H50C H 1.137379 0.792511 0.638556 0.039 Uiso 1 1 calc R U . . .
C51 C 1.02569(16) 0.64625(11) 0.64258(8) 0.0203(4) Uani 1 1 d . . . . .
H51A H 1.051539 0.667782 0.673061 0.030 Uiso 1 1 calc R U . . .
H51B H 1.066781 0.606165 0.637218 0.030 Uiso 1 1 calc R U . . .
H51C H 0.958436 0.630200 0.642636 0.030 Uiso 1 1 calc R U . . .
C52 C 1.02922(17) 0.66379(12) 0.53865(8) 0.0237(5) Uani 1 1 d . . . . .
H52A H 0.966909 0.639151 0.529083 0.036 Uiso 1 1 calc R U . . .
H52B H 1.083012 0.629719 0.543346 0.036 Uiso 1 1 calc R U . . .
H52C H 1.039284 0.697199 0.514022 0.036 Uiso 1 1 calc R U . . .
C53 C 0.69989(14) 0.87575(11) 0.68322(7) 0.0162(4) Uani 1 1 d . . . . .
C54 C 0.71342(16) 0.94626(11) 0.67281(8) 0.0210(4) Uani 1 1 d . . . . .
H54 H 0.681628 0.965133 0.643666 0.025 Uiso 1 1 calc R U . . .
C55 C 0.77289(18) 0.98906(12) 0.70463(8) 0.0249(5) Uani 1 1 d . . . . .
H55 H 0.781640 1.036877 0.696997 0.030 Uiso 1 1 calc R U . . .
C56 C 0.81931(16) 0.96283(12) 0.74717(8) 0.0249(5) Uani 1 1 d . . . . .
H56 H 0.860350 0.992112 0.768786 0.030 Uiso 1 1 calc R U . . .
C57 C 0.80539(16) 0.89348(12) 0.75793(8) 0.0233(5) Uani 1 1 d . . . . .
H57 H 0.836403 0.875129 0.787369 0.028 Uiso 1 1 calc R U . . .
C58 C 0.74657(15) 0.85013(11) 0.72624(8) 0.0189(4) Uani 1 1 d . . . . .
H58 H 0.738227 0.802365 0.734135 0.023 Uiso 1 1 calc R U . . .
C59 C 0.48769(17) 0.90046(13) 0.69743(9) 0.0264(5) Uani 1 1 d . . . . .
H59A H 0.504382 0.867019 0.723405 0.040 Uiso 1 1 calc R U . . .
H59B H 0.418072 0.912685 0.693997 0.040 Uiso 1 1 calc R U . . .
H59C H 0.527450 0.942952 0.704204 0.040 Uiso 1 1 calc R U . . .
C60 C 0.42596(16) 0.78647(12) 0.62657(9) 0.0232(5) Uani 1 1 d . . . . .
H60A H 0.433714 0.766932 0.595911 0.035 Uiso 1 1 calc R U . . .
H60B H 0.358728 0.803574 0.625060 0.035 Uiso 1 1 calc R U . . .
H60C H 0.439409 0.749945 0.650756 0.035 Uiso 1 1 calc R U . . .
C61 C 0.48269(18) 0.92700(13) 0.59390(9) 0.0295(5) Uani 1 1 d . . . . .
H61A H 0.521073 0.969613 0.602643 0.044 Uiso 1 1 calc R U . . .
H61B H 0.412648 0.938203 0.589695 0.044 Uiso 1 1 calc R U . . .
H61C H 0.498559 0.908296 0.564369 0.044 Uiso 1 1 calc R U . . .
C62 C 0.7900(2) 0.22594(14) 0.51818(10) 0.0351(6) Uani 1 1 d . . . . .
H62 H 0.790244 0.265494 0.498111 0.042 Uiso 1 1 calc R U . . .
C63 C 0.8547(2) 0.22239(17) 0.55931(12) 0.0467(7) Uani 1 1 d . . . . .
H63 H 0.899986 0.259476 0.567943 0.056 Uiso 1 1 calc R U . . .
C64 C 0.8544(2) 0.16459(19) 0.58870(12) 0.0515(8) Uani 1 1 d . . . . .
H64 H 0.899879 0.162052 0.617323 0.062 Uiso 1 1 calc R U . . .
C65 C 0.7887(3) 0.11114(16) 0.57639(12) 0.0502(8) Uani 1 1 d . . . . .
H65 H 0.788217 0.071434 0.596315 0.060 Uiso 1 1 calc R U . . .
C66 C 0.7232(3) 0.11584(16) 0.53476(13) 0.0539(9) Uani 1 1 d . . . . .
H66 H 0.676823 0.079444 0.526074 0.065 Uiso 1 1 calc R U . . .
C67 C 0.7249(2) 0.17298(15) 0.50573(11) 0.0449(7) Uani 1 1 d . . . . .
H67 H 0.680319 0.175478 0.476822 0.054 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'
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
Si2 Si1 Si4 81.57(2) . . ?
Si2 Si1 Si6 81.60(2) . . ?
Si4 Si1 Si6 71.57(2) . . ?
N1 Si2 N2 96.10(8) . . ?
N1 Si2 Si3 126.17(6) . . ?
N2 Si2 Si3 110.36(6) . . ?
N1 Si2 Si1 125.64(6) . . ?
N2 Si2 Si1 111.72(6) . . ?
Si3 Si2 Si1 87.31(3) . . ?
N4 Si3 Si2 127.53(6) . . ?
N4 Si3 Si6 136.83(6) . . ?
Si2 Si3 Si6 82.84(2) . . ?
N4 Si3 Si4 134.07(6) . . ?
Si2 Si3 Si4 82.37(2) . . ?
Si6 Si3 Si4 71.71(2) . . ?
N5 Si4 Si5 129.94(6) . . ?
N5 Si4 Si1 123.01(6) . . ?
Si5 Si4 Si1 88.92(2) . . ?
N5 Si4 Si3 123.94(6) . . ?
Si5 Si4 Si3 93.62(3) . . ?
Si1 Si4 Si3 84.57(2) . . ?
N5 Si4 Si6 175.85(6) . . ?
Si5 Si4 Si6 54.16(2) . . ?
Si1 Si4 Si6 54.35(2) . . ?
Si3 Si4 Si6 53.94(2) . . ?
N7 Si5 N6 108.52(8) . . ?
N7 Si5 Si4 118.70(6) . . ?
N6 Si5 Si4 116.75(6) . . ?
N7 Si5 Si6 124.88(6) . . ?
N6 Si5 Si6 112.50(6) . . ?
Si4 Si5 Si6 71.85(2) . . ?
N8 Si6 Si3 125.63(6) . . ?
N8 Si6 Si5 129.77(6) . . ?
Si3 Si6 Si5 93.80(3) . . ?
N8 Si6 Si1 121.23(6) . . ?
Si3 Si6 Si1 84.65(2) . . ?
Si5 Si6 Si1 88.60(3) . . ?
N8 Si6 Si4 175.01(6) . . ?
Si3 Si6 Si4 54.35(2) . . ?
Si5 Si6 Si4 53.99(2) . . ?
Si1 Si6 Si4 54.08(2) . . ?
N1 Si7 C8 108.22(9) . . ?
N1 Si7 C7 110.13(9) . . ?
C8 Si7 C7 109.59(10) . . ?
N1 Si7 C9 114.28(9) . . ?
C8 Si7 C9 109.07(11) . . ?
C7 Si7 C9 105.47(10) . . ?
N4 Si8 C24 111.49(9) . . ?
N4 Si8 C25 109.22(10) . . ?
C24 Si8 C25 110.14(10) . . ?
N4 Si8 C23 111.48(9) . . ?
C24 Si8 C23 109.54(10) . . ?
C25 Si8 C23 104.77(11) . . ?
N5 Si9 C32 112.24(9) . . ?
N5 Si9 C34 111.79(9) . . ?
C32 Si9 C34 109.92(10) . . ?
N5 Si9 C33 109.04(9) . . ?
C32 Si9 C33 106.68(10) . . ?
C34 Si9 C33 106.90(10) . . ?
N6 Si10 C42 110.04(9) . . ?
N6 Si10 C41 110.97(10) . . ?
C42 Si10 C41 109.51(12) . . ?
N6 Si10 C43 110.98(11) . . ?
C42 Si10 C43 108.34(12) . . ?
C41 Si10 C43 106.92(14) . . ?
N7 Si11 C51 112.56(9) . . ?
N7 Si11 C50 109.07(10) . . ?
C51 Si11 C50 105.61(11) . . ?
N7 Si11 C52 111.72(10) . . ?
C51 Si11 C52 108.21(10) . . ?
C50 Si11 C52 109.47(11) . . ?
N8 Si12 C60 112.10(9) . . ?
N8 Si12 C59 107.76(10) . . ?
C60 Si12 C59 107.88(11) . . ?
N8 Si12 C61 114.62(10) . . ?
C60 Si12 C61 106.84(11) . . ?
C59 Si12 C61 107.36(12) . . ?
C1 N1 Si7 117.60(13) . . ?
C1 N1 Si2 120.01(13) . . ?
Si7 N1 Si2 122.18(10) . . ?
C14 N2 C10 117.29(17) . . ?
C14 N2 Si2 123.24(14) . . ?
C10 N2 Si2 119.40(14) . . ?
C12 N3 C16 120.92(19) . . ?
C12 N3 C15 120.13(19) . . ?
C16 N3 C15 118.68(19) . . ?
C17 N4 Si8 110.38(12) . . ?
C17 N4 Si3 115.77(13) . . ?
Si8 N4 Si3 133.81(10) . . ?
C26 N5 Si9 109.52(12) . . ?
C26 N5 Si4 121.57(13) . . ?
Si9 N5 Si4 128.89(10) . . ?
C35 N6 Si10 110.13(13) . . ?
C35 N6 Si5 119.30(13) . . ?
Si10 N6 Si5 130.55(10) . . ?
C44 N7 Si11 115.74(13) . . ?
C44 N7 Si5 116.75(13) . . ?
Si11 N7 Si5 126.33(10) . . ?
C53 N8 Si12 113.53(13) . . ?
C53 N8 Si6 117.13(13) . . ?
Si12 N8 Si6 129.28(10) . . ?
C2 C1 C6 118.13(19) . . ?
C2 C1 N1 120.65(18) . . ?
C6 C1 N1 121.22(18) . . ?
C3 C2 C1 120.8(2) . . ?
C2 C3 C4 120.3(2) . . ?
C5 C4 C3 119.3(2) . . ?
C4 C5 C6 120.4(2) . . ?
C5 C6 C1 121.0(2) . . ?
N2 C10 C11 123.19(19) . . ?
C10 C11 C12 120.35(19) . . ?
N3 C12 C11 122.1(2) . . ?
N3 C12 C13 122.21(19) . . ?
C11 C12 C13 115.66(18) . . ?
C14 C13 C12 120.15(19) . . ?
N2 C14 C13 123.15(18) . . ?
C18 C17 C22 119.2(2) . . ?
C18 C17 N4 120.4(2) . . ?
C22 C17 N4 120.29(19) . . ?
C19 C18 C17 120.4(2) . . ?
C20 C19 C18 120.5(2) . . ?
C19 C20 C21 119.7(2) . . ?
C20 C21 C22 120.3(2) . . ?
C17 C22 C21 119.9(2) . . ?
C31 C26 C27 118.59(19) . . ?
C31 C26 N5 120.22(18) . . ?
C27 C26 N5 120.74(18) . . ?
C28 C27 C26 120.4(2) . . ?
C29 C28 C27 120.5(2) . . ?
C30 C29 C28 119.4(2) . . ?
C29 C30 C31 120.2(2) . . ?
C26 C31 C30 120.8(2) . . ?
C36 C35 C40 118.4(2) . . ?
C36 C35 N6 121.05(19) . . ?
C40 C35 N6 120.33(19) . . ?
C37 C36 C35 120.8(2) . . ?
C36 C37 C38 120.5(2) . . ?
C39 C38 C37 119.4(2) . . ?
C38 C39 C40 120.3(2) . . ?
C39 C40 C35 120.6(2) . . ?
C45 C44 C49 118.4(2) . . ?
C45 C44 N7 120.65(19) . . ?
C49 C44 N7 120.9(2) . . ?
C44 C45 C46 120.4(2) . . ?
C47 C46 C45 120.6(2) . . ?
C48 C47 C46 119.3(2) . . ?
C47 C48 C49 120.5(2) . . ?
C48 C49 C44 120.8(2) . . ?
C58 C53 C54 118.15(19) . . ?
C58 C53 N8 120.68(18) . . ?
C54 C53 N8 121.10(19) . . ?
C55 C54 C53 120.6(2) . . ?
C56 C55 C54 120.6(2) . . ?
C55 C56 C57 119.1(2) . . ?
C56 C57 C58 120.8(2) . . ?
C53 C58 C57 120.7(2) . . ?
C67 C62 C63 120.1(3) . . ?
C62 C63 C64 120.1(3) . . ?
C65 C64 C63 120.0(3) . . ?
C64 C65 C66 119.1(3) . . ?
C67 C66 C65 120.3(3) . . ?
C62 C67 C66 120.4(3) . . ?
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
Si1 Si2 2.3518(7) . ?
Si1 Si4 2.3870(7) . ?
Si1 Si6 2.3953(7) . ?
Si2 N1 1.7678(18) . ?
Si2 N2 1.8929(17) . ?
Si2 Si3 2.3070(7) . ?
Si3 N4 1.7619(17) . ?
Si3 Si6 2.3809(7) . ?
Si3 Si4 2.3931(7) . ?
Si4 N5 1.7651(17) . ?
Si4 Si5 2.3806(7) . ?
Si4 Si6 2.7965(7) . ?
Si5 N7 1.7595(17) . ?
Si5 N6 1.7639(18) . ?
Si5 Si6 2.3858(8) . ?
Si6 N8 1.7733(17) . ?
Si7 N1 1.7633(17) . ?
Si7 C8 1.858(2) . ?
Si7 C7 1.864(2) . ?
Si7 C9 1.867(2) . ?
Si8 N4 1.7454(18) . ?
Si8 C24 1.862(2) . ?
Si8 C25 1.865(2) . ?
Si8 C23 1.869(2) . ?
Si9 N5 1.7565(17) . ?
Si9 C32 1.860(2) . ?
Si9 C34 1.863(2) . ?
Si9 C33 1.866(2) . ?
Si10 N6 1.7443(18) . ?
Si10 C42 1.845(2) . ?
Si10 C41 1.864(3) . ?
Si10 C43 1.871(3) . ?
Si11 N7 1.7519(18) . ?
Si11 C51 1.861(2) . ?
Si11 C50 1.865(2) . ?
Si11 C52 1.865(2) . ?
Si12 N8 1.7580(18) . ?
Si12 C60 1.849(2) . ?
Si12 C59 1.867(2) . ?
Si12 C61 1.871(2) . ?
N1 C1 1.425(3) . ?
N2 C14 1.350(3) . ?
N2 C10 1.359(3) . ?
N3 C12 1.341(3) . ?
N3 C16 1.453(3) . ?
N3 C15 1.461(3) . ?
N4 C17 1.451(3) . ?
N5 C26 1.440(2) . ?
N6 C35 1.437(3) . ?
N7 C44 1.439(3) . ?
N8 C53 1.440(3) . ?
C1 C2 1.394(3) . ?
C1 C6 1.395(3) . ?
C2 C3 1.388(3) . ?
C3 C4 1.392(3) . ?
C4 C5 1.378(3) . ?
C5 C6 1.388(3) . ?
C10 C11 1.361(3) . ?
C11 C12 1.415(3) . ?
C12 C13 1.421(3) . ?
C13 C14 1.367(3) . ?
C17 C18 1.387(3) . ?
C17 C22 1.390(3) . ?
C18 C19 1.384(3) . ?
C19 C20 1.377(4) . ?
C20 C21 1.380(4) . ?
C21 C22 1.395(3) . ?
C26 C31 1.383(3) . ?
C26 C27 1.390(3) . ?
C27 C28 1.386(3) . ?
C28 C29 1.380(3) . ?
C29 C30 1.378(3) . ?
C30 C31 1.388(3) . ?
C35 C36 1.389(3) . ?
C35 C40 1.394(3) . ?
C36 C37 1.382(3) . ?
C37 C38 1.385(3) . ?
C38 C39 1.377(3) . ?
C39 C40 1.390(3) . ?
C44 C45 1.388(3) . ?
C44 C49 1.395(3) . ?
C45 C46 1.389(3) . ?
C46 C47 1.384(4) . ?
C47 C48 1.376(4) . ?
C48 C49 1.385(3) . ?
C53 C58 1.386(3) . ?
C53 C54 1.396(3) . ?
C54 C55 1.389(3) . ?
C55 C56 1.377(3) . ?
C56 C57 1.378(3) . ?
C57 C58 1.389(3) . ?
C62 C67 1.360(4) . ?
C62 C63 1.361(4) . ?
C63 C64 1.389(5) . ?
C64 C65 1.373(5) . ?
C65 C66 1.378(5) . ?
C66 C67 1.375(4) . ?
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
C8 Si7 N1 C1 30.21(17) . . . . ?
C7 Si7 N1 C1 149.98(15) . . . . ?
C9 Si7 N1 C1 -91.52(16) . . . . ?
C8 Si7 N1 Si2 -155.11(12) . . . . ?
C7 Si7 N1 Si2 -35.33(14) . . . . ?
C9 Si7 N1 Si2 83.16(14) . . . . ?
N2 Si2 N1 C1 114.94(15) . . . . ?
Si3 Si2 N1 C1 -5.84(18) . . . . ?
Si1 Si2 N1 C1 -122.75(14) . . . . ?
N2 Si2 N1 Si7 -59.63(12) . . . . ?
Si3 Si2 N1 Si7 179.60(7) . . . . ?
Si1 Si2 N1 Si7 62.69(13) . . . . ?
N1 Si2 N2 C14 121.10(16) . . . . ?
Si3 Si2 N2 C14 -106.62(15) . . . . ?
Si1 Si2 N2 C14 -11.23(17) . . . . ?
N1 Si2 N2 C10 -61.91(16) . . . . ?
Si3 Si2 N2 C10 70.37(15) . . . . ?
Si1 Si2 N2 C10 165.76(13) . . . . ?
C24 Si8 N4 C17 175.97(14) . . . . ?
C25 Si8 N4 C17 -62.09(16) . . . . ?
C23 Si8 N4 C17 53.20(17) . . . . ?
C24 Si8 N4 Si3 -6.58(18) . . . . ?
C25 Si8 N4 Si3 115.36(15) . . . . ?
C23 Si8 N4 Si3 -129.35(15) . . . . ?
Si2 Si3 N4 C17 24.66(18) . . . . ?
Si6 Si3 N4 C17 150.78(12) . . . . ?
Si4 Si3 N4 C17 -96.05(15) . . . . ?
Si2 Si3 N4 Si8 -152.68(10) . . . . ?
Si6 Si3 N4 Si8 -26.6(2) . . . . ?
Si4 Si3 N4 Si8 86.61(15) . . . . ?
C32 Si9 N5 C26 -88.14(15) . . . . ?
C34 Si9 N5 C26 147.81(14) . . . . ?
C33 Si9 N5 C26 29.83(16) . . . . ?
C32 Si9 N5 Si4 90.07(14) . . . . ?
C34 Si9 N5 Si4 -33.97(16) . . . . ?
C33 Si9 N5 Si4 -151.96(13) . . . . ?
Si5 Si4 N5 C26 103.48(15) . . . . ?
Si1 Si4 N5 C26 -135.55(14) . . . . ?
Si3 Si4 N5 C26 -28.02(18) . . . . ?
Si5 Si4 N5 Si9 -74.54(14) . . . . ?
Si1 Si4 N5 Si9 46.43(15) . . . . ?
Si3 Si4 N5 Si9 153.96(9) . . . . ?
C42 Si10 N6 C35 -168.76(14) . . . . ?
C41 Si10 N6 C35 69.88(17) . . . . ?
C43 Si10 N6 C35 -48.86(18) . . . . ?
C42 Si10 N6 Si5 9.79(17) . . . . ?
C41 Si10 N6 Si5 -111.57(16) . . . . ?
C43 Si10 N6 Si5 129.70(15) . . . . ?
N7 Si5 N6 C35 87.99(16) . . . . ?
Si4 Si5 N6 C35 -49.39(17) . . . . ?
Si6 Si5 N6 C35 -129.67(14) . . . . ?
N7 Si5 N6 Si10 -90.45(14) . . . . ?
Si4 Si5 N6 Si10 132.16(11) . . . . ?
Si6 Si5 N6 Si10 51.88(14) . . . . ?
C51 Si11 N7 C44 131.27(16) . . . . ?
C50 Si11 N7 C44 14.40(18) . . . . ?
C52 Si11 N7 C44 -106.75(16) . . . . ?
C51 Si11 N7 Si5 -61.61(15) . . . . ?
C50 Si11 N7 Si5 -178.48(13) . . . . ?
C52 Si11 N7 Si5 60.37(15) . . . . ?
N6 Si5 N7 C44 55.78(17) . . . . ?
Si4 Si5 N7 C44 -167.79(13) . . . . ?
Si6 Si5 N7 C44 -80.74(16) . . . . ?
N6 Si5 N7 Si11 -111.23(13) . . . . ?
Si4 Si5 N7 Si11 25.20(15) . . . . ?
Si6 Si5 N7 Si11 112.25(11) . . . . ?
C60 Si12 N8 C53 -152.08(15) . . . . ?
C59 Si12 N8 C53 -33.52(17) . . . . ?
C61 Si12 N8 C53 85.92(17) . . . . ?
C60 Si12 N8 Si6 25.22(17) . . . . ?
C59 Si12 N8 Si6 143.78(14) . . . . ?
C61 Si12 N8 Si6 -96.78(15) . . . . ?
Si3 Si6 N8 C53 65.85(16) . . . . ?
Si5 Si6 N8 C53 -68.78(17) . . . . ?
Si1 Si6 N8 C53 173.34(12) . . . . ?
Si3 Si6 N8 Si12 -111.37(12) . . . . ?
Si5 Si6 N8 Si12 114.00(12) . . . . ?
Si1 Si6 N8 Si12 -3.88(16) . . . . ?
Si7 N1 C1 C2 -128.80(17) . . . . ?
Si2 N1 C1 C2 56.4(2) . . . . ?
Si7 N1 C1 C6 51.5(2) . . . . ?
Si2 N1 C1 C6 -123.32(18) . . . . ?
C6 C1 C2 C3 1.2(3) . . . . ?
N1 C1 C2 C3 -178.50(19) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C2 C3 C4 C5 -0.9(3) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C4 C5 C6 C1 -0.6(3) . . . . ?
C2 C1 C6 C5 -0.7(3) . . . . ?
N1 C1 C6 C5 179.02(19) . . . . ?
C14 N2 C10 C11 3.2(3) . . . . ?
Si2 N2 C10 C11 -173.93(16) . . . . ?
N2 C10 C11 C12 -0.5(3) . . . . ?
C16 N3 C12 C11 -178.0(2) . . . . ?
C15 N3 C12 C11 -4.1(3) . . . . ?
C16 N3 C12 C13 1.1(3) . . . . ?
C15 N3 C12 C13 175.1(2) . . . . ?
C10 C11 C12 N3 175.6(2) . . . . ?
C10 C11 C12 C13 -3.6(3) . . . . ?
N3 C12 C13 C14 -174.2(2) . . . . ?
C11 C12 C13 C14 5.0(3) . . . . ?
C10 N2 C14 C13 -1.8(3) . . . . ?
Si2 N2 C14 C13 175.29(16) . . . . ?
C12 C13 C14 N2 -2.4(3) . . . . ?
Si8 N4 C17 C18 -86.0(2) . . . . ?
Si3 N4 C17 C18 96.0(2) . . . . ?
Si8 N4 C17 C22 90.4(2) . . . . ?
Si3 N4 C17 C22 -87.5(2) . . . . ?
C22 C17 C18 C19 -0.3(3) . . . . ?
N4 C17 C18 C19 176.22(19) . . . . ?
C17 C18 C19 C20 0.0(3) . . . . ?
C18 C19 C20 C21 0.7(4) . . . . ?
C19 C20 C21 C22 -0.9(4) . . . . ?
C18 C17 C22 C21 0.0(3) . . . . ?
N4 C17 C22 C21 -176.49(19) . . . . ?
C20 C21 C22 C17 0.6(3) . . . . ?
Si9 N5 C26 C31 -103.03(19) . . . . ?
Si4 N5 C26 C31 78.6(2) . . . . ?
Si9 N5 C26 C27 69.1(2) . . . . ?
Si4 N5 C26 C27 -109.2(2) . . . . ?
C31 C26 C27 C28 2.5(3) . . . . ?
N5 C26 C27 C28 -169.8(2) . . . . ?
C26 C27 C28 C29 0.0(3) . . . . ?
C27 C28 C29 C30 -1.7(4) . . . . ?
C28 C29 C30 C31 0.8(3) . . . . ?
C27 C26 C31 C30 -3.4(3) . . . . ?
N5 C26 C31 C30 168.92(19) . . . . ?
C29 C30 C31 C26 1.8(3) . . . . ?
Si10 N6 C35 C36 91.7(2) . . . . ?
Si5 N6 C35 C36 -87.1(2) . . . . ?
Si10 N6 C35 C40 -82.4(2) . . . . ?
Si5 N6 C35 C40 98.9(2) . . . . ?
C40 C35 C36 C37 1.1(3) . . . . ?
N6 C35 C36 C37 -173.03(19) . . . . ?
C35 C36 C37 C38 0.6(3) . . . . ?
C36 C37 C38 C39 -1.6(3) . . . . ?
C37 C38 C39 C40 0.8(3) . . . . ?
C38 C39 C40 C35 0.9(3) . . . . ?
C36 C35 C40 C39 -1.9(3) . . . . ?
N6 C35 C40 C39 172.31(18) . . . . ?
Si11 N7 C44 C45 -116.20(19) . . . . ?
Si5 N7 C44 C45 75.4(2) . . . . ?
Si11 N7 C44 C49 61.5(2) . . . . ?
Si5 N7 C44 C49 -106.9(2) . . . . ?
C49 C44 C45 C46 -0.9(3) . . . . ?
N7 C44 C45 C46 176.90(19) . . . . ?
C44 C45 C46 C47 -0.4(3) . . . . ?
C45 C46 C47 C48 0.7(4) . . . . ?
C46 C47 C48 C49 0.1(4) . . . . ?
C47 C48 C49 C44 -1.4(4) . . . . ?
C45 C44 C49 C48 1.8(3) . . . . ?
N7 C44 C49 C48 -176.0(2) . . . . ?
Si12 N8 C53 C58 115.46(19) . . . . ?
Si6 N8 C53 C58 -62.2(2) . . . . ?
Si12 N8 C53 C54 -61.4(2) . . . . ?
Si6 N8 C53 C54 120.94(19) . . . . ?
C58 C53 C54 C55 0.6(3) . . . . ?
N8 C53 C54 C55 177.6(2) . . . . ?
C53 C54 C55 C56 -0.3(4) . . . . ?
C54 C55 C56 C57 -0.5(4) . . . . ?
C55 C56 C57 C58 0.9(3) . . . . ?
C54 C53 C58 C57 -0.2(3) . . . . ?
N8 C53 C58 C57 -177.20(19) . . . . ?
C56 C57 C58 C53 -0.5(3) . . . . ?
C67 C62 C63 C64 0.1(5) . . . . ?
C62 C63 C64 C65 -0.3(5) . . . . ?
C63 C64 C65 C66 -0.1(6) . . . . ?
C64 C65 C66 C67 0.8(6) . . . . ?
C63 C62 C67 C66 0.6(5) . . . . ?
C65 C66 C67 C62 -1.1(6) . . . . ?
