#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:01:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179089 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/51/4305133.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_4305133
loop_
_publ_author_name
'Yunjun Wu'
'Shaowu Wang'
'Xiancui Zhu'
'Gaosheng Yang'
'Yun Wei'
'Lijun Zhang'
'Hai-bin Song'
_publ_section_title
;
Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal
Amides Supported by a Diamido Ligand with a CH2SiMe2 Link
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5503
_journal_page_last               5511
_journal_paper_doi               10.1021/ic800496d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C37 H68 N3 O Si3 Y'
_chemical_formula_weight         744.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.029(2)
_cell_length_b                   21.200(4)
_cell_length_c                   36.909(7)
_cell_measurement_temperature    293(2)
_cell_volume                     8630(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            51730
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.10
_exptl_absorpt_coefficient_mu    1.464
_exptl_absorpt_correction_T_max  0.9173
_exptl_absorpt_correction_T_min  0.8674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.145
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3200
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.047
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.181
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(10)
_refine_ls_extinction_coef       0.0206(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     840
_refine_ls_number_reflns         8384
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0857
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1564P)²+11.0603P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2206
_refine_ls_wR_factor_ref         0.2304
_reflns_number_gt                7571
_reflns_number_total             8384
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800496d-file002_2.cif
_cod_data_source_block           r61224h
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to
'constr' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305133
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.56582(8) 0.98513(3) 1.00733(2) 0.0235(3) Uani 1 1 d . . .
Y2 Y 0.27928(7) 0.70287(3) 0.24636(2) 0.0225(3) Uani 1 1 d . . .
Si1 Si 0.7621(4) 0.93354(16) 0.95338(10) 0.0572(9) Uani 1 1 d . . .
Si2 Si 0.3044(4) 0.9981(2) 1.05377(12) 0.0717(11) Uani 1 1 d . . .
Si3 Si 0.3739(5) 1.1133(2) 1.01048(15) 0.0862(14) Uani 1 1 d . . .
Si4 Si 0.4777(5) 0.6244(3) 0.29124(14) 0.0834(14) Uani 1 1 d . . .
Si5 Si 0.1030(4) 0.84312(17) 0.23807(11) 0.0606(10) Uani 1 1 d . . .
Si6 Si 0.2502(4) 0.7966(2) 0.17573(11) 0.0702(11) Uani 1 1 d . . .
O1 O 0.6991(10) 1.0480(6) 1.0385(3) 0.081(3) Uani 1 1 d . . .
O2 O 0.1932(12) 0.6205(5) 0.2153(4) 0.089(3) Uani 1 1 d . . .
N1 N 0.6318(12) 0.8944(6) 1.0192(3) 0.066(3) Uani 1 1 d . . .
N2 N 0.6504(11) 0.9900(5) 0.9536(3) 0.063(3) Uani 1 1 d . . .
N3 N 0.3992(12) 1.0353(6) 1.0252(3) 0.074(3) Uani 1 1 d . . .
N4 N 0.2378(12) 0.6760(5) 0.3018(3) 0.060(3) Uani 1 1 d . . .
N5 N 0.4691(11) 0.6689(5) 0.2512(4) 0.068(3) Uani 1 1 d . . .
N6 N 0.1974(10) 0.7879(5) 0.2193(3) 0.061(3) Uani 1 1 d . . .
C1 C 0.6241(14) 0.8396(7) 1.0407(4) 0.065(4) Uani 1 1 d . . .
C2 C 0.5701(16) 0.7835(6) 1.0249(5) 0.074(4) Uani 1 1 d . . .
C3 C 0.559(2) 0.7298(9) 1.0469(5) 0.103(7) Uani 1 1 d . . .
H3 H 0.5257 0.6937 1.0366 0.123 Uiso 1 1 calc R . .
C4 C 0.592(2) 0.7273(9) 1.0817(7) 0.117(8) Uani 1 1 d . . .
H4 H 0.5818 0.6907 1.0953 0.140 Uiso 1 1 calc R . .
C5 C 0.648(2) 0.7859(12) 1.0983(5) 0.120(8) Uani 1 1 d . . .
H5 H 0.6751 0.7855 1.1222 0.144 Uiso 1 1 calc R . .
C6 C 0.659(2) 0.8382(8) 1.0784(4) 0.090(6) Uani 1 1 d . . .
C7 C 0.7234(17) 0.8934(10) 1.0951(4) 0.083(5) Uani 1 1 d . . .
H7 H 0.7202 0.9282 1.0776 0.100 Uiso 1 1 calc R . .
C8 C 0.654(2) 0.9142(11) 1.1289(5) 0.116(7) Uani 1 1 d . . .
H8A H 0.5998 0.9481 1.1227 0.174 Uiso 1 1 calc R . .
H8B H 0.7099 0.9283 1.1470 0.174 Uiso 1 1 calc R . .
H8C H 0.6076 0.8793 1.1381 0.174 Uiso 1 1 calc R . .
C9 C 0.856(2) 0.8800(13) 1.1028(6) 0.122(8) Uani 1 1 d . . .
H9A H 0.8636 0.8394 1.1141 0.183 Uiso 1 1 d R . .
H9B H 0.8877 0.9119 1.1187 0.183 Uiso 1 1 d R . .
H9C H 0.9008 0.8802 1.0805 0.183 Uiso 1 1 d R . .
C10 C 0.5305(18) 0.7819(8) 0.9860(5) 0.087(5) Uani 1 1 d . . .
H10 H 0.5611 0.8196 0.9737 0.104 Uiso 1 1 calc R . .
C11 C 0.3986(19) 0.7786(10) 0.9811(7) 0.116(8) Uani 1 1 d . . .
H11A H 0.3669 0.7435 0.9945 0.174 Uiso 1 1 calc R . .
H11B H 0.3803 0.7734 0.9559 0.174 Uiso 1 1 calc R . .
H11C H 0.3622 0.8169 0.9898 0.174 Uiso 1 1 calc R . .
C12 C 0.581(3) 0.7224(10) 0.9665(7) 0.128(9) Uani 1 1 d . . .
H12A H 0.5792 0.6871 0.9828 0.192 Uiso 1 1 calc R . .
H12B H 0.6633 0.7300 0.9591 0.192 Uiso 1 1 calc R . .
H12C H 0.5325 0.7132 0.9456 0.192 Uiso 1 1 calc R . .
C13 C 0.7547(12) 0.8955(6) 0.9993(4) 0.063(3) Uani 1 1 d . . .
H13A H 0.7820 0.8522 0.9968 0.076 Uiso 1 1 calc R . .
H13B H 0.8126 0.9168 1.0149 0.076 Uiso 1 1 calc R . .
C14 C 0.7424(15) 0.8720(8) 0.9161(5) 0.080(5) Uani 1 1 d . . .
H14A H 0.6638 0.8528 0.9182 0.120 Uiso 1 1 calc R . .
H14B H 0.8039 0.8402 0.9184 0.120 Uiso 1 1 calc R . .
H14C H 0.7496 0.8920 0.8928 0.120 Uiso 1 1 calc R . .
C15 C 0.9284(15) 0.9615(7) 0.9503(5) 0.075(4) Uani 1 1 d . . .
H15A H 0.9480 0.9710 0.9256 0.113 Uiso 1 1 calc R . .
H15B H 0.9811 0.9288 0.9591 0.113 Uiso 1 1 calc R . .
H15C H 0.9388 0.9987 0.9649 0.113 Uiso 1 1 calc R . .
C16 C 0.5915(15) 1.0157(7) 0.9233(3) 0.065(4) Uani 1 1 d . . .
C17 C 0.6444(19) 1.0690(7) 0.9046(4) 0.080(5) Uani 1 1 d . . .
C18 C 0.580(2) 1.0978(8) 0.8759(5) 0.087(5) Uani 1 1 d . . .
H18 H 0.6195 1.1290 0.8627 0.105 Uiso 1 1 calc R . .
C19 C 0.470(2) 1.0835(9) 0.8669(5) 0.090(6) Uani 1 1 d . . .
H19 H 0.4279 1.1076 0.8501 0.108 Uiso 1 1 calc R . .
C20 C 0.416(2) 1.0290(12) 0.8835(5) 0.116(8) Uani 1 1 d . . .
H20 H 0.3412 1.0146 0.8753 0.139 Uiso 1 1 calc R . .
C21 C 0.4765(16) 0.9966(7) 0.9125(4) 0.075(4) Uani 1 1 d . . .
C22 C 0.4161(16) 0.9424(8) 0.9261(4) 0.076(4) Uani 1 1 d . . .
H22 H 0.4666 0.9266 0.9459 0.091 Uiso 1 1 calc R . .
C23 C 0.413(3) 0.8890(12) 0.8973(5) 0.122(8) Uani 1 1 d . . .
H23A H 0.3800 0.9050 0.8751 0.183 Uiso 1 1 calc R . .
H23B H 0.3640 0.8549 0.9060 0.183 Uiso 1 1 calc R . .
H23C H 0.4943 0.8741 0.8931 0.183 Uiso 1 1 calc R . .
C24 C 0.2885(16) 0.9558(10) 0.9430(5) 0.100(6) Uani 1 1 d . . .
H24A H 0.2811 1.0001 0.9481 0.149 Uiso 1 1 calc R . .
H24B H 0.2798 0.9323 0.9650 0.149 Uiso 1 1 calc R . .
H24C H 0.2265 0.9434 0.9262 0.149 Uiso 1 1 calc R . .
C25 C 0.782(2) 1.0924(9) 0.9158(6) 0.118(9) Uani 1 1 d . . .
H25 H 0.8087 1.0691 0.9372 0.141 Uiso 1 1 calc R . .
C26 C 0.792(3) 1.1617(8) 0.9231(7) 0.125(9) Uani 1 1 d . . .
H26A H 0.7872 1.1844 0.9006 0.188 Uiso 1 1 calc R . .
H26B H 0.8675 1.1705 0.9347 0.188 Uiso 1 1 calc R . .
H26C H 0.7262 1.1746 0.9385 0.188 Uiso 1 1 calc R . .
C27 C 0.860(2) 1.0697(14) 0.8811(6) 0.159(13) Uani 1 1 d . . .
H27A H 0.8774 1.1053 0.8660 0.238 Uiso 1 1 calc R . .
H27B H 0.8139 1.0392 0.8676 0.238 Uiso 1 1 calc R . .
H27C H 0.9342 1.0509 0.8892 0.238 Uiso 1 1 calc R . .
C28 C 0.3580(19) 0.9146(9) 1.0559(5) 0.094(5) Uani 1 1 d . . .
H28A H 0.3127 0.8895 1.0389 0.141 Uiso 1 1 calc R . .
H28B H 0.3463 0.8984 1.0799 0.141 Uiso 1 1 calc R . .
H28C H 0.4426 0.9129 1.0498 0.141 Uiso 1 1 calc R . .
C29 C 0.310(2) 1.0264(11) 1.1011(5) 0.112(7) Uani 1 1 d . . .
H29A H 0.3757 1.0557 1.1038 0.167 Uiso 1 1 calc R . .
H29B H 0.3219 0.9913 1.1170 0.167 Uiso 1 1 calc R . .
H29C H 0.2349 1.0470 1.1069 0.167 Uiso 1 1 calc R . .
C30 C 0.1428(19) 0.9990(17) 1.0373(10) 0.21(2) Uani 1 1 d . . .
H30A H 0.1036 1.0359 1.0468 0.311 Uiso 1 1 d R . .
H30B H 0.1017 0.9620 1.0459 0.311 Uiso 1 1 d R . .
H30C H 0.1404 1.0000 1.0113 0.311 Uiso 1 1 d R . .
C31 C 0.325(3) 1.1694(7) 1.0484(7) 0.145(12) Uani 1 1 d . . .
H31A H 0.2442 1.1840 1.0438 0.217 Uiso 1 1 calc R . .
H31B H 0.3794 1.2047 1.0492 0.217 Uiso 1 1 calc R . .
H31C H 0.3272 1.1475 1.0712 0.217 Uiso 1 1 calc R . .
C32 C 0.249(3) 1.1152(14) 0.9721(8) 0.197(17) Uani 1 1 d . . .
H32A H 0.2843 1.1291 0.9498 0.295 Uiso 1 1 calc R . .
H32B H 0.1850 1.1437 0.9790 0.295 Uiso 1 1 calc R . .
H32C H 0.2156 1.0737 0.9690 0.295 Uiso 1 1 calc R . .
C33 C 0.524(3) 1.1493(11) 0.9928(9) 0.186(17) Uani 1 1 d . . .
H33A H 0.5470 1.1844 1.0078 0.279 Uiso 1 1 calc R . .
H33B H 0.5134 1.1635 0.9683 0.279 Uiso 1 1 calc R . .
H33C H 0.5870 1.1180 0.9935 0.279 Uiso 1 1 calc R . .
C34 C 0.681(2) 1.0672(11) 1.0743(6) 0.107(7) Uani 1 1 d . . .
H34A H 0.6507 1.0326 1.0888 0.129 Uiso 1 1 calc R . .
H34B H 0.6235 1.1017 1.0753 0.129 Uiso 1 1 calc R . .
C35 C 0.806(2) 1.0889(12) 1.0884(6) 0.121(8) Uani 1 1 d . . .
H35A H 0.8550 1.0535 1.0965 0.146 Uiso 1 1 calc R . .
H35B H 0.7984 1.1193 1.1079 0.146 Uiso 1 1 calc R . .
C36 C 0.862(2) 1.1211(10) 1.0514(5) 0.106(6) Uani 1 1 d . . .
H36A H 0.8253 1.1617 1.0460 0.127 Uiso 1 1 calc R . .
H36B H 0.9492 1.1248 1.0520 0.127 Uiso 1 1 calc R . .
C37 C 0.8178(16) 1.0689(9) 1.0259(5) 0.089(5) Uani 1 1 d . . .
H37A H 0.8118 1.0848 1.0013 0.107 Uiso 1 1 calc R . .
H37B H 0.8745 1.0339 1.0261 0.107 Uiso 1 1 calc R . .
C38 C 0.1607(13) 0.6922(7) 0.3301(4) 0.060(3) Uani 1 1 d . . .
C39 C 0.0454(16) 0.6643(8) 0.3327(5) 0.079(4) Uani 1 1 d . . .
C40 C -0.0377(17) 0.6832(7) 0.3594(5) 0.077(4) Uani 1 1 d . . .
H40 H -0.1143 0.6649 0.3598 0.092 Uiso 1 1 calc R . .
C41 C -0.0103(17) 0.7265(8) 0.3843(5) 0.077(4) Uani 1 1 d . . .
H41 H -0.0652 0.7377 0.4023 0.092 Uiso 1 1 calc R . .
C42 C 0.107(2) 0.7550(9) 0.3822(5) 0.096(7) Uani 1 1 d . . .
H42 H 0.1279 0.7866 0.3985 0.115 Uiso 1 1 calc R . .
C43 C 0.1910(15) 0.7360(7) 0.3557(4) 0.068(4) Uani 1 1 d . . .
C44 C 0.3204(18) 0.7618(10) 0.3559(5) 0.098(6) Uani 1 1 d . . .
H44 H 0.3657 0.7448 0.3353 0.118 Uiso 1 1 calc R . .
C45 C 0.305(3) 0.8381(10) 0.3516(8) 0.159(14) Uani 1 1 d . . .
H45A H 0.2383 0.8470 0.3357 0.239 Uiso 1 1 calc R . .
H45B H 0.3781 0.8555 0.3416 0.239 Uiso 1 1 calc R . .
H45C H 0.2900 0.8565 0.3749 0.239 Uiso 1 1 calc R . .
C46 C 0.393(3) 0.7502(12) 0.3919(5) 0.120(8) Uani 1 1 d . . .
H46A H 0.3378 0.7506 0.4121 0.180 Uiso 1 1 calc R . .
H46B H 0.4522 0.7828 0.3950 0.180 Uiso 1 1 calc R . .
H46C H 0.4326 0.7099 0.3907 0.180 Uiso 1 1 calc R . .
C47 C 0.0053(16) 0.6119(7) 0.3058(5) 0.077(4) Uani 1 1 d D . .
H47 H 0.0728 0.6026 0.2894 0.092 Uiso 1 1 calc R . .
C48 C -0.025(3) 0.5517(11) 0.3278(9) 0.196(15) Uani 1 1 d DU . .
H48A H 0.0458 0.5380 0.3407 0.294 Uiso 1 1 calc R . .
H48B H -0.0509 0.5190 0.3115 0.294 Uiso 1 1 calc R . .
H48C H -0.0888 0.5608 0.3447 0.294 Uiso 1 1 calc R . .
C49 C -0.108(3) 0.6282(18) 0.2830(10) 0.217(18) Uani 1 1 d DU . .
H49A H -0.1417 0.6674 0.2912 0.326 Uiso 1 1 calc R . .
H49B H -0.1671 0.5953 0.2856 0.326 Uiso 1 1 calc R . .
H49C H -0.0853 0.6320 0.2580 0.326 Uiso 1 1 calc R . .
C50 C 0.3237(17) 0.6225(8) 0.3116(5) 0.085(5) Uani 1 1 d . . .
H50A H 0.2855 0.5831 0.3047 0.102 Uiso 1 1 calc R . .
H50B H 0.3327 0.6219 0.3378 0.102 Uiso 1 1 calc R . .
C51 C 0.525(2) 0.5384(10) 0.2904(7) 0.128(9) Uani 1 1 d . . .
H51A H 0.4706 0.5152 0.2749 0.192 Uiso 1 1 calc R . .
H51B H 0.5209 0.5214 0.3145 0.192 Uiso 1 1 calc R . .
H51C H 0.6059 0.5350 0.2813 0.192 Uiso 1 1 calc R . .
C52 C 0.582(2) 0.6560(15) 0.3248(5) 0.140(11) Uani 1 1 d . . .
H52A H 0.6582 0.6651 0.3136 0.211 Uiso 1 1 calc R . .
H52B H 0.5932 0.6256 0.3438 0.211 Uiso 1 1 calc R . .
H52C H 0.5485 0.6941 0.3349 0.211 Uiso 1 1 calc R . .
C53 C 0.5774(14) 0.6896(7) 0.2330(4) 0.067(4) Uani 1 1 d . . .
C54 C 0.6308(14) 0.7461(7) 0.2404(4) 0.073(4) Uani 1 1 d . . .
C55 C 0.7268(15) 0.7653(8) 0.2207(4) 0.075(4) Uani 1 1 d . . .
H55 H 0.7577 0.8051 0.2260 0.090 Uiso 1 1 calc R . .
C56 C 0.7840(17) 0.7323(8) 0.1936(5) 0.080(4) Uani 1 1 d . . .
H56 H 0.8514 0.7472 0.1811 0.097 Uiso 1 1 calc R . .
C57 C 0.7278(15) 0.6714(7) 0.1865(4) 0.072(4) Uani 1 1 d . . .
H57 H 0.7618 0.6458 0.1687 0.086 Uiso 1 1 calc R . .
C58 C 0.6270(13) 0.6497(7) 0.2046(4) 0.061(3) Uani 1 1 d . . .
C59 C 0.5778(17) 0.5865(6) 0.1945(4) 0.070(4) Uani 1 1 d . . .
H59 H 0.5093 0.5778 0.2106 0.084 Uiso 1 1 calc R . .
C60 C 0.669(2) 0.5334(8) 0.1994(7) 0.118(8) Uani 1 1 d . . .
H60A H 0.7307 0.5365 0.1811 0.177 Uiso 1 1 d R . .
H60B H 0.6282 0.4936 0.1972 0.177 Uiso 1 1 d R . .
H60C H 0.7060 0.5364 0.2229 0.177 Uiso 1 1 d R . .
C61 C 0.5282(18) 0.5843(8) 0.1544(4) 0.086(5) Uani 1 1 d . . .
H61A H 0.4724 0.6185 0.1507 0.129 Uiso 1 1 calc R . .
H61B H 0.4874 0.5449 0.1504 0.129 Uiso 1 1 calc R . .
H61C H 0.5947 0.5882 0.1377 0.129 Uiso 1 1 calc R . .
C62 C 0.5787(14) 0.7914(8) 0.2687(5) 0.077(4) Uani 1 1 d . . .
H62 H 0.5152 0.7685 0.2817 0.093 Uiso 1 1 calc R . .
C63 C 0.5184(19) 0.8529(11) 0.2528(7) 0.117(7) Uani 1 1 d . . .
H63A H 0.5763 0.8868 0.2531 0.176 Uiso 1 1 calc R . .
H63B H 0.4496 0.8643 0.2673 0.176 Uiso 1 1 calc R . .
H63C H 0.4928 0.8453 0.2283 0.176 Uiso 1 1 calc R . .
C64 C 0.668(2) 0.8135(15) 0.2962(7) 0.166(14) Uani 1 1 d . . .
H64A H 0.7218 0.7795 0.3024 0.250 Uiso 1 1 calc R . .
H64B H 0.6259 0.8273 0.3175 0.250 Uiso 1 1 calc R . .
H64C H 0.7142 0.8480 0.2864 0.250 Uiso 1 1 calc R . .
C65 C 0.0160(17) 0.8078(9) 0.2777(5) 0.091(5) Uani 1 1 d . . .
H65A H -0.0309 0.7724 0.2694 0.136 Uiso 1 1 calc R . .
H65B H -0.0372 0.8390 0.2877 0.136 Uiso 1 1 calc R . .
H65C H 0.0721 0.7939 0.2959 0.136 Uiso 1 1 calc R . .
C66 C 0.1891(15) 0.9148(6) 0.2547(5) 0.076(4) Uani 1 1 d . . .
H66A H 0.2516 0.9017 0.2711 0.114 Uiso 1 1 calc R . .
H66B H 0.1344 0.9429 0.2669 0.114 Uiso 1 1 calc R . .
H66C H 0.2251 0.9361 0.2344 0.114 Uiso 1 1 calc R . .
C67 C -0.0086(16) 0.8770(7) 0.2056(5) 0.078(4) Uani 1 1 d . . .
H67A H 0.0337 0.8949 0.1853 0.118 Uiso 1 1 calc R . .
H67B H -0.0551 0.9092 0.2174 0.118 Uiso 1 1 calc R . .
H67C H -0.0619 0.8442 0.1972 0.118 Uiso 1 1 calc R . .
C68 C 0.308(3) 0.8741(9) 0.1629(6) 0.133(10) Uani 1 1 d . . .
H68A H 0.2434 0.8986 0.1525 0.200 Uiso 1 1 calc R . .
H68B H 0.3718 0.8692 0.1455 0.200 Uiso 1 1 calc R . .
H68C H 0.3386 0.8952 0.1840 0.200 Uiso 1 1 calc R . .
C69 C 0.130(3) 0.7794(15) 0.1409(5) 0.168(15) Uani 1 1 d . . .
H69A H 0.1429 0.7380 0.1312 0.252 Uiso 1 1 d R . .
H69B H 0.1333 0.8099 0.1217 0.252 Uiso 1 1 d R . .
H69C H 0.0515 0.7811 0.1522 0.252 Uiso 1 1 d R . .
C70 C 0.3713(18) 0.7337(9) 0.1672(5) 0.090(5) Uani 1 1 d . . .
H70A H 0.4480 0.7538 0.1629 0.135 Uiso 1 1 calc R . .
H70B H 0.3492 0.7091 0.1463 0.135 Uiso 1 1 calc R . .
H70C H 0.3774 0.7067 0.1880 0.135 Uiso 1 1 calc R . .
C71 C 0.234(3) 0.5546(12) 0.2174(8) 0.140(9) Uani 1 1 d U . .
H71A H 0.2566 0.5457 0.2423 0.168 Uiso 1 1 calc R . .
H71B H 0.3065 0.5502 0.2027 0.168 Uiso 1 1 calc R . .
C72 C 0.145(3) 0.5065(16) 0.2056(10) 0.182(13) Uani 1 1 d DU . .
H72A H 0.1110 0.4838 0.2260 0.218 Uiso 1 1 calc R . .
H72B H 0.1806 0.4767 0.1887 0.218 Uiso 1 1 calc R . .
C73 C 0.050(4) 0.5482(16) 0.1871(11) 0.207(16) Uani 1 1 d DU . .
H73A H -0.0299 0.5408 0.1975 0.248 Uiso 1 1 calc R . .
H73B H 0.0459 0.5391 0.1613 0.248 Uiso 1 1 calc R . .
C74 C 0.091(3) 0.6204(13) 0.1937(9) 0.181(16) Uani 1 1 d . . .
H74A H 0.1087 0.6406 0.1707 0.217 Uiso 1 1 calc R . .
H74B H 0.0265 0.6437 0.2055 0.217 Uiso 1 1 calc R . .
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 0.0000 '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 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 0.0000 '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
N1 Y1 N2 94.8(4) . . ?
N1 Y1 N3 131.5(5) . . ?
N2 Y1 N3 126.7(5) . . ?
N1 Y1 O1 101.8(5) . . ?
N2 Y1 O1 98.9(4) . . ?
N3 Y1 O1 95.9(5) . . ?
N1 Y1 Si1 64.8(3) . . ?
N2 Y1 Si1 31.7(3) . . ?
N3 Y1 Si1 157.7(3) . . ?
O1 Y1 Si1 94.5(3) . . ?
N1 Y1 Si2 105.4(3) . . ?
N2 Y1 Si2 145.2(3) . . ?
N3 Y1 Si2 26.1(4) . . ?
O1 Y1 Si2 104.2(3) . . ?
Si1 Y1 Si2 160.50(11) . . ?
N1 Y1 Si3 157.9(3) . . ?
N2 Y1 Si3 104.8(3) . . ?
N3 Y1 Si3 26.5(4) . . ?
O1 Y1 Si3 85.3(3) . . ?
Si1 Y1 Si3 136.04(11) . . ?
Si2 Y1 Si3 52.56(12) . . ?
N4 Y2 N5 92.1(5) . . ?
N4 Y2 N6 122.9(4) . . ?
N5 Y2 N6 132.4(4) . . ?
N4 Y2 O2 100.6(4) . . ?
N5 Y2 O2 100.6(5) . . ?
N6 Y2 O2 102.8(4) . . ?
N4 Y2 Si4 61.4(3) . . ?
N5 Y2 Si4 31.5(3) . . ?
N6 Y2 Si4 156.6(3) . . ?
O2 Y2 Si4 98.4(3) . . ?
N2 Si1 C13 105.2(6) . . ?
N2 Si1 C14 113.5(7) . . ?
C13 Si1 C14 110.6(7) . . ?
N2 Si1 C15 117.9(6) . . ?
C13 Si1 C15 103.0(7) . . ?
C14 Si1 C15 106.0(8) . . ?
N2 Si1 Y1 42.2(4) . . ?
C13 Si1 Y1 63.1(4) . . ?
C14 Si1 Y1 128.1(5) . . ?
C15 Si1 Y1 125.8(5) . . ?
N3 Si2 C29 114.9(9) . . ?
N3 Si2 C28 105.8(8) . . ?
C29 Si2 C28 105.0(9) . . ?
N3 Si2 C30 112.4(10) . . ?
C29 Si2 C30 109.4(15) . . ?
C28 Si2 C30 108.8(13) . . ?
N3 Si2 Y1 35.5(5) . . ?
C29 Si2 Y1 118.7(8) . . ?
C28 Si2 Y1 70.9(6) . . ?
C30 Si2 Y1 130.3(12) . . ?
N3 Si3 C31 113.8(8) . . ?
N3 Si3 C33 109.8(8) . . ?
C31 Si3 C33 104.0(14) . . ?
N3 Si3 C32 110.5(11) . . ?
C31 Si3 C32 108.3(13) . . ?
C33 Si3 C32 110.4(14) . . ?
N3 Si3 Y1 34.2(5) . . ?
C31 Si3 Y1 133.4(9) . . ?
C33 Si3 Y1 77.0(7) . . ?
C32 Si3 Y1 114.9(9) . . ?
N5 Si4 C52 114.2(9) . . ?
N5 Si4 C50 107.7(7) . . ?
C52 Si4 C50 108.0(10) . . ?
N5 Si4 C51 121.1(9) . . ?
C52 Si4 C51 101.2(13) . . ?
C50 Si4 C51 103.6(9) . . ?
N5 Si4 Y2 41.4(4) . . ?
C52 Si4 Y2 126.2(10) . . ?
C50 Si4 Y2 66.2(5) . . ?
C51 Si4 Y2 132.5(9) . . ?
N6 Si5 C67 113.8(7) . . ?
N6 Si5 C66 112.0(7) . . ?
C67 Si5 C66 103.4(7) . . ?
N6 Si5 C65 110.4(7) . . ?
C67 Si5 C65 108.3(8) . . ?
C66 Si5 C65 108.7(8) . . ?
N6 Si6 C68 117.2(8) . . ?
N6 Si6 C69 112.2(9) . . ?
C68 Si6 C69 104.0(13) . . ?
N6 Si6 C70 108.5(7) . . ?
C68 Si6 C70 110.0(11) . . ?
C69 Si6 C70 104.2(9) . . ?
C34 O1 C37 109.8(14) . . ?
C34 O1 Y1 123.7(12) . . ?
C37 O1 Y1 126.2(9) . . ?
C74 O2 C71 106.2(18) . . ?
C74 O2 Y2 128.9(15) . . ?
C71 O2 Y2 124.7(14) . . ?
C1 N1 C13 109.5(11) . . ?
C1 N1 Y1 148.2(10) . . ?
C13 N1 Y1 101.0(8) . . ?
C16 N2 Si1 126.7(9) . . ?
C16 N2 Y1 122.8(9) . . ?
Si1 N2 Y1 106.1(5) . . ?
Si2 N3 Si3 122.3(8) . . ?
Si2 N3 Y1 118.4(7) . . ?
Si3 N3 Y1 119.3(7) . . ?
C38 N4 C50 112.8(11) . . ?
C38 N4 Y2 140.5(9) . . ?
C50 N4 Y2 106.7(9) . . ?
C53 N5 Si4 120.8(10) . . ?
C53 N5 Y2 130.2(9) . . ?
Si4 N5 Y2 107.0(6) . . ?
Si5 N6 Si6 120.7(7) . . ?
Si5 N6 Y2 127.7(6) . . ?
Si6 N6 Y2 111.4(6) . . ?
N1 C1 C6 122.9(15) . . ?
N1 C1 C2 118.1(13) . . ?
C6 C1 C2 118.8(14) . . ?
C3 C2 C1 117.8(17) . . ?
C3 C2 C10 120.5(16) . . ?
C1 C2 C10 121.6(12) . . ?
C4 C3 C2 124(2) . . ?
C4 C3 H3 117.9 . . ?
C2 C3 H3 117.9 . . ?
C3 C4 C5 117.9(17) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
C6 C5 C4 119.5(18) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C1 121.6(19) . . ?
C5 C6 C7 117.5(18) . . ?
C1 C6 C7 120.4(16) . . ?
C6 C7 C9 112.8(19) . . ?
C6 C7 C8 108.8(17) . . ?
C9 C7 C8 112.7(17) . . ?
C6 C7 H7 107.5 . . ?
C9 C7 H7 107.5 . . ?
C8 C7 H7 107.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C2 114.1(18) . . ?
C11 C10 C12 105.2(17) . . ?
C2 C10 C12 110.8(17) . . ?
C11 C10 H10 108.9 . . ?
C2 C10 H10 108.9 . . ?
C12 C10 H10 108.9 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 Si1 118.3(9) . . ?
N1 C13 H13A 107.7 . . ?
Si1 C13 H13A 107.7 . . ?
N1 C13 H13B 107.7 . . ?
Si1 C13 H13B 107.7 . . ?
H13A C13 H13B 107.1 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 N2 122.6(14) . . ?
C21 C16 C17 117.2(14) . . ?
N2 C16 C17 119.8(15) . . ?
C18 C17 C16 119.6(19) . . ?
C18 C17 C25 121.3(16) . . ?
C16 C17 C25 119.1(14) . . ?
C19 C18 C17 124.2(19) . . ?
C19 C18 H18 117.9 . . ?
C17 C18 H18 117.9 . . ?
C18 C19 C20 118.0(19) . . ?
C18 C19 H19 121.0 . . ?
C20 C19 H19 121.0 . . ?
C21 C20 C19 120(2) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C16 C21 C22 124.2(14) . . ?
C16 C21 C20 120.0(19) . . ?
C22 C21 C20 115.6(19) . . ?
C21 C22 C23 111.0(15) . . ?
C21 C22 C24 114.5(16) . . ?
C23 C22 C24 112.8(16) . . ?
C21 C22 H22 105.9 . . ?
C23 C22 H22 105.9 . . ?
C24 C22 H22 105.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C27 113(2) . . ?
C26 C25 C17 114.0(19) . . ?
C27 C25 C17 102(2) . . ?
C26 C25 H25 109.2 . . ?
C27 C25 H25 109.2 . . ?
C17 C25 H25 109.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 108.5 . . ?
Si2 C30 H30B 109.4 . . ?
H30A C30 H30B 109.5 . . ?
Si2 C30 H30C 110.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si3 C31 H31A 109.5 . . ?
Si3 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si3 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si3 C32 H32A 109.5 . . ?
Si3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si3 C33 H33A 109.5 . . ?
Si3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O1 C34 C35 106.4(17) . . ?
O1 C34 H34A 110.5 . . ?
C35 C34 H34A 110.5 . . ?
O1 C34 H34B 110.5 . . ?
C35 C34 H34B 110.5 . . ?
H34A C34 H34B 108.6 . . ?
C34 C35 C36 100.1(19) . . ?
C34 C35 H35A 111.8 . . ?
C36 C35 H35A 111.8 . . ?
C34 C35 H35B 111.8 . . ?
C36 C35 H35B 111.8 . . ?
H35A C35 H35B 109.5 . . ?
C37 C36 C35 95.3(16) . . ?
C37 C36 H36A 112.7 . . ?
C35 C36 H36A 112.7 . . ?
C37 C36 H36B 112.7 . . ?
C35 C36 H36B 112.7 . . ?
H36A C36 H36B 110.2 . . ?
O1 C37 C36 107.8(13) . . ?
O1 C37 H37A 110.1 . . ?
C36 C37 H37A 110.1 . . ?
O1 C37 H37B 110.1 . . ?
C36 C37 H37B 110.1 . . ?
H37A C37 H37B 108.5 . . ?
C43 C38 N4 122.6(13) . . ?
C43 C38 C39 117.3(14) . . ?
N4 C38 C39 120.0(14) . . ?
C40 C39 C38 121.3(16) . . ?
C40 C39 C47 117.8(15) . . ?
C38 C39 C47 121.0(15) . . ?
C41 C40 C39 122.1(18) . . ?
C41 C40 H40 118.9 . . ?
C39 C40 H40 118.9 . . ?
C40 C41 C42 117.3(16) . . ?
C40 C41 H41 121.4 . . ?
C42 C41 H41 121.4 . . ?
C43 C42 C41 120.9(16) . . ?
C43 C42 H42 119.5 . . ?
C41 C42 H42 119.6 . . ?
C38 C43 C42 121.0(16) . . ?
C38 C43 C44 118.3(14) . . ?
C42 C43 C44 120.7(16) . . ?
C43 C44 C46 115.0(17) . . ?
C43 C44 C45 104.9(19) . . ?
C46 C44 C45 106.9(18) . . ?
C43 C44 H44 109.9 . . ?
C46 C44 H44 109.9 . . ?
C45 C44 H44 109.9 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C49 C47 C48 107(2) . . ?
C49 C47 C39 114.8(19) . . ?
C48 C47 C39 108.5(18) . . ?
C49 C47 H47 108.8 . . ?
C48 C47 H47 108.8 . . ?
C39 C47 H47 108.8 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N4 C50 Si4 117.2(11) . . ?
N4 C50 H50A 108.0 . . ?
Si4 C50 H50A 108.0 . . ?
N4 C50 H50B 108.0 . . ?
Si4 C50 H50B 108.0 . . ?
H50A C50 H50B 107.2 . . ?
Si4 C51 H51A 109.5 . . ?
Si4 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si4 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Si4 C52 H52A 109.5 . . ?
Si4 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si4 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 N5 122.3(14) . . ?
C54 C53 C58 119.5(15) . . ?
N5 C53 C58 118.1(13) . . ?
C55 C54 C53 120.0(16) . . ?
C55 C54 C62 118.1(15) . . ?
C53 C54 C62 121.7(15) . . ?
C54 C55 C56 126.7(17) . . ?
C54 C55 H55 116.6 . . ?
C56 C55 H55 116.6 . . ?
C55 C56 C57 112.8(17) . . ?
C55 C56 H56 123.6 . . ?
C57 C56 H56 123.6 . . ?
C58 C57 C56 123.6(15) . . ?
C58 C57 H57 118.2 . . ?
C56 C57 H57 118.2 . . ?
C57 C58 C53 117.4(14) . . ?
C57 C58 C59 118.2(13) . . ?
C53 C58 C59 124.4(14) . . ?
C58 C59 C60 113.2(15) . . ?
C58 C59 C61 112.8(12) . . ?
C60 C59 C61 108.7(13) . . ?
C58 C59 H59 107.3 . . ?
C60 C59 H59 107.3 . . ?
C61 C59 H59 107.3 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.1 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.8 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C64 C62 C54 114.4(16) . . ?
C64 C62 C63 105.8(18) . . ?
C54 C62 C63 115.1(15) . . ?
C64 C62 H62 107.0 . . ?
C54 C62 H62 107.0 . . ?
C63 C62 H62 107.0 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
Si5 C65 H65A 109.5 . . ?
Si5 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
Si5 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
Si5 C66 H66A 109.5 . . ?
Si5 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
Si5 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
Si5 C67 H67A 109.5 . . ?
Si5 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
Si5 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
Si6 C68 H68A 109.5 . . ?
Si6 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
Si6 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
Si6 C69 H69A 109.0 . . ?
Si6 C69 H69B 110.2 . . ?
H69A C69 H69B 109.5 . . ?
Si6 C69 H69C 109.2 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
Si6 C70 H70A 109.5 . . ?
Si6 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
Si6 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O2 C71 C72 116(2) . . ?
O2 C71 H71A 108.3 . . ?
C72 C71 H71A 108.3 . . ?
O2 C71 H71B 108.3 . . ?
C72 C71 H71B 108.3 . . ?
H71A C71 H71B 107.4 . . ?
C71 C72 C73 101(3) . . ?
C71 C72 H72A 111.6 . . ?
C73 C72 H72A 111.6 . . ?
C71 C72 H72B 111.6 . . ?
C73 C72 H72B 111.6 . . ?
H72A C72 H72B 109.4 . . ?
C72 C73 C74 106(3) . . ?
C72 C73 H73A 110.4 . . ?
C74 C73 H73A 110.4 . . ?
C72 C73 H73B 110.4 . . ?
C74 C73 H73B 110.4 . . ?
H73A C73 H73B 108.6 . . ?
O2 C74 C73 109(2) . . ?
O2 C74 H74A 109.9 . . ?
C73 C74 H74A 109.9 . . ?
O2 C74 H74B 109.9 . . ?
C73 C74 H74B 109.9 . . ?
H74A C74 H74B 108.3 . . ?
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
Y1 N1 2.103(12) . ?
Y1 N2 2.193(12) . ?
Y1 N3 2.223(14) . ?
Y1 O1 2.294(11) . ?
Y1 Si1 3.138(4) . ?
Y1 Si2 3.366(5) . ?
Y1 Si3 3.446(5) . ?
Y2 N4 2.174(11) . ?
Y2 N5 2.222(12) . ?
Y2 N6 2.250(11) . ?
Y2 O2 2.294(11) . ?
Y2 Si4 3.209(5) . ?
Si1 N2 1.717(12) . ?
Si1 C13 1.880(13) . ?
Si1 C14 1.910(15) . ?
Si1 C15 1.931(17) . ?
Si2 N3 1.682(14) . ?
Si2 C29 1.85(2) . ?
Si2 C28 1.869(19) . ?
Si2 C30 1.88(2) . ?
Si3 N3 1.762(14) . ?
Si3 C31 1.91(2) . ?
Si3 C33 1.94(2) . ?
Si3 C32 1.98(3) . ?
Si4 N5 1.754(14) . ?
Si4 C52 1.82(2) . ?
Si4 C50 1.858(19) . ?
Si4 C51 1.90(2) . ?
Si5 N6 1.713(12) . ?
Si5 C67 1.862(17) . ?
Si5 C66 1.894(14) . ?
Si5 C65 1.903(18) . ?
Si6 N6 1.720(12) . ?
Si6 C68 1.82(2) . ?
Si6 C69 1.88(3) . ?
Si6 C70 1.913(17) . ?
O1 C34 1.39(2) . ?
O1 C37 1.46(2) . ?
O2 C74 1.38(2) . ?
O2 C71 1.47(3) . ?
N1 C1 1.410(17) . ?
N1 C13 1.541(18) . ?
N2 C16 1.405(17) . ?
N4 C38 1.390(17) . ?
N4 C50 1.522(19) . ?
N5 C53 1.439(19) . ?
C1 C6 1.44(2) . ?
C1 C2 1.45(2) . ?
C2 C3 1.40(2) . ?
C2 C10 1.50(3) . ?
C3 C4 1.34(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.52(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.34(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.50(3) . ?
C7 C9 1.52(3) . ?
C7 C8 1.53(2) . ?
C7 H7 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.47(3) . ?
C10 C12 1.56(3) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C21 1.39(2) . ?
C16 C17 1.45(2) . ?
C17 C18 1.41(2) . ?
C17 C25 1.65(3) . ?
C18 C19 1.29(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.44(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.44(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.42(2) . ?
C22 C23 1.55(3) . ?
C22 C24 1.56(3) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.50(3) . ?
C25 C27 1.61(3) . ?
C25 H25 0.9800 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.54(3) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.65(3) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.53(2) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C43 1.37(2) . ?
C38 C39 1.41(2) . ?
C39 C40 1.40(2) . ?
C39 C47 1.55(2) . ?
C40 C41 1.33(2) . ?
C40 H40 0.9300 . ?
C41 C42 1.43(3) . ?
C41 H41 0.9300 . ?
C42 C43 1.40(2) . ?
C42 H42 0.9300 . ?
C43 C44 1.53(3) . ?
C44 C46 1.57(3) . ?
C44 C45 1.63(3) . ?
C44 H44 0.9800 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 C49 1.546(10) . ?
C47 C48 1.549(10) . ?
C47 H47 0.9800 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 C54 1.36(2) . ?
C53 C58 1.45(2) . ?
C54 C55 1.35(2) . ?
C54 C62 1.53(2) . ?
C55 C56 1.38(2) . ?
C55 H55 0.9300 . ?
C56 C57 1.46(2) . ?
C56 H56 0.9300 . ?
C57 C58 1.38(2) . ?
C57 H57 0.9300 . ?
C58 C59 1.49(2) . ?
C59 C60 1.52(2) . ?
C59 C61 1.58(2) . ?
C59 H59 0.9800 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 C64 1.49(3) . ?
C62 C63 1.58(3) . ?
C62 H62 0.9800 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 C72 1.48(4) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 C73 1.535(10) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 C74 1.62(4) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?
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
N1 Y1 Si1 N2 159.5(7) . . . . ?
N3 Y1 Si1 N2 18.2(11) . . . . ?
O1 Y1 Si1 N2 -99.5(7) . . . . ?
Si2 Y1 Si1 N2 96.2(7) . . . . ?
Si3 Y1 Si1 N2 -11.5(6) . . . . ?
N1 Y1 Si1 C13 -20.0(6) . . . . ?
N2 Y1 Si1 C13 -179.5(8) . . . . ?
N3 Y1 Si1 C13 -161.4(10) . . . . ?
O1 Y1 Si1 C13 80.9(6) . . . . ?
Si2 Y1 Si1 C13 -83.3(6) . . . . ?
Si3 Y1 Si1 C13 168.9(5) . . . . ?
N1 Y1 Si1 C14 76.0(8) . . . . ?
N2 Y1 Si1 C14 -83.6(9) . . . . ?
N3 Y1 Si1 C14 -65.4(12) . . . . ?
O1 Y1 Si1 C14 176.9(8) . . . . ?
Si2 Y1 Si1 C14 12.7(8) . . . . ?
Si3 Y1 Si1 C14 -95.1(7) . . . . ?
N1 Y1 Si1 C15 -106.9(7) . . . . ?
N2 Y1 Si1 C15 93.6(8) . . . . ?
N3 Y1 Si1 C15 111.8(11) . . . . ?
O1 Y1 Si1 C15 -6.0(7) . . . . ?
Si2 Y1 Si1 C15 -170.2(6) . . . . ?
Si3 Y1 Si1 C15 82.0(6) . . . . ?
N1 Y1 Si2 N3 -179.2(9) . . . . ?
N2 Y1 Si2 N3 -56.0(9) . . . . ?
O1 Y1 Si2 N3 74.0(8) . . . . ?
Si1 Y1 Si2 N3 -122.2(8) . . . . ?
Si3 Y1 Si2 N3 1.4(8) . . . . ?
N1 Y1 Si2 C29 87.4(9) . . . . ?
N2 Y1 Si2 C29 -149.4(9) . . . . ?
N3 Y1 Si2 C29 -93.4(11) . . . . ?
O1 Y1 Si2 C29 -19.4(9) . . . . ?
Si1 Y1 Si2 C29 144.4(8) . . . . ?
Si3 Y1 Si2 C29 -92.0(8) . . . . ?
N1 Y1 Si2 C28 -9.6(8) . . . . ?
N2 Y1 Si2 C28 113.6(8) . . . . ?
N3 Y1 Si2 C28 169.6(10) . . . . ?
O1 Y1 Si2 C28 -116.4(8) . . . . ?
Si1 Y1 Si2 C28 47.4(8) . . . . ?
Si3 Y1 Si2 C28 171.0(7) . . . . ?
N1 Y1 Si2 C30 -108.4(14) . . . . ?
N2 Y1 Si2 C30 14.8(15) . . . . ?
N3 Y1 Si2 C30 70.8(16) . . . . ?
O1 Y1 Si2 C30 144.8(14) . . . . ?
Si1 Y1 Si2 C30 -51.4(15) . . . . ?
Si3 Y1 Si2 C30 72.2(14) . . . . ?
N1 Y1 Si3 N3 -3.0(12) . . . . ?
N2 Y1 Si3 N3 148.8(8) . . . . ?
O1 Y1 Si3 N3 -113.3(8) . . . . ?
Si1 Y1 Si3 N3 155.0(8) . . . . ?
Si2 Y1 Si3 N3 -1.4(8) . . . . ?
N1 Y1 Si3 C31 63.1(16) . . . . ?
N2 Y1 Si3 C31 -145.1(12) . . . . ?
N3 Y1 Si3 C31 66.1(14) . . . . ?
O1 Y1 Si3 C31 -47.2(13) . . . . ?
Si1 Y1 Si3 C31 -138.9(12) . . . . ?
Si2 Y1 Si3 C31 64.7(12) . . . . ?
N1 Y1 Si3 C33 160.1(15) . . . . ?
N2 Y1 Si3 C33 -48.1(12) . . . . ?
N3 Y1 Si3 C33 163.1(14) . . . . ?
O1 Y1 Si3 C33 49.8(12) . . . . ?
Si1 Y1 Si3 C33 -41.9(12) . . . . ?
Si2 Y1 Si3 C33 161.7(12) . . . . ?
N1 Y1 Si3 C32 -93.2(15) . . . . ?
N2 Y1 Si3 C32 58.6(12) . . . . ?
N3 Y1 Si3 C32 -90.2(14) . . . . ?
O1 Y1 Si3 C32 156.5(12) . . . . ?
Si1 Y1 Si3 C32 64.8(12) . . . . ?
Si2 Y1 Si3 C32 -91.6(12) . . . . ?
N4 Y2 Si4 N5 -165.9(7) . . . . ?
N6 Y2 Si4 N5 -58.4(10) . . . . ?
O2 Y2 Si4 N5 96.6(7) . . . . ?
N4 Y2 Si4 C52 -79.4(9) . . . . ?
N5 Y2 Si4 C52 86.5(11) . . . . ?
N6 Y2 Si4 C52 28.0(12) . . . . ?
O2 Y2 Si4 C52 -177.0(10) . . . . ?
N4 Y2 Si4 C50 16.1(7) . . . . ?
N5 Y2 Si4 C50 -178.0(10) . . . . ?
N6 Y2 Si4 C50 123.5(10) . . . . ?
O2 Y2 Si4 C50 -81.5(8) . . . . ?
N4 Y2 Si4 C51 102.9(10) . . . . ?
N5 Y2 Si4 C51 -91.2(12) . . . . ?
N6 Y2 Si4 C51 -149.7(12) . . . . ?
O2 Y2 Si4 C51 5.3(10) . . . . ?
N1 Y1 O1 C34 -90.4(15) . . . . ?
N2 Y1 O1 C34 172.7(15) . . . . ?
N3 Y1 O1 C34 44.2(15) . . . . ?
Si1 Y1 O1 C34 -155.6(15) . . . . ?
Si2 Y1 O1 C34 19.0(15) . . . . ?
Si3 Y1 O1 C34 68.5(15) . . . . ?
N1 Y1 O1 C37 83.7(14) . . . . ?
N2 Y1 O1 C37 -13.2(14) . . . . ?
N3 Y1 O1 C37 -141.8(14) . . . . ?
Si1 Y1 O1 C37 18.5(14) . . . . ?
Si2 Y1 O1 C37 -166.9(13) . . . . ?
Si3 Y1 O1 C37 -117.4(14) . . . . ?
N4 Y2 O2 C74 109(2) . . . . ?
N5 Y2 O2 C74 -156(2) . . . . ?
N6 Y2 O2 C74 -18(2) . . . . ?
Si4 Y2 O2 C74 172(2) . . . . ?
N4 Y2 O2 C71 -65.1(18) . . . . ?
N5 Y2 O2 C71 29.1(18) . . . . ?
N6 Y2 O2 C71 167.3(18) . . . . ?
Si4 Y2 O2 C71 -2.8(18) . . . . ?
N2 Y1 N1 C1 -163(2) . . . . ?
N3 Y1 N1 C1 -12(2) . . . . ?
O1 Y1 N1 C1 97(2) . . . . ?
Si1 Y1 N1 C1 -174(2) . . . . ?
Si2 Y1 N1 C1 -12(2) . . . . ?
Si3 Y1 N1 C1 -11(3) . . . . ?
N2 Y1 N1 C13 32.9(8) . . . . ?
N3 Y1 N1 C13 -176.2(7) . . . . ?
O1 Y1 N1 C13 -67.2(8) . . . . ?
Si1 Y1 N1 C13 22.3(7) . . . . ?
Si2 Y1 N1 C13 -175.7(7) . . . . ?
Si3 Y1 N1 C13 -174.4(7) . . . . ?
C13 Si1 N2 C16 -156.4(13) . . . . ?
C14 Si1 N2 C16 -35.3(15) . . . . ?
C15 Si1 N2 C16 89.5(14) . . . . ?
Y1 Si1 N2 C16 -156.8(16) . . . . ?
C13 Si1 N2 Y1 0.4(7) . . . . ?
C14 Si1 N2 Y1 121.5(7) . . . . ?
C15 Si1 N2 Y1 -113.7(7) . . . . ?
N1 Y1 N2 C16 139.4(11) . . . . ?
N3 Y1 N2 C16 -13.6(13) . . . . ?
O1 Y1 N2 C16 -117.8(11) . . . . ?
Si1 Y1 N2 C16 157.9(14) . . . . ?
Si2 Y1 N2 C16 13.5(14) . . . . ?
Si3 Y1 N2 C16 -30.3(11) . . . . ?
N1 Y1 N2 Si1 -18.5(6) . . . . ?
N3 Y1 N2 Si1 -171.5(5) . . . . ?
O1 Y1 N2 Si1 84.3(6) . . . . ?
Si2 Y1 N2 Si1 -144.5(4) . . . . ?
Si3 Y1 N2 Si1 171.7(4) . . . . ?
C29 Si2 N3 Si3 -72.3(12) . . . . ?
C28 Si2 N3 Si3 172.4(10) . . . . ?
C30 Si2 N3 Si3 53.7(17) . . . . ?
Y1 Si2 N3 Si3 -177.4(14) . . . . ?
C29 Si2 N3 Y1 105.1(10) . . . . ?
C28 Si2 N3 Y1 -10.2(10) . . . . ?
C30 Si2 N3 Y1 -128.9(16) . . . . ?
C31 Si3 N3 Si2 43.9(15) . . . . ?
C33 Si3 N3 Si2 159.9(14) . . . . ?
C32 Si3 N3 Si2 -78.1(14) . . . . ?
Y1 Si3 N3 Si2 177.4(14) . . . . ?
C31 Si3 N3 Y1 -133.5(12) . . . . ?
C33 Si3 N3 Y1 -17.5(15) . . . . ?
C32 Si3 N3 Y1 104.5(12) . . . . ?
N1 Y1 N3 Si2 1.0(11) . . . . ?
N2 Y1 N3 Si2 143.8(6) . . . . ?
O1 Y1 N3 Si2 -110.5(8) . . . . ?
Si1 Y1 N3 Si2 132.0(7) . . . . ?
Si3 Y1 N3 Si2 -177.5(14) . . . . ?
N1 Y1 N3 Si3 178.5(6) . . . . ?
N2 Y1 N3 Si3 -38.7(10) . . . . ?
O1 Y1 N3 Si3 67.0(8) . . . . ?
Si1 Y1 N3 Si3 -50.5(14) . . . . ?
Si2 Y1 N3 Si3 177.5(14) . . . . ?
N5 Y2 N4 C38 153.2(15) . . . . ?
N6 Y2 N4 C38 7.3(17) . . . . ?
O2 Y2 N4 C38 -105.7(15) . . . . ?
Si4 Y2 N4 C38 160.5(16) . . . . ?
N5 Y2 N4 C50 -26.2(10) . . . . ?
N6 Y2 N4 C50 -172.0(9) . . . . ?
O2 Y2 N4 C50 75.0(10) . . . . ?
Si4 Y2 N4 C50 -18.8(9) . . . . ?
C52 Si4 N5 C53 47.6(16) . . . . ?
C50 Si4 N5 C53 167.5(12) . . . . ?
C51 Si4 N5 C53 -73.8(16) . . . . ?
Y2 Si4 N5 C53 165.7(15) . . . . ?
C52 Si4 N5 Y2 -118.0(11) . . . . ?
C50 Si4 N5 Y2 1.9(9) . . . . ?
C51 Si4 N5 Y2 120.6(10) . . . . ?
N4 Y2 N5 C53 -151.4(13) . . . . ?
N6 Y2 N5 C53 -11.0(15) . . . . ?
O2 Y2 N5 C53 107.4(13) . . . . ?
Si4 Y2 N5 C53 -163.8(17) . . . . ?
N4 Y2 N5 Si4 12.4(6) . . . . ?
N6 Y2 N5 Si4 152.8(5) . . . . ?
O2 Y2 N5 Si4 -88.8(7) . . . . ?
C67 Si5 N6 Si6 37.2(10) . . . . ?
C66 Si5 N6 Si6 -79.6(9) . . . . ?
C65 Si5 N6 Si6 159.2(9) . . . . ?
C67 Si5 N6 Y2 -147.8(8) . . . . ?
C66 Si5 N6 Y2 95.4(9) . . . . ?
C65 Si5 N6 Y2 -25.8(11) . . . . ?
C68 Si6 N6 Si5 45.9(14) . . . . ?
C69 Si6 N6 Si5 -74.4(12) . . . . ?
C70 Si6 N6 Si5 171.1(9) . . . . ?
C68 Si6 N6 Y2 -129.8(12) . . . . ?
C69 Si6 N6 Y2 109.9(10) . . . . ?
C70 Si6 N6 Y2 -4.7(9) . . . . ?
N4 Y2 N6 Si5 3.9(10) . . . . ?
N5 Y2 N6 Si5 -126.7(7) . . . . ?
O2 Y2 N6 Si5 115.7(8) . . . . ?
Si4 Y2 N6 Si5 -89.7(10) . . . . ?
N4 Y2 N6 Si6 179.3(5) . . . . ?
N5 Y2 N6 Si6 48.6(8) . . . . ?
O2 Y2 N6 Si6 -68.9(6) . . . . ?
Si4 Y2 N6 Si6 85.7(9) . . . . ?
C13 N1 C1 C6 93.1(18) . . . . ?
Y1 N1 C1 C6 -70(3) . . . . ?
C13 N1 C1 C2 -91.6(16) . . . . ?
Y1 N1 C1 C2 105(2) . . . . ?
N1 C1 C2 C3 -177.7(16) . . . . ?
C6 C1 C2 C3 -2(3) . . . . ?
N1 C1 C2 C10 4(2) . . . . ?
C6 C1 C2 C10 179.3(16) . . . . ?
C1 C2 C3 C4 1(3) . . . . ?
C10 C2 C3 C4 180(2) . . . . ?
C2 C3 C4 C5 -1(4) . . . . ?
C3 C4 C5 C6 2(4) . . . . ?
C4 C5 C6 C1 -3(3) . . . . ?
C4 C5 C6 C7 -175(2) . . . . ?
N1 C1 C6 C5 178.6(19) . . . . ?
C2 C1 C6 C5 3(3) . . . . ?
N1 C1 C6 C7 -9(3) . . . . ?
C2 C1 C6 C7 175.5(16) . . . . ?
C5 C6 C7 C9 64(2) . . . . ?
C1 C6 C7 C9 -108.1(19) . . . . ?
C5 C6 C7 C8 -61(2) . . . . ?
C1 C6 C7 C8 126.2(19) . . . . ?
C3 C2 C10 C11 70(2) . . . . ?
C1 C2 C10 C11 -111.1(19) . . . . ?
C3 C2 C10 C12 -48(3) . . . . ?
C1 C2 C10 C12 130.4(18) . . . . ?
C1 N1 C13 Si1 148.3(10) . . . . ?
Y1 N1 C13 Si1 -40.6(11) . . . . ?
N2 Si1 C13 N1 28.4(12) . . . . ?
C14 Si1 C13 N1 -94.6(11) . . . . ?
C15 Si1 C13 N1 152.5(10) . . . . ?
Y1 Si1 C13 N1 28.7(9) . . . . ?
Si1 N2 C16 C21 100.9(16) . . . . ?
Y1 N2 C16 C21 -52.3(17) . . . . ?
Si1 N2 C16 C17 -86.2(16) . . . . ?
Y1 N2 C16 C17 120.6(13) . . . . ?
C21 C16 C17 C18 -2(2) . . . . ?
N2 C16 C17 C18 -175.1(14) . . . . ?
C21 C16 C17 C25 -178.5(14) . . . . ?
N2 C16 C17 C25 8(2) . . . . ?
C16 C17 C18 C19 6(3) . . . . ?
C25 C17 C18 C19 -176.9(18) . . . . ?
C17 C18 C19 C20 -9(3) . . . . ?
C18 C19 C20 C21 8(3) . . . . ?
N2 C16 C21 C22 -12(2) . . . . ?
C17 C16 C21 C22 174.8(14) . . . . ?
N2 C16 C21 C20 173.9(14) . . . . ?
C17 C16 C21 C20 1(2) . . . . ?
C19 C20 C21 C16 -4(3) . . . . ?
C19 C20 C21 C22 -178.2(16) . . . . ?
C16 C21 C22 C23 -107.0(19) . . . . ?
C20 C21 C22 C23 67(2) . . . . ?
C16 C21 C22 C24 123.8(17) . . . . ?
C20 C21 C22 C24 -61.9(19) . . . . ?
C18 C17 C25 C26 54(2) . . . . ?
C16 C17 C25 C26 -129.8(18) . . . . ?
C18 C17 C25 C27 -68.8(19) . . . . ?
C16 C17 C25 C27 107.8(18) . . . . ?
C37 O1 C34 C35 -13(2) . . . . ?
Y1 O1 C34 C35 161.8(14) . . . . ?
O1 C34 C35 C36 36(2) . . . . ?
C34 C35 C36 C37 -42.7(19) . . . . ?
C34 O1 C37 C36 -18(2) . . . . ?
Y1 O1 C37 C36 167.5(12) . . . . ?
C35 C36 C37 O1 37(2) . . . . ?
C50 N4 C38 C43 88.6(17) . . . . ?
Y2 N4 C38 C43 -90.7(18) . . . . ?
C50 N4 C38 C39 -92.9(16) . . . . ?
Y2 N4 C38 C39 87.8(18) . . . . ?
C43 C38 C39 C40 3(2) . . . . ?
N4 C38 C39 C40 -175.3(14) . . . . ?
C43 C38 C39 C47 -177.2(14) . . . . ?
N4 C38 C39 C47 4(2) . . . . ?
C38 C39 C40 C41 -2(3) . . . . ?
C47 C39 C40 C41 178.1(15) . . . . ?
C39 C40 C41 C42 2(2) . . . . ?
C40 C41 C42 C43 -3(2) . . . . ?
N4 C38 C43 C42 174.6(14) . . . . ?
C39 C38 C43 C42 -4(2) . . . . ?
N4 C38 C43 C44 -8(2) . . . . ?
C39 C38 C43 C44 173.6(15) . . . . ?
C41 C42 C43 C38 4(2) . . . . ?
C41 C42 C43 C44 -173.8(16) . . . . ?
C38 C43 C44 C46 -120.4(19) . . . . ?
C42 C43 C44 C46 57(3) . . . . ?
C38 C43 C44 C45 122.5(18) . . . . ?
C42 C43 C44 C45 -60(2) . . . . ?
C40 C39 C47 C49 60(3) . . . . ?
C38 C39 C47 C49 -120(2) . . . . ?
C40 C39 C47 C48 -60(2) . . . . ?
C38 C39 C47 C48 121(2) . . . . ?
C38 N4 C50 Si4 -146.1(12) . . . . ?
Y2 N4 C50 Si4 33.4(14) . . . . ?
N5 Si4 C50 N4 -24.3(15) . . . . ?
C52 Si4 C50 N4 99.5(15) . . . . ?
C51 Si4 C50 N4 -153.8(14) . . . . ?
Y2 Si4 C50 N4 -23.0(10) . . . . ?
Si4 N5 C53 C54 -90.7(16) . . . . ?
Y2 N5 C53 C54 71.3(18) . . . . ?
Si4 N5 C53 C58 92.6(14) . . . . ?
Y2 N5 C53 C58 -105.5(14) . . . . ?
N5 C53 C54 C55 -175.1(14) . . . . ?
C58 C53 C54 C55 2(2) . . . . ?
N5 C53 C54 C62 0(2) . . . . ?
C58 C53 C54 C62 176.8(14) . . . . ?
C53 C54 C55 C56 -3(3) . . . . ?
C62 C54 C55 C56 -178.2(17) . . . . ?
C54 C55 C56 C57 2(3) . . . . ?
C55 C56 C57 C58 1(2) . . . . ?
C56 C57 C58 C53 -2(2) . . . . ?
C56 C57 C58 C59 179.6(15) . . . . ?
C54 C53 C58 C57 1(2) . . . . ?
N5 C53 C58 C57 177.4(13) . . . . ?
C54 C53 C58 C59 179.0(14) . . . . ?
N5 C53 C58 C59 -4(2) . . . . ?
C57 C58 C59 C60 59(2) . . . . ?
C53 C58 C59 C60 -119.2(18) . . . . ?
C57 C58 C59 C61 -64.6(19) . . . . ?
C53 C58 C59 C61 117.0(16) . . . . ?
C55 C54 C62 C64 -56(3) . . . . ?
C53 C54 C62 C64 128(2) . . . . ?
C55 C54 C62 C63 66(2) . . . . ?
C53 C54 C62 C63 -108.8(18) . . . . ?
C74 O2 C71 C72 -15(4) . . . . ?
Y2 O2 C71 C72 160(2) . . . . ?
O2 C71 C72 C73 12(4) . . . . ?
C71 C72 C73 C74 -5(4) . . . . ?
C71 O2 C74 C73 10(4) . . . . ?
Y2 O2 C74 C73 -165(2) . . . . ?
C72 C73 C74 O2 -3(4) . . . . ?
