#------------------------------------------------------------------------------
#$Date: 2025-07-06 16:18:57 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 300610 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/41/1574132.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_1574132
loop_
_publ_author_name
'Xue, Tianjiao'
'Yang, Qing-Song'
'Li, Lei'
'Chang, Xiao-Yong'
'Ding, You-Song'
'Zheng, Zhiping'
_publ_section_title
;
 Supramolecular assemblies of tetravalent terbium complex units:
 syntheses, structure, and materials properties
;
_journal_issue                   16
_journal_name_full               'Chemical Science'
_journal_page_first              6805
_journal_page_last               6811
_journal_paper_doi               10.1039/D4SC08731C
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C84 H68 N2 O4 Si4 Tb, 3(C7 H8)'
_chemical_formula_sum            'C105 H92 N2 O4 Si4 Tb'
_chemical_formula_weight         1717.08
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2025-02-10
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-02-25 deposited with the CCDC.	2025-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                109.025(4)
_cell_angle_beta                 101.840(4)
_cell_angle_gamma                90.039(4)
_cell_formula_units_Z            4
_cell_length_a                   17.7840(16)
_cell_length_b                   21.250(2)
_cell_length_c                   25.315(3)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      54.23
_cell_measurement_theta_min      2.46
_cell_volume                     8828.2(16)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_unetI/netI     0.0893
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_number            31807
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.402
_diffrn_reflns_theta_min         2.070
_diffrn_source_current           2.49
_diffrn_source_power             0.1739265
_diffrn_source_voltage           69.85
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.765
_exptl_absorpt_correction_T_max  0.1434
_exptl_absorpt_correction_T_min  0.0466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1015 before and 0.0635 after correction.
 
For component 2:
 wR2(int) was 0.1116 before and 0.0698 after correction.
 The Ratio of minimum to maximum transmission is 0.33.

Final HKLF 4 output contains 174678 reflections, Rint = 0.0930
 (74710 with I > 3sig(I), Rint = 0.0620)
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_description       plate
_exptl_crystal_F_000             3556
_exptl_crystal_preparation       'Magnetic properties,Luminescent'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.767
_refine_diff_density_min         -1.145
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2095
_refine_ls_number_reflns         31807
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1250
_refine_ls_R_factor_gt           0.0800
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0825P)²+70.2203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1940
_refine_ls_wR_factor_ref         0.2201
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22264
_reflns_number_total             31807
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc08731c2.cif
_cod_data_source_block           2351768
_cod_depositor_comments
'Adding full bibliography for 1574130--1574134.cif.'
_cod_original_cell_volume        8828.1(15)
_cod_database_code               1574132
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.870
_shelx_estimated_absorpt_t_min   0.647
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(C197) \\sim Ueq, Uanis(C207) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C8(H8), C9(H9), C11(H11), C12(H12), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C24(H24), C26(H26), C27(H27), C31(H31),
  C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38),
 C40(H40), C41(H41), C42(H42), C46(H46), C48(H48), C50(H50), C52(H52), C53(H53),
  C55(H55), C56(H56), C59(H59), C61(H61), C62(H62), C63(H63), C64(H64),
 C65(H65), C66(H66), C67(H67), C68(H68), C69(H69), C71(H71), C72(H72), C73(H73),
  C74(H74), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79), C84(H84),
 C85(H85), C86(H86), C87(H87), C88(H88), C89(H89), C93(H93), C94(H94), C96(H96),
  C98(H98), C102(H102), C104(H104), C105(H105), C106(H106), C107(H107),
 C108(H108), C111(H111), C112(H112), C113(H113), C115(H115), C116(H116),
 C117(H117), C118(H118), C120(H120), C121(H121), C123(H123), C124(H124),
 C125(H125), C127(H127), C128(H128), C130(H130), C131(H131), C132(H132),
 C133(H133), C134(H134), C135(H135), C136(H136), C137(H137), C140(H140),
 C141(H141), C142(H142), C143(H143), C144(H144), C145(H145), C147(H147),
 C149(H149), C150(H150), C152(H152), C153(H153), C155(H155), C156(H156),
 C157(H157), C158(H158), C160(H160), C162(H162), C163(H163), C164(H164),
 C165(H165), C166(H166), C167(H167), C168(H168), C169(H169), C170(H170),
 C172(H172), C173(H173), C174(H174), C176(H176), C178(H178), C181(H181),
 C182(H182), C186(H186), C187(H187), C188(H188), C190(H190), C192(H192),
 C194(H194), C196(H196), C198(H198), C200(H200), C202(H202), C204(H204),
 C206(H206), C208(H208), C210(H210), C5(H5), C21(H21), C179(H179), C183(H183),
 C195(H195), C13(H13), C47(H47), C51(H51), C103(H103), C205(H205), C57(H57),
 C151(H151), C171(H171), C177(H177), C185(H185), C25(H25), C99(H99), C189(H189),
  C193(H193), C203(H203), C43(H43), C83(H83), C91(H91), C95(H95), C161(H161),
 C197(H197), C199(H199), C201(H201), C207(H207), C209(H209)
2.b Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C101(H10A,H10B,H10C), C81(H81A,H81B,H81C), C97(H97A,H97B,
 H97C), C191(H19A,H19B,H19C), C175(H17A,H17B,H17C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.95155(2) 0.23880(2) 0.28228(2) 0.02692(11) Uani 1 1 d . . . . .
Tb2 Tb 0.41927(2) 0.73591(2) 0.27609(2) 0.02676(11) Uani 1 1 d . . . . .
Si1 Si 1.10799(13) 0.14067(11) 0.23488(10) 0.0318(5) Uani 1 1 d . . . . .
Si2 Si 0.81168(14) 0.18557(12) 0.14432(10) 0.0331(5) Uani 1 1 d . . . . .
Si3 Si 1.03052(13) 0.39662(11) 0.27986(10) 0.0313(5) Uani 1 1 d . . . . .
Si4 Si 0.99543(13) 0.26915(11) 0.43699(9) 0.0303(5) Uani 1 1 d . . . . .
Si5 Si 0.23637(13) 0.63541(11) 0.23050(9) 0.0300(5) Uani 1 1 d . . . . .
Si6 Si 0.46708(13) 0.76662(11) 0.43112(10) 0.0309(5) Uani 1 1 d . . . . .
Si7 Si 0.34078(13) 0.89496(11) 0.27576(9) 0.0299(5) Uani 1 1 d . . . . .
Si8 Si 0.47605(14) 0.68387(12) 0.13665(10) 0.0334(5) Uani 1 1 d . . . . .
O1 O 1.0399(3) 0.1846(3) 0.2584(2) 0.0346(13) Uani 1 1 d . . . . .
O2 O 0.8737(3) 0.2085(3) 0.2050(2) 0.0321(13) Uani 1 1 d . . . . .
O3 O 0.9915(3) 0.3290(3) 0.2820(2) 0.0323(13) Uani 1 1 d . . . . .
O4 O 0.9854(3) 0.2582(3) 0.3698(2) 0.0339(13) Uani 1 1 d . . . . .
O5 O 0.3183(3) 0.6800(3) 0.2537(2) 0.0323(13) Uani 1 1 d . . . . .
O6 O 0.4386(3) 0.7550(3) 0.3643(2) 0.0316(13) Uani 1 1 d . . . . .
O7 O 0.3790(3) 0.8256(3) 0.2766(2) 0.0335(13) Uani 1 1 d . . . . .
O8 O 0.4489(3) 0.7073(3) 0.1973(2) 0.0331(13) Uani 1 1 d . . . . .
N1 N 0.8320(4) 0.2948(3) 0.3097(3) 0.0326(16) Uani 1 1 d . . . . .
N2 N 0.4924(4) 0.6372(3) 0.2833(3) 0.0335(16) Uani 1 1 d . . . . .
N3 N 0.5536(4) 0.7934(3) 0.3042(3) 0.0324(16) Uani 1 1 d . . . . .
N4 N 0.8873(4) 1.1380(3) 0.2910(3) 0.0302(15) Uani 1 1 d . . . . .
C1 C 0.6699(5) 0.8152(4) 0.2791(4) 0.038(2) Uani 1 1 d . . . . .
H1 H 0.710132 0.798323 0.260080 0.046 Uiso 1 1 calc R U . . .
C2 C 1.0092(6) -0.0810(5) 0.1720(5) 0.052(3) Uani 1 1 d . . . . .
H2 H 0.988283 -0.125833 0.160189 0.063 Uiso 1 1 calc R U . . .
C4 C 1.0896(5) 0.0121(4) 0.2418(4) 0.035(2) Uani 1 1 d . . . . .
H4 H 1.122849 0.030544 0.278437 0.043 Uiso 1 1 calc R U . . .
C6 C 0.7666(5) 0.9746(4) 0.3032(4) 0.038(2) Uani 1 1 d . . . . .
C7 C 0.7243(5) 0.1408(4) 0.1495(4) 0.036(2) Uani 1 1 d . . . . .
C8 C 0.9118(5) 0.4823(4) 0.2688(4) 0.038(2) Uani 1 1 d . . . . .
H8 H 0.904333 0.457231 0.229259 0.046 Uiso 1 1 calc R U . . .
C9 C 0.8082(7) 0.4185(5) 0.4895(4) 0.053(3) Uani 1 1 d . . . . .
H9 H 0.769312 0.448658 0.497040 0.064 Uiso 1 1 calc R U . . .
C10 C 0.2574(5) 0.5451(4) 0.2040(4) 0.0317(19) Uani 1 1 d . . . . .
C11 C 1.1601(6) 0.2565(5) 0.1417(5) 0.050(3) Uani 1 1 d . . . . .
H11 H 1.153620 0.301325 0.142973 0.060 Uiso 1 1 calc R U . . .
C12 C 0.6992(6) 0.3144(4) 0.2810(4) 0.039(2) Uani 1 1 d . . . . .
H12 H 0.647944 0.296740 0.262426 0.047 Uiso 1 1 calc R U . . .
C14 C 0.7175(5) 0.3837(4) 0.3085(4) 0.0344(19) Uani 1 1 d . . . . .
C16 C 1.1372(5) 0.2896(4) 0.5214(4) 0.037(2) Uani 1 1 d . . . . .
H16 H 1.113709 0.259777 0.535191 0.044 Uiso 1 1 calc R U . . .
C17 C 0.4778(6) 0.7535(5) 0.0575(4) 0.052(3) Uani 1 1 d . . . . .
H17 H 0.459294 0.711936 0.028701 0.063 Uiso 1 1 calc R U . . .
C18 C 0.5552(5) 0.8579(4) 0.3348(3) 0.0309(18) Uani 1 1 d . . . . .
H18 H 0.515243 0.872463 0.354758 0.037 Uiso 1 1 calc R U . . .
C19 C 0.7135(6) 0.5934(6) 0.1643(5) 0.056(3) Uani 1 1 d . . . . .
H19 H 0.762376 0.576121 0.171557 0.067 Uiso 1 1 calc R U . . .
C20 C 0.2200(5) 0.8570(5) 0.3206(4) 0.037(2) Uani 1 1 d . . . . .
H20 H 0.231448 0.812873 0.301398 0.045 Uiso 1 1 calc R U . . .
C22 C 1.1381(5) 0.1669(4) 0.1778(4) 0.036(2) Uani 1 1 d . . . . .
C24 C 1.0006(5) 0.1292(4) 0.4094(4) 0.039(2) Uani 1 1 d . . . . .
H24 H 1.020337 0.132603 0.378192 0.047 Uiso 1 1 calc R U . . .
C26 C 0.6127(5) 0.9050(4) 0.3389(4) 0.0346(19) Uani 1 1 d . . . . .
H26 H 0.612554 0.950534 0.361584 0.041 Uiso 1 1 calc R U . . .
C27 C 0.0670(5) 0.6406(5) 0.0913(4) 0.043(2) Uani 1 1 d . . . . .
H27 H 0.025079 0.612157 0.064758 0.052 Uiso 1 1 calc R U . . .
C28 C 1.0311(5) 0.3870(4) 0.2035(4) 0.0326(19) Uani 1 1 d . . . . .
C29 C 0.5709(5) 0.6451(4) 0.1438(4) 0.036(2) Uani 1 1 d . . . . .
C30 C 1.1919(5) 0.1539(4) 0.2953(4) 0.0348(19) Uani 1 1 d . . . . .
C31 C 0.7470(7) 0.2566(5) 0.0699(4) 0.058(3) Uani 1 1 d . . . . .
H31 H 0.741667 0.214402 0.040482 0.069 Uiso 1 1 calc R U . . .
C32 C 0.3162(6) 0.8163(5) 0.5427(4) 0.044(2) Uani 1 1 d . . . . .
H32 H 0.306371 0.804147 0.573692 0.053 Uiso 1 1 calc R U . . .
C33 C 0.1113(5) 0.6207(4) 0.2817(4) 0.0343(19) Uani 1 1 d . . . . .
H33 H 0.085281 0.595540 0.243794 0.041 Uiso 1 1 calc R U . . .
C34 C 0.2731(5) 0.5165(4) 0.1499(4) 0.038(2) Uani 1 1 d . . . . .
H34 H 0.266307 0.540756 0.123917 0.045 Uiso 1 1 calc R U . . .
C35 C 0.3443(5) 0.8514(4) 0.4524(4) 0.040(2) Uani 1 1 d . . . . .
H35 H 0.353198 0.863788 0.421236 0.048 Uiso 1 1 calc R U . . .
C36 C 0.5501(5) 0.8945(4) 0.4760(4) 0.038(2) Uani 1 1 d . . . . .
H36 H 0.500846 0.911362 0.477579 0.046 Uiso 1 1 calc R U . . .
C37 C 1.1761(5) 0.3594(5) 0.3272(4) 0.042(2) Uani 1 1 d . . . . .
H37 H 1.151631 0.315598 0.312178 0.050 Uiso 1 1 calc R U . . .
C38 C 0.1894(5) 0.7232(4) 0.1685(4) 0.039(2) Uani 1 1 d . . . . .
H38 H 0.231779 0.751800 0.194266 0.047 Uiso 1 1 calc R U . . .
C40 C 0.4555(5) 0.9835(4) 0.2688(4) 0.037(2) Uani 1 1 d . . . . .
H40 H 0.439571 0.960976 0.228774 0.044 Uiso 1 1 calc R U . . .
C41 C 0.2905(5) 0.5308(6) -0.0047(4) 0.050(3) Uani 1 1 d . . . . .
H41 H 0.252590 0.499471 -0.033113 0.060 Uiso 1 1 calc R U . . .
C42 C 0.6111(5) 0.7729(4) 0.2777(3) 0.0330(19) Uani 1 1 d . . . . .
H42 H 0.611206 0.726783 0.256887 0.040 Uiso 1 1 calc R U . . .
C44 C 0.9814(5) 0.1877(4) 0.4485(4) 0.037(2) Uani 1 1 d . . . . .
C46 C 0.2409(5) 0.9280(5) 0.1857(4) 0.039(2) Uani 1 1 d . . . . .
H46 H 0.223865 0.961011 0.215481 0.047 Uiso 1 1 calc R U . . .
C48 C 0.2906(6) 0.4442(5) 0.2247(5) 0.047(2) Uani 1 1 d . . . . .
H48 H 0.294082 0.418539 0.249511 0.056 Uiso 1 1 calc R U . . .
C50 C 0.3252(5) 0.6320(5) 0.0743(4) 0.037(2) Uani 1 1 d . . . . .
H50 H 0.310417 0.671320 0.099851 0.045 Uiso 1 1 calc R U . . .
C52 C 1.0828(5) 0.4251(4) 0.1895(4) 0.0344(19) Uani 1 1 d . . . . .
H52 H 1.118950 0.456836 0.219171 0.041 Uiso 1 1 calc R U . . .
C53 C 0.5016(5) 1.0514(4) 0.3839(4) 0.038(2) Uani 1 1 d . . . . .
H53 H 0.516932 1.075351 0.423780 0.045 Uiso 1 1 calc R U . . .
C54 C 0.5745(5) 0.5279(4) 0.2922(4) 0.0348(19) Uani 1 1 d . . . . .
C55 C 0.1608(5) 0.8665(5) 0.3492(4) 0.043(2) Uani 1 1 d . . . . .
H55 H 0.133103 0.829210 0.350832 0.051 Uiso 1 1 calc R U . . .
C56 C 0.8625(6) 0.5326(4) 0.2870(4) 0.043(2) Uani 1 1 d . . . . .
H56 H 0.821977 0.541390 0.260062 0.052 Uiso 1 1 calc R U . . .
C58 C 0.6201(5) 0.4732(4) 0.2969(4) 0.037(2) Uani 1 1 d . . . . .
C59 C 0.2682(6) 0.5880(5) 0.0332(4) 0.047(2) Uani 1 1 d . . . . .
H59 H 0.215368 0.596408 0.030763 0.056 Uiso 1 1 calc R U . . .
C60 C 1.0732(5) 0.0513(4) 0.2063(4) 0.0342(19) Uani 1 1 d . . . . .
C61 C 1.1746(5) 0.1257(5) 0.1379(4) 0.039(2) Uani 1 1 d . . . . .
H61 H 1.179959 0.080742 0.136363 0.047 Uiso 1 1 calc R U . . .
C62 C 1.3196(6) 0.1668(5) 0.3853(4) 0.048(2) Uani 1 1 d . . . . .
H62 H 1.362597 0.171537 0.415908 0.058 Uiso 1 1 calc R U . . .
C63 C 1.1694(5) 0.4764(4) 0.3479(4) 0.035(2) Uani 1 1 d . . . . .
H63 H 1.140855 0.514077 0.347298 0.042 Uiso 1 1 calc R U . . .
C64 C 1.0296(5) 0.3725(4) 0.0893(4) 0.037(2) Uani 1 1 d . . . . .
H64 H 1.029691 0.367372 0.050567 0.044 Uiso 1 1 calc R U . . .
C65 C 0.6505(6) 0.1642(6) 0.1405(5) 0.054(3) Uani 1 1 d . . . . .
H65 H 0.644030 0.202603 0.129184 0.065 Uiso 1 1 calc R U . . .
C66 C 0.0737(5) 0.6292(4) 0.3261(4) 0.038(2) Uani 1 1 d . . . . .
H66 H 0.022540 0.610313 0.318618 0.045 Uiso 1 1 calc R U . . .
C67 C 0.6858(6) 0.9158(5) 0.4885(4) 0.047(2) Uani 1 1 d . . . . .
H67 H 0.729507 0.946484 0.498466 0.056 Uiso 1 1 calc R U . . .
C68 C 1.0218(5) 0.0224(4) 0.1541(4) 0.038(2) Uani 1 1 d . . . . .
H68 H 1.007645 0.048455 0.129960 0.046 Uiso 1 1 calc R U . . .
C69 C 0.2732(5) 0.8623(5) 0.5255(4) 0.044(2) Uani 1 1 d . . . . .
H69 H 0.234091 0.881994 0.544756 0.052 Uiso 1 1 calc R U . . .
C70 C 0.1748(5) 0.6608(4) 0.1728(3) 0.0304(18) Uani 1 1 d . . . . .
C71 C 0.9234(7) 0.0504(6) -0.0010(5) 0.056(3) Uani 1 1 d . . . . .
H71 H 0.945444 0.023461 -0.031149 0.068 Uiso 1 1 calc R U . . .
C72 C 0.8464(5) 0.3610(4) 0.3388(4) 0.0314(18) Uani 1 1 d . . . . .
H72 H 0.897118 0.376946 0.360198 0.038 Uiso 1 1 calc R U . . .
C73 C 0.2866(6) 0.8801(5) 0.4798(4) 0.047(2) Uani 1 1 d . . . . .
H73 H 0.256517 0.911720 0.467570 0.057 Uiso 1 1 calc R U . . .
C74 C 1.0820(5) 0.4172(4) 0.1328(4) 0.038(2) Uani 1 1 d . . . . .
H74 H 1.118175 0.443096 0.124011 0.046 Uiso 1 1 calc R U . . .
C75 C 0.4927(8) 0.8087(7) 0.0413(5) 0.072(4) Uani 1 1 d . . . . .
H75 H 0.485717 0.803840 0.001938 0.087 Uiso 1 1 calc R U . . .
C76 C 0.3748(5) 0.7866(4) 0.5152(4) 0.037(2) Uani 1 1 d . . . . .
H76 H 0.403955 0.754527 0.527532 0.044 Uiso 1 1 calc R U . . .
C77 C 0.5615(5) 0.6451(4) 0.3186(4) 0.036(2) Uani 1 1 d . . . . .
H77 H 0.582182 0.689098 0.341264 0.043 Uiso 1 1 calc R U . . .
C78 C 1.0580(6) -0.0536(5) 0.2244(5) 0.053(3) Uani 1 1 d . . . . .
H78 H 1.070447 -0.079251 0.249094 0.063 Uiso 1 1 calc R U . . .
C79 C 1.2064(6) 0.3794(5) 0.4854(4) 0.047(2) Uani 1 1 d . . . . .
H79 H 1.229262 0.411439 0.473460 0.057 Uiso 1 1 calc R U . . .
C80 C 0.1859(5) 0.6479(4) 0.2909(4) 0.0312(18) Uani 1 1 d . . . . .
C82 C 0.7789(5) 0.2611(4) 0.1257(4) 0.036(2) Uani 1 1 d . . . . .
C84 C 0.7596(5) 0.2734(4) 0.2825(4) 0.0331(19) Uani 1 1 d . . . . .
H84 H 0.748593 0.226894 0.262737 0.040 Uiso 1 1 calc R U . . .
C85 C 0.5297(6) 0.8760(5) 0.1401(5) 0.055(3) Uani 1 1 d . . . . .
H85 H 0.547334 0.918103 0.168519 0.066 Uiso 1 1 calc R U . . .
C86 C 0.9784(5) 0.3418(4) 0.1586(4) 0.039(2) Uani 1 1 d . . . . .
H86 H 0.942712 0.315158 0.167048 0.047 Uiso 1 1 calc R U . . .
C87 C 0.7092(6) 0.6509(6) 0.1510(5) 0.063(3) Uani 1 1 d . . . . .
H87 H 0.754043 0.673066 0.148414 0.075 Uiso 1 1 calc R U . . .
C88 C 0.5161(5) 0.8211(4) 0.1560(4) 0.040(2) Uani 1 1 d . . . . .
H88 H 0.524861 0.826045 0.195513 0.047 Uiso 1 1 calc R U . . .
C89 C 0.5530(7) 0.6175(6) 0.4964(6) 0.064(3) Uani 1 1 d . . . . .
H89 H 0.588583 0.614307 0.528845 0.076 Uiso 1 1 calc R U . . .
C90 C 0.7263(5) 0.9321(4) 0.3079(4) 0.037(2) Uani 1 1 d . . . . .
C92 C 0.4034(5) 0.6211(5) 0.0798(4) 0.036(2) Uani 1 1 d . . . . .
C93 C 0.8545(7) 0.0316(6) 0.0055(4) 0.061(3) Uani 1 1 d . . . . .
H93 H 0.828453 -0.009133 -0.020560 0.074 Uiso 1 1 calc R U . . .
C94 C 0.2682(5) 0.5080(4) 0.2414(4) 0.038(2) Uani 1 1 d . . . . .
H94 H 0.259688 0.527483 0.278997 0.046 Uiso 1 1 calc R U . . .
C96 C 0.1417(6) 0.9307(5) 0.3756(4) 0.045(2) Uani 1 1 d . . . . .
H96 H 0.099881 0.937120 0.394476 0.054 Uiso 1 1 calc R U . . .
C98 C 0.5019(5) 0.5188(4) 0.2556(4) 0.035(2) Uani 1 1 d . . . . .
H98 H 0.479034 0.475232 0.233606 0.042 Uiso 1 1 calc R U . . .
C100 C 0.6705(5) 0.8830(4) 0.3086(4) 0.036(2) Uani 1 1 d . . . . .
C102 C 0.1110(6) 0.6650(4) 0.3809(4) 0.044(2) Uani 1 1 d . . . . .
H102 H 0.086048 0.670094 0.411657 0.053 Uiso 1 1 calc R U . . .
C104 C 0.4424(5) 1.0012(4) 0.3637(4) 0.036(2) Uani 1 1 d . . . . .
H104 H 0.418005 0.990837 0.390189 0.044 Uiso 1 1 calc R U . . .
C105 C 0.6042(5) 0.5926(4) 0.3236(4) 0.037(2) Uani 1 1 d . . . . .
H105 H 0.653669 0.600605 0.348519 0.044 Uiso 1 1 calc R U . . .
C106 C 0.1846(6) 0.6939(5) 0.3917(4) 0.050(3) Uani 1 1 d . . . . .
H106 H 0.209856 0.719283 0.429703 0.060 Uiso 1 1 calc R U . . .
C107 C 1.2533(6) 0.3681(5) 0.3535(4) 0.045(2) Uani 1 1 d . . . . .
H107 H 1.281713 0.330649 0.355108 0.054 Uiso 1 1 calc R U . . .
C108 C 1.1324(5) 0.3510(4) 0.4582(4) 0.039(2) Uani 1 1 d . . . . .
H108 H 1.106054 0.363033 0.426634 0.047 Uiso 1 1 calc R U . . .
C109 C 0.9223(5) 0.3281(4) 0.4648(3) 0.0342(19) Uani 1 1 d . . . . .
C110 C 0.6616(5) 0.4304(5) 0.3020(4) 0.040(2) Uani 1 1 d . . . . .
C111 C 0.9618(6) 0.1104(6) 0.0375(5) 0.057(3) Uani 1 1 d . . . . .
H111 H 1.010512 0.124685 0.033745 0.069 Uiso 1 1 calc R U . . .
C112 C 0.4640(5) 0.5748(4) 0.2523(4) 0.038(2) Uani 1 1 d . . . . .
H112 H 0.415256 0.568521 0.226623 0.045 Uiso 1 1 calc R U . . .
C113 C 0.5377(5) 1.0663(5) 0.3459(4) 0.042(2) Uani 1 1 d . . . . .
H113 H 0.578737 1.100074 0.359710 0.051 Uiso 1 1 calc R U . . .
C114 C 0.4181(5) 0.9659(4) 0.3060(4) 0.0336(19) Uani 1 1 d . . . . .
C115 C 0.1134(5) 0.6199(4) 0.1333(4) 0.041(2) Uani 1 1 d . . . . .
H115 H 0.102639 0.576792 0.134871 0.049 Uiso 1 1 calc R U . . .
C116 C 0.6140(6) 0.9387(5) 0.4897(4) 0.050(3) Uani 1 1 d . . . . .
H116 H 0.608001 0.985255 0.499968 0.060 Uiso 1 1 calc R U . . .
C117 C 0.8995(5) 1.0756(4) 0.2615(4) 0.036(2) Uani 1 1 d . . . . .
H117 H 0.935254 1.068918 0.237354 0.043 Uiso 1 1 calc R U . . .
C118 C 0.9800(5) 0.5054(4) 0.3658(4) 0.037(2) Uani 1 1 d . . . . .
H118 H 1.019683 0.496460 0.393249 0.044 Uiso 1 1 calc R U . . .
C119 C 0.2637(5) 0.9110(4) 0.3191(4) 0.0327(19) Uani 1 1 d . . . . .
C120 C 0.0829(6) 0.7031(5) 0.0887(4) 0.050(3) Uani 1 1 d . . . . .
H120 H 0.052089 0.717570 0.060099 0.061 Uiso 1 1 calc R U . . .
C121 C 0.1830(6) 0.9854(5) 0.3747(4) 0.042(2) Uani 1 1 d . . . . .
H121 H 0.170328 1.029389 0.393240 0.050 Uiso 1 1 calc R U . . .
C122 C 0.2981(5) 0.8870(4) 0.2003(4) 0.0316(18) Uani 1 1 d . . . . .
C123 C 0.4598(7) 0.5648(5) 0.4094(5) 0.054(3) Uani 1 1 d . . . . .
H123 H 0.431798 0.525660 0.382005 0.065 Uiso 1 1 calc R U . . .
C124 C 0.5151(5) 1.0329(5) 0.2887(4) 0.043(2) Uani 1 1 d . . . . .
H124 H 0.540051 1.043526 0.262561 0.052 Uiso 1 1 calc R U . . .
C125 C 0.5173(7) 0.8692(6) 0.0822(6) 0.062(3) Uani 1 1 d . . . . .
H125 H 0.525964 0.906772 0.071160 0.075 Uiso 1 1 calc R U . . .
C126 C 0.8101(5) 1.0284(4) 0.2999(4) 0.036(2) Uani 1 1 d . . . . .
C127 C 0.4232(6) 0.5642(5) 0.0411(4) 0.045(2) Uani 1 1 d . . . . .
H127 H 0.475964 0.555428 0.043405 0.053 Uiso 1 1 calc R U . . .
C128 C 0.2339(6) 0.8755(5) 0.0852(4) 0.044(2) Uani 1 1 d . . . . .
H128 H 0.212312 0.871020 0.046469 0.052 Uiso 1 1 calc R U . . .
C129 C 0.8558(5) 0.1298(4) 0.0872(4) 0.0343(19) Uani 1 1 d . . . . .
C130 C 0.5782(6) 0.5864(5) 0.1575(4) 0.041(2) Uani 1 1 d . . . . .
H130 H 0.533389 0.564030 0.159981 0.050 Uiso 1 1 calc R U . . .
C131 C 0.9311(6) 0.5549(5) 0.3837(4) 0.044(2) Uani 1 1 d . . . . .
H131 H 0.937593 0.579182 0.423376 0.052 Uiso 1 1 calc R U . . .
C132 C 1.1894(5) 0.1891(5) 0.3524(4) 0.039(2) Uani 1 1 d . . . . .
H132 H 1.143260 0.208519 0.360756 0.047 Uiso 1 1 calc R U . . .
C133 C 0.9281(6) 0.1495(5) 0.0818(4) 0.044(2) Uani 1 1 d . . . . .
H133 H 0.954757 0.189779 0.108308 0.053 Uiso 1 1 calc R U . . .
C134 C 1.2894(6) 0.4330(5) 0.3777(4) 0.049(3) Uani 1 1 d . . . . .
H134 H 1.342497 0.439913 0.395995 0.059 Uiso 1 1 calc R U . . .
C135 C 0.5939(6) 0.0756(6) 0.1626(5) 0.057(3) Uani 1 1 d . . . . .
H135 H 0.549924 0.053716 0.166755 0.069 Uiso 1 1 calc R U . . .
C136 C 0.2918(5) 0.8353(5) 0.0990(4) 0.043(2) Uani 1 1 d . . . . .
H136 H 0.310378 0.803976 0.069020 0.052 Uiso 1 1 calc R U . . .
C137 C 0.5404(6) 0.6785(5) 0.4899(4) 0.045(2) Uani 1 1 d . . . . .
H137 H 0.568009 0.717397 0.518001 0.054 Uiso 1 1 calc R U . . .
C138 C 0.5567(5) 0.8259(4) 0.4599(3) 0.0300(18) Uani 1 1 d . . . . .
C139 C 0.3899(5) 0.8045(4) 0.4695(4) 0.0347(19) Uani 1 1 d . . . . .
C140 C 1.2523(6) 0.1961(5) 0.3968(4) 0.045(2) Uani 1 1 d . . . . .
H140 H 1.249617 0.220914 0.434979 0.054 Uiso 1 1 calc R U . . .
C141 C 1.2463(6) 0.3607(5) 0.5298(4) 0.052(3) Uani 1 1 d . . . . .
H141 H 1.297594 0.378719 0.548137 0.063 Uiso 1 1 calc R U . . .
C142 C 0.7920(5) 0.4054(4) 0.3388(3) 0.0323(19) Uani 1 1 d . . . . .
H142 H 0.804984 0.451469 0.359575 0.039 Uiso 1 1 calc R U . . .
C143 C 0.3673(6) 0.5198(5) -0.0009(4) 0.049(2) Uani 1 1 d . . . . .
H143 H 0.382166 0.481377 -0.027345 0.059 Uiso 1 1 calc R U . . .
C144 C 0.7295(5) 0.0830(4) 0.1647(4) 0.041(2) Uani 1 1 d . . . . .
H144 H 0.778321 0.065280 0.170525 0.049 Uiso 1 1 calc R U . . .
C145 C 1.2111(6) 0.3154(5) 0.5478(4) 0.050(3) Uani 1 1 d . . . . .
H145 H 1.238413 0.302237 0.578435 0.060 Uiso 1 1 calc R U . . .
C146 C 0.9712(5) 0.4684(4) 0.3074(3) 0.0319(19) Uani 1 1 d . . . . .
C147 C 0.2216(6) 0.6857(5) 0.3471(4) 0.041(2) Uani 1 1 d . . . . .
H147 H 0.271937 0.706176 0.354763 0.049 Uiso 1 1 calc R U . . .
C148 C 0.4881(6) 0.6849(4) 0.4429(4) 0.039(2) Uani 1 1 d . . . . .
C149 C 0.7563(6) 0.3794(5) 0.1539(4) 0.047(2) Uani 1 1 d . . . . .
H149 H 0.760057 0.421608 0.183091 0.056 Uiso 1 1 calc R U . . .
C150 C 1.2036(6) 0.1481(5) 0.1000(4) 0.043(2) Uani 1 1 d . . . . .
H150 H 1.226683 0.118224 0.071957 0.052 Uiso 1 1 calc R U . . .
C152 C 1.1989(6) 0.2150(5) 0.1030(4) 0.048(2) Uani 1 1 d . . . . .
H152 H 1.221851 0.231583 0.079035 0.058 Uiso 1 1 calc R U . . .
C153 C 0.7920(6) 0.3498(5) 0.4768(4) 0.046(2) Uani 1 1 d . . . . .
H153 H 0.742227 0.333733 0.476982 0.056 Uiso 1 1 calc R U . . .
C154 C 0.4895(5) 0.7584(5) 0.1148(4) 0.039(2) Uani 1 1 d . . . . .
C155 C 0.8204(6) 0.0693(5) 0.0486(4) 0.046(2) Uani 1 1 d . . . . .
H155 H 0.772100 0.053673 0.051911 0.055 Uiso 1 1 calc R U . . .
C156 C 1.2470(5) 0.4864(5) 0.3747(4) 0.045(2) Uani 1 1 d . . . . .
H156 H 1.271029 0.530413 0.390969 0.053 Uiso 1 1 calc R U . . .
C157 C 0.6945(6) 0.8484(5) 0.4728(4) 0.048(2) Uani 1 1 d . . . . .
H157 H 0.744110 0.832134 0.471921 0.058 Uiso 1 1 calc R U . . .
C158 C 0.9766(6) 0.3347(5) 0.1018(4) 0.049(2) Uani 1 1 d . . . . .
H158 H 0.939503 0.304300 0.071870 0.058 Uiso 1 1 calc R U . . .
C160 C 0.8478(5) 0.3055(5) 0.4640(4) 0.040(2) Uani 1 1 d . . . . .
H160 H 0.835594 0.259024 0.454614 0.048 Uiso 1 1 calc R U . . .
C162 C 0.2988(5) 0.4525(5) 0.1336(4) 0.045(2) Uani 1 1 d . . . . .
H162 H 0.309703 0.433226 0.096716 0.054 Uiso 1 1 calc R U . . .
C163 C 0.7253(7) 0.3733(6) 0.0992(5) 0.060(3) Uani 1 1 d . . . . .
H163 H 0.705157 0.410654 0.089863 0.072 Uiso 1 1 calc R U . . .
C164 C 1.2612(5) 0.1252(5) 0.2857(4) 0.040(2) Uani 1 1 d . . . . .
H164 H 1.264975 0.100903 0.247614 0.048 Uiso 1 1 calc R U . . .
C165 C 0.9530(6) 0.1798(6) 0.4932(5) 0.057(3) Uani 1 1 d . . . . .
H165 H 0.939690 0.218125 0.520738 0.068 Uiso 1 1 calc R U . . .
C166 C 0.1432(6) 0.7441(5) 0.1274(4) 0.054(3) Uani 1 1 d . . . . .
H166 H 0.153242 0.787341 0.125865 0.065 Uiso 1 1 calc R U . . .
C167 C 0.5869(6) 0.1327(6) 0.1477(5) 0.063(3) Uani 1 1 d . . . . .
H167 H 0.538039 0.150604 0.142388 0.075 Uiso 1 1 calc R U . . .
C168 C 0.6659(6) 0.0503(5) 0.1716(4) 0.050(3) Uani 1 1 d . . . . .
H168 H 0.671652 0.011354 0.182191 0.060 Uiso 1 1 calc R U . . .
C169 C 0.5135(7) 0.5606(6) 0.4555(6) 0.064(3) Uani 1 1 d . . . . .
H169 H 0.523580 0.518225 0.459251 0.077 Uiso 1 1 calc R U . . .
C170 C 1.1308(6) 0.2318(5) 0.1783(4) 0.044(2) Uani 1 1 d . . . . .
H170 H 1.104754 0.260731 0.204869 0.052 Uiso 1 1 calc R U . . .
C172 C 0.8619(5) 1.0200(4) 0.2649(4) 0.036(2) Uani 1 1 d . . . . .
H172 H 0.871998 0.976384 0.243094 0.044 Uiso 1 1 calc R U . . .
C173 C 0.9430(7) 0.1167(6) 0.4993(5) 0.061(3) Uani 1 1 d . . . . .
H173 H 0.923732 0.112449 0.530425 0.073 Uiso 1 1 calc R U . . .
C174 C 0.7830(6) 0.3237(5) 0.1679(4) 0.042(2) Uani 1 1 d . . . . .
H174 H 0.804371 0.328524 0.206698 0.051 Uiso 1 1 calc R U . . .
C176 C 0.6389(5) 0.6757(5) 0.1415(4) 0.042(2) Uani 1 1 d . . . . .
H176 H 0.636054 0.715962 0.132738 0.051 Uiso 1 1 calc R U . . .
C178 C 0.2090(6) 0.9221(5) 0.1299(4) 0.046(2) Uani 1 1 d . . . . .
H178 H 0.169646 0.950000 0.121791 0.055 Uiso 1 1 calc R U . . .
C180 C 1.1324(5) 0.4130(4) 0.3220(4) 0.0340(19) Uani 1 1 d . . . . .
C181 C 0.7227(7) 0.3118(6) 0.0560(4) 0.065(3) Uani 1 1 d . . . . .
H181 H 0.704072 0.308059 0.017111 0.078 Uiso 1 1 calc R U . . .
C182 C 0.9917(6) 0.0676(5) 0.4146(5) 0.055(3) Uani 1 1 d . . . . .
H182 H 1.006166 0.029282 0.387684 0.067 Uiso 1 1 calc R U . . .
C184 C 1.0950(5) 0.3055(4) 0.4750(3) 0.0325(19) Uani 1 1 d . . . . .
C186 C 0.8737(6) 0.5696(4) 0.3454(4) 0.042(2) Uani 1 1 d . . . . .
H186 H 0.841760 0.604700 0.358231 0.050 Uiso 1 1 calc R U . . .
C187 C 0.9621(7) 0.0613(6) 0.4587(6) 0.065(3) Uani 1 1 d . . . . .
H187 H 0.954512 0.018238 0.461401 0.077 Uiso 1 1 calc R U . . .
C188 C 0.9358(5) 0.3967(5) 0.4779(4) 0.042(2) Uani 1 1 d . . . . .
H188 H 0.985278 0.413507 0.477770 0.050 Uiso 1 1 calc R U . . .
C190 C 0.6302(5) 0.8045(5) 0.4583(4) 0.040(2) Uani 1 1 d . . . . .
H190 H 0.636608 0.757952 0.446882 0.047 Uiso 1 1 calc R U . . .
C192 C 0.3226(5) 0.8399(4) 0.1545(4) 0.0335(19) Uani 1 1 d . . . . .
H192 H 0.360792 0.810999 0.162221 0.040 Uiso 1 1 calc R U . . .
C194 C 0.4468(6) 0.6265(4) 0.4032(4) 0.047(2) Uani 1 1 d . . . . .
H194 H 0.409358 0.629404 0.371499 0.056 Uiso 1 1 calc R U . . .
C196 C 0.2435(5) 0.9748(5) 0.3462(4) 0.038(2) Uani 1 1 d . . . . .
H196 H 0.271707 1.012272 0.345126 0.045 Uiso 1 1 calc R U . . .
C198 C 0.9902(5) -0.0428(5) 0.1359(4) 0.047(2) Uani 1 1 d . . . . .
H198 H 0.956231 -0.061280 0.099476 0.056 Uiso 1 1 calc R U . . .
C200 C 0.7970(5) 1.0946(4) 0.3305(4) 0.0345(19) Uani 1 1 d . . . . .
H200 H 0.760481 1.103098 0.354162 0.041 Uiso 1 1 calc R U . . .
C202 C 0.8805(6) 0.4413(5) 0.4909(4) 0.044(2) Uani 1 1 d . . . . .
H202 H 0.892745 0.487810 0.500910 0.052 Uiso 1 1 calc R U . . .
C204 C 1.3248(6) 0.1314(5) 0.3306(4) 0.045(2) Uani 1 1 d . . . . .
H204 H 1.370829 0.111141 0.323105 0.054 Uiso 1 1 calc R U . . .
C206 C 0.6490(6) 0.5597(5) 0.1677(4) 0.050(3) Uani 1 1 d . . . . .
H206 H 0.653004 0.519556 0.176601 0.060 Uiso 1 1 calc R U . . .
C208 C 0.3084(6) 0.4173(5) 0.1711(5) 0.051(3) Uani 1 1 d . . . . .
H208 H 0.327254 0.374213 0.160335 0.062 Uiso 1 1 calc R U . . .
C210 C 0.8382(5) 1.1465(4) 0.3255(3) 0.0326(19) Uani 1 1 d . . . . .
H210 H 0.831184 1.190736 0.347912 0.039 Uiso 1 1 calc R U . . .
C3 C 0.8999(8) 0.7925(7) 0.0394(5) 0.072(3) Uani 1 1 d . . . . .
H3A H 0.952775 0.800123 0.062241 0.109 Uiso 1 1 calc R U . . .
H3B H 0.895029 0.816082 0.011528 0.109 Uiso 1 1 calc R U . . .
H3C H 0.887774 0.744594 0.019109 0.109 Uiso 1 1 calc R U . . .
C5 C 0.7986(7) 0.8252(6) 0.1633(5) 0.066(3) Uani 1 1 d . . . . .
H5 H 0.803653 0.814798 0.197550 0.079 Uiso 1 1 calc R U . . .
C21 C 0.8490(6) 0.8018(6) 0.1281(5) 0.058(3) Uani 1 1 d . . . . .
H21 H 0.887455 0.773877 0.137655 0.070 Uiso 1 1 calc R U . . .
C45 C 0.8446(7) 0.8184(5) 0.0783(4) 0.054(3) Uani 1 1 d . . . . .
C179 C 0.7878(7) 0.8597(6) 0.0662(5) 0.057(3) Uani 1 1 d . . . . .
H179 H 0.784041 0.872593 0.033229 0.069 Uiso 1 1 calc R U . . .
C183 C 0.7413(7) 0.8634(6) 0.1494(5) 0.066(3) Uani 1 1 d . . . . .
H183 H 0.704622 0.877011 0.172609 0.079 Uiso 1 1 calc R U . . .
C195 C 0.7365(7) 0.8823(7) 0.1017(5) 0.075(4) Uani 1 1 d . . . . .
H195 H 0.698172 0.910759 0.093101 0.090 Uiso 1 1 calc R U . . .
C13 C 0.9046(9) 0.8594(10) 0.3409(7) 0.095(5) Uani 1 1 d . . . . .
H13 H 0.900261 0.905766 0.358416 0.114 Uiso 1 1 calc R U . . .
C47 C 0.9128(8) 0.7240(7) 0.2826(7) 0.084(4) Uani 1 1 d . . . . .
H47 H 0.913279 0.677597 0.262781 0.100 Uiso 1 1 calc R U . . .
C51 C 0.8700(10) 0.7477(10) 0.3227(9) 0.109(6) Uani 1 1 d . . . . .
H51 H 0.840114 0.715624 0.330006 0.130 Uiso 1 1 calc R U . . .
C101 C 1.0099(11) 0.7536(8) 0.2329(6) 0.107(6) Uani 1 1 d . . . . .
H10A H 1.054869 0.735058 0.250321 0.160 Uiso 1 1 calc R U . . .
H10B H 1.026502 0.793611 0.225859 0.160 Uiso 1 1 calc R U . . .
H10C H 0.983878 0.720387 0.196560 0.160 Uiso 1 1 calc R U . . .
C103 C 0.8654(10) 0.8168(12) 0.3554(8) 0.115(6) Uani 1 1 d . . . . .
H103 H 0.836858 0.830552 0.384609 0.137 Uiso 1 1 calc R U . . .
C159 C 0.9557(7) 0.7717(9) 0.2723(6) 0.082(4) Uani 1 1 d . . . . .
C205 C 0.9494(8) 0.8412(7) 0.3036(7) 0.079(4) Uani 1 1 d . . . . .
H205 H 0.978233 0.874573 0.297159 0.095 Uiso 1 1 calc R U . . .
C15 C 0.9039(6) 0.5464(5) 0.0969(4) 0.045(2) Uani 1 1 d . . . . .
C57 C 0.8513(6) 0.6285(5) 0.0549(5) 0.050(2) Uani 1 1 d . . . . .
H57 H 0.830014 0.670348 0.059036 0.060 Uiso 1 1 calc R U . . .
C81 C 0.9239(7) 0.5236(6) 0.1471(5) 0.061(3) Uani 1 1 d . . . . .
H81A H 0.920395 0.560394 0.181814 0.092 Uiso 1 1 calc R U . . .
H81B H 0.976519 0.509365 0.150657 0.092 Uiso 1 1 calc R U . . .
H81C H 0.887955 0.486112 0.142111 0.092 Uiso 1 1 calc R U . . .
C151 C 0.8585(6) 0.5881(5) 0.0025(4) 0.047(2) Uani 1 1 d . . . . .
H151 H 0.840974 0.601501 -0.029959 0.056 Uiso 1 1 calc R U . . .
C171 C 0.8753(6) 0.6084(5) 0.1027(5) 0.051(3) Uani 1 1 d . . . . .
H171 H 0.872040 0.637538 0.139566 0.062 Uiso 1 1 calc R U . . .
C177 C 0.9119(6) 0.5063(5) 0.0421(4) 0.049(2) Uani 1 1 d . . . . .
H177 H 0.932217 0.463897 0.036864 0.059 Uiso 1 1 calc R U . . .
C185 C 0.8904(6) 0.5286(5) -0.0042(4) 0.052(3) Uani 1 1 d . . . . .
H185 H 0.897918 0.502169 -0.040731 0.063 Uiso 1 1 calc R U . . .
C23 C 0.4042(7) 0.3199(6) 0.0511(5) 0.064(3) Uani 1 1 d . . . . .
C25 C 0.5205(9) 0.3845(7) 0.1022(8) 0.090(5) Uani 1 1 d . . . . .
H25 H 0.557001 0.419930 0.107445 0.108 Uiso 1 1 calc R U . . .
C97 C 0.3350(9) 0.3031(8) 0.0046(6) 0.093(5) Uani 1 1 d . . . . .
H97A H 0.345686 0.268677 -0.029120 0.139 Uiso 1 1 calc R U . . .
H97B H 0.320252 0.343071 -0.005043 0.139 Uiso 1 1 calc R U . . .
H97C H 0.292742 0.286283 0.017074 0.139 Uiso 1 1 calc R U . . .
C99 C 0.4568(8) 0.3733(7) 0.0588(6) 0.076(4) Uani 1 1 d . . . . .
H99 H 0.448297 0.400252 0.035058 0.091 Uiso 1 1 calc R U . . .
C189 C 0.4175(8) 0.2851(6) 0.0869(7) 0.074(4) Uani 1 1 d . . . . .
H189 H 0.381490 0.249295 0.081512 0.089 Uiso 1 1 calc R U . . .
C193 C 0.4844(11) 0.2996(9) 0.1336(8) 0.097(5) Uani 1 1 d . . . . .
H193 H 0.491300 0.275272 0.159630 0.117 Uiso 1 1 calc R U . . .
C203 C 0.5357(10) 0.3479(10) 0.1390(8) 0.106(6) Uani 1 1 d . . . . .
H203 H 0.581996 0.357219 0.167637 0.127 Uiso 1 1 calc R U . . .
C39 C 0.3788(6) 1.0497(6) 0.1055(5) 0.060(3) Uani 1 1 d . . . . .
C43 C 0.3893(7) 0.9693(6) 0.0153(6) 0.072(4) Uani 1 1 d . . . . .
H43 H 0.390330 0.923910 -0.007288 0.087 Uiso 1 1 calc R U . . .
C83 C 0.3812(7) 0.9851(6) 0.0724(6) 0.063(3) Uani 1 1 d . . . . .
H83 H 0.377341 0.950390 0.087904 0.075 Uiso 1 1 calc R U . . .
C91 C 0.3958(7) 1.0179(7) -0.0078(5) 0.065(3) Uani 1 1 d . . . . .
H91 H 0.401414 1.006938 -0.046219 0.078 Uiso 1 1 calc R U . . .
C95 C 0.3939(7) 1.0843(7) 0.0259(5) 0.067(3) Uani 1 1 d . . . . .
H95 H 0.397721 1.118867 0.010201 0.080 Uiso 1 1 calc R U . . .
C161 C 0.3865(6) 1.1001(5) 0.0817(5) 0.051(3) Uani 1 1 d . . . . .
H161 H 0.386619 1.145627 0.104411 0.061 Uiso 1 1 calc R U . . .
C191 C 0.3724(7) 1.0674(7) 0.1652(5) 0.076(4) Uani 1 1 d . . . . .
H19A H 0.423284 1.082835 0.190445 0.114 Uiso 1 1 calc R U . . .
H19B H 0.352281 1.028174 0.171642 0.114 Uiso 1 1 calc R U . . .
H19C H 0.337229 1.103076 0.173644 0.114 Uiso 1 1 calc R U . . .
C49 C 0.4274(7) 0.2857(6) 0.2847(5) 0.065(3) Uani 1 1 d . . . . .
C175 C 0.3568(9) 0.2660(8) 0.2398(7) 0.097(5) Uani 1 1 d . . . . .
H17A H 0.366742 0.230325 0.206574 0.145 Uiso 1 1 calc R U . . .
H17B H 0.340064 0.304584 0.228474 0.145 Uiso 1 1 calc R U . . .
H17C H 0.316253 0.250032 0.254361 0.145 Uiso 1 1 calc R U . . .
C197 C 0.4684(9) 0.2386(7) 0.3020(6) 0.088(4) Uani 1 1 d . U . . .
H197 H 0.451961 0.192689 0.283543 0.106 Uiso 1 1 calc R U . . .
C199 C 0.4577(9) 0.3503(7) 0.3117(7) 0.084(4) Uani 1 1 d . . . . .
H199 H 0.433375 0.384205 0.299146 0.100 Uiso 1 1 calc R U . . .
C201 C 0.5565(11) 0.3229(9) 0.3739(7) 0.102(5) Uani 1 1 d . . . . .
H201 H 0.597976 0.336418 0.406496 0.122 Uiso 1 1 calc R U . . .
C207 C 0.5354(11) 0.2575(9) 0.3474(8) 0.114(6) Uani 1 1 d . U . . .
H207 H 0.564442 0.224681 0.358668 0.136 Uiso 1 1 calc R U . . .
C209 C 0.5207(10) 0.3683(8) 0.3555(7) 0.093(5) Uani 1 1 d . . . . .
H209 H 0.538941 0.413976 0.372907 0.112 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 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -4.4782 11.8047 '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
O1 Tb1 O2 99.0(2) . . ?
O1 Tb1 O3 98.6(2) . . ?
O1 Tb1 O4 98.2(2) . . ?
O1 Tb1 N1 173.7(2) . . ?
O1 Tb1 N4 90.2(2) . 1_545 ?
O2 Tb1 O4 154.1(2) . . ?
O2 Tb1 N1 78.2(2) . . ?
O2 Tb1 N4 81.0(2) . 1_545 ?
O3 Tb1 O2 99.5(2) . . ?
O3 Tb1 O4 96.8(2) . . ?
O3 Tb1 N1 87.4(2) . . ?
O3 Tb1 N4 171.0(2) . 1_545 ?
O4 Tb1 N1 82.7(2) . . ?
O4 Tb1 N4 79.8(2) . 1_545 ?
N4 Tb1 N1 83.9(2) 1_545 . ?
O5 Tb2 O6 97.6(2) . . ?
O5 Tb2 O7 99.9(2) . . ?
O5 Tb2 O8 99.0(2) . . ?
O5 Tb2 N2 90.5(2) . . ?
O5 Tb2 N3 173.2(2) . . ?
O6 Tb2 N2 80.1(2) . . ?
O6 Tb2 N3 81.6(2) . . ?
O7 Tb2 O6 96.9(2) . . ?
O7 Tb2 O8 98.4(2) . . ?
O7 Tb2 N2 169.5(2) . . ?
O7 Tb2 N3 86.9(2) . . ?
O8 Tb2 O6 155.1(2) . . ?
O8 Tb2 N2 81.3(2) . . ?
O8 Tb2 N3 79.8(2) . . ?
N2 Tb2 N3 82.7(2) . . ?
O1 Si1 C22 110.8(3) . . ?
O1 Si1 C30 108.6(4) . . ?
O1 Si1 C60 108.9(4) . . ?
C30 Si1 C22 108.9(4) . . ?
C30 Si1 C60 109.3(4) . . ?
C60 Si1 C22 110.4(4) . . ?
O2 Si2 C7 110.4(3) . . ?
O2 Si2 C82 109.7(3) . . ?
O2 Si2 C129 109.9(4) . . ?
C7 Si2 C82 107.1(4) . . ?
C129 Si2 C7 109.5(4) . . ?
C129 Si2 C82 110.1(4) . . ?
O3 Si3 C28 109.1(3) . . ?
O3 Si3 C146 109.4(3) . . ?
O3 Si3 C180 110.8(4) . . ?
C28 Si3 C146 107.9(4) . . ?
C180 Si3 C28 108.3(4) . . ?
C180 Si3 C146 111.3(4) . . ?
O4 Si4 C44 110.7(4) . . ?
O4 Si4 C109 108.0(3) . . ?
O4 Si4 C184 109.0(3) . . ?
C44 Si4 C109 110.7(4) . . ?
C184 Si4 C44 108.1(4) . . ?
C184 Si4 C109 110.4(4) . . ?
O5 Si5 C10 107.8(3) . . ?
O5 Si5 C70 109.8(3) . . ?
O5 Si5 C80 109.7(3) . . ?
C70 Si5 C10 111.8(4) . . ?
C70 Si5 C80 109.7(4) . . ?
C80 Si5 C10 108.1(4) . . ?
O6 Si6 C138 108.6(3) . . ?
O6 Si6 C139 109.5(4) . . ?
O6 Si6 C148 110.2(4) . . ?
C139 Si6 C138 109.2(4) . . ?
C139 Si6 C148 108.9(4) . . ?
C148 Si6 C138 110.4(4) . . ?
O7 Si7 C114 109.5(3) . . ?
O7 Si7 C119 109.6(3) . . ?
O7 Si7 C122 108.4(3) . . ?
C114 Si7 C119 110.5(4) . . ?
C122 Si7 C114 108.7(4) . . ?
C122 Si7 C119 110.2(4) . . ?
O8 Si8 C29 110.7(4) . . ?
O8 Si8 C92 110.8(4) . . ?
O8 Si8 C154 109.4(4) . . ?
C92 Si8 C29 108.3(4) . . ?
C154 Si8 C29 107.6(4) . . ?
C154 Si8 C92 110.0(4) . . ?
Si1 O1 Tb1 176.2(4) . . ?
Si2 O2 Tb1 179.2(4) . . ?
Si3 O3 Tb1 174.2(4) . . ?
Si4 O4 Tb1 169.4(4) . . ?
Si5 O5 Tb2 175.3(4) . . ?
Si6 O6 Tb2 170.9(4) . . ?
Si7 O7 Tb2 176.0(4) . . ?
Si8 O8 Tb2 177.3(4) . . ?
C72 N1 Tb1 112.6(5) . . ?
C84 N1 Tb1 125.6(6) . . ?
C84 N1 C72 117.1(7) . . ?
C77 N2 Tb2 121.0(6) . . ?
C112 N2 Tb2 121.5(6) . . ?
C112 N2 C77 117.4(7) . . ?
C18 N3 Tb2 112.3(5) . . ?
C18 N3 C42 118.1(7) . . ?
C42 N3 Tb2 125.9(5) . . ?
C117 N4 Tb1 122.7(5) . 1_565 ?
C210 N4 Tb1 119.4(5) . 1_565 ?
C210 N4 C117 117.9(7) . . ?
C42 C1 H1 120.2 . . ?
C42 C1 C100 119.6(8) . . ?
C100 C1 H1 120.2 . . ?
C78 C2 H2 120.1 . . ?
C78 C2 C198 119.8(9) . . ?
C198 C2 H2 120.1 . . ?
C60 C4 H4 119.3 . . ?
C78 C4 H4 119.3 . . ?
C78 C4 C60 121.5(9) . . ?
C90 C6 C126 175.4(10) . . ?
C65 C7 Si2 122.4(8) . . ?
C144 C7 Si2 121.5(7) . . ?
C144 C7 C65 116.1(9) . . ?
C56 C8 H8 119.3 . . ?
C146 C8 H8 119.3 . . ?
C146 C8 C56 121.4(8) . . ?
C153 C9 H9 120.4 . . ?
C202 C9 H9 120.4 . . ?
C202 C9 C153 119.3(9) . . ?
C34 C10 Si5 120.9(7) . . ?
C34 C10 C94 118.4(8) . . ?
C94 C10 Si5 120.1(6) . . ?
C152 C11 H11 120.4 . . ?
C170 C11 H11 120.4 . . ?
C170 C11 C152 119.2(9) . . ?
C14 C12 H12 121.6 . . ?
C84 C12 H12 121.6 . . ?
C84 C12 C14 116.9(8) . . ?
C12 C14 C110 120.7(8) . . ?
C142 C14 C12 118.4(8) . . ?
C142 C14 C110 120.8(8) . . ?
C145 C16 H16 118.7 . . ?
C145 C16 C184 122.6(9) . . ?
C184 C16 H16 118.7 . . ?
C75 C17 H17 119.2 . . ?
C154 C17 H17 119.2 . . ?
C154 C17 C75 121.5(11) . . ?
N3 C18 H18 118.4 . . ?
N3 C18 C26 123.3(8) . . ?
C26 C18 H18 118.4 . . ?
C87 C19 H19 118.9 . . ?
C87 C19 C206 122.1(10) . . ?
C206 C19 H19 118.9 . . ?
C55 C20 H20 119.3 . . ?
C55 C20 C119 121.5(9) . . ?
C119 C20 H20 119.3 . . ?
C61 C22 Si1 122.6(7) . . ?
C61 C22 C170 117.3(9) . . ?
C170 C22 Si1 119.8(7) . . ?
C44 C24 H24 118.8 . . ?
C182 C24 H24 118.8 . . ?
C182 C24 C44 122.4(10) . . ?
C18 C26 H26 121.1 . . ?
C18 C26 C100 117.7(8) . . ?
C100 C26 H26 121.1 . . ?
C115 C27 H27 120.4 . . ?
C120 C27 H27 120.4 . . ?
C120 C27 C115 119.3(9) . . ?
C52 C28 Si3 121.8(7) . . ?
C86 C28 Si3 120.6(6) . . ?
C86 C28 C52 117.7(8) . . ?
C130 C29 Si8 120.9(7) . . ?
C176 C29 Si8 122.7(7) . . ?
C176 C29 C130 116.1(8) . . ?
C132 C30 Si1 123.0(7) . . ?
C164 C30 Si1 120.2(7) . . ?
C164 C30 C132 116.7(8) . . ?
C82 C31 H31 119.3 . . ?
C181 C31 H31 119.3 . . ?
C181 C31 C82 121.4(10) . . ?
C69 C32 H32 119.4 . . ?
C69 C32 C76 121.3(9) . . ?
C76 C32 H32 119.4 . . ?
C66 C33 H33 119.0 . . ?
C66 C33 C80 122.0(8) . . ?
C80 C33 H33 119.0 . . ?
C10 C34 H34 119.8 . . ?
C10 C34 C162 120.4(9) . . ?
C162 C34 H34 119.8 . . ?
C73 C35 H35 119.2 . . ?
C73 C35 C139 121.6(9) . . ?
C139 C35 H35 119.2 . . ?
C116 C36 H36 119.4 . . ?
C116 C36 C138 121.2(9) . . ?
C138 C36 H36 119.4 . . ?
C107 C37 H37 118.7 . . ?
C107 C37 C180 122.5(9) . . ?
C180 C37 H37 118.7 . . ?
C70 C38 H38 119.5 . . ?
C166 C38 H38 119.5 . . ?
C166 C38 C70 121.0(8) . . ?
C114 C40 H40 119.1 . . ?
C124 C40 H40 119.1 . . ?
C124 C40 C114 121.9(8) . . ?
C59 C41 H41 120.0 . . ?
C143 C41 H41 120.0 . . ?
C143 C41 C59 120.0(9) . . ?
N3 C42 C1 123.0(8) . . ?
N3 C42 H42 118.5 . . ?
C1 C42 H42 118.5 . . ?
C24 C44 Si4 118.7(7) . . ?
C165 C44 Si4 125.0(8) . . ?
C165 C44 C24 116.3(9) . . ?
C122 C46 H46 118.8 . . ?
C178 C46 H46 118.8 . . ?
C178 C46 C122 122.5(8) . . ?
C94 C48 H48 120.3 . . ?
C94 C48 C208 119.3(9) . . ?
C208 C48 H48 120.3 . . ?
C59 C50 H50 118.6 . . ?
C59 C50 C92 122.8(9) . . ?
C92 C50 H50 118.6 . . ?
C28 C52 H52 119.6 . . ?
C74 C52 C28 120.7(8) . . ?
C74 C52 H52 119.6 . . ?
C104 C53 H53 120.3 . . ?
C113 C53 H53 120.3 . . ?
C113 C53 C104 119.5(9) . . ?
C98 C54 C58 122.8(8) . . ?
C105 C54 C58 119.2(8) . . ?
C105 C54 C98 118.1(8) . . ?
C20 C55 H55 120.1 . . ?
C20 C55 C96 119.8(9) . . ?
C96 C55 H55 120.1 . . ?
C8 C56 H56 120.4 . . ?
C186 C56 C8 119.3(9) . . ?
C186 C56 H56 120.4 . . ?
C110 C58 C54 176.1(10) . . ?
C41 C59 H59 120.9 . . ?
C50 C59 C41 118.2(9) . . ?
C50 C59 H59 120.9 . . ?
C4 C60 Si1 119.3(7) . . ?
C68 C60 Si1 123.5(6) . . ?
C68 C60 C4 116.6(8) . . ?
C22 C61 H61 119.1 . . ?
C22 C61 C150 121.9(9) . . ?
C150 C61 H61 119.1 . . ?
C140 C62 H62 119.5 . . ?
C204 C62 H62 119.5 . . ?
C204 C62 C140 121.0(9) . . ?
C156 C63 H63 119.1 . . ?
C180 C63 H63 119.1 . . ?
C180 C63 C156 121.8(9) . . ?
C74 C64 H64 120.0 . . ?
C74 C64 C158 119.9(8) . . ?
C158 C64 H64 120.0 . . ?
C7 C65 H65 119.0 . . ?
C167 C65 C7 121.9(11) . . ?
C167 C65 H65 119.0 . . ?
C33 C66 H66 120.3 . . ?
C102 C66 C33 119.3(8) . . ?
C102 C66 H66 120.3 . . ?
C116 C67 H67 120.1 . . ?
C116 C67 C157 119.7(9) . . ?
C157 C67 H67 120.1 . . ?
C60 C68 H68 118.6 . . ?
C198 C68 C60 122.9(9) . . ?
C198 C68 H68 118.6 . . ?
C32 C69 H69 120.0 . . ?
C32 C69 C73 120.0(9) . . ?
C73 C69 H69 120.0 . . ?
C38 C70 Si5 119.8(6) . . ?
C115 C70 Si5 122.6(7) . . ?
C115 C70 C38 117.6(8) . . ?
C93 C71 H71 120.7 . . ?
C93 C71 C111 118.7(10) . . ?
C111 C71 H71 120.7 . . ?
N1 C72 H72 118.4 . . ?
C142 C72 N1 123.1(8) . . ?
C142 C72 H72 118.4 . . ?
C35 C73 C69 119.5(9) . . ?
C35 C73 H73 120.2 . . ?
C69 C73 H73 120.2 . . ?
C52 C74 H74 119.6 . . ?
C64 C74 C52 120.7(8) . . ?
C64 C74 H74 119.6 . . ?
C17 C75 H75 120.0 . . ?
C125 C75 C17 119.9(11) . . ?
C125 C75 H75 120.0 . . ?
C32 C76 H76 120.2 . . ?
C139 C76 C32 119.6(9) . . ?
C139 C76 H76 120.2 . . ?
N2 C77 H77 118.4 . . ?
N2 C77 C105 123.2(8) . . ?
C105 C77 H77 118.4 . . ?
C2 C78 C4 120.3(9) . . ?
C2 C78 H78 119.9 . . ?
C4 C78 H78 119.9 . . ?
C108 C79 H79 120.4 . . ?
C141 C79 H79 120.4 . . ?
C141 C79 C108 119.2(9) . . ?
C33 C80 Si5 121.5(6) . . ?
C33 C80 C147 117.2(8) . . ?
C147 C80 Si5 121.3(7) . . ?
C31 C82 Si2 121.2(7) . . ?
C31 C82 C174 117.3(8) . . ?
C174 C82 Si2 121.4(7) . . ?
N1 C84 C12 124.4(8) . . ?
N1 C84 H84 117.8 . . ?
C12 C84 H84 117.8 . . ?
C88 C85 H85 120.1 . . ?
C88 C85 C125 119.7(10) . . ?
C125 C85 H85 120.1 . . ?
C28 C86 H86 119.2 . . ?
C158 C86 C28 121.6(9) . . ?
C158 C86 H86 119.2 . . ?
C19 C87 H87 120.8 . . ?
C176 C87 C19 118.3(10) . . ?
C176 C87 H87 120.8 . . ?
C85 C88 H88 119.4 . . ?
C85 C88 C154 121.3(10) . . ?
C154 C88 H88 119.4 . . ?
C137 C89 H89 120.2 . . ?
C137 C89 C169 119.6(11) . . ?
C169 C89 H89 120.2 . . ?
C6 C90 C100 173.0(10) . . ?
C50 C92 Si8 119.6(7) . . ?
C127 C92 Si8 123.1(7) . . ?
C127 C92 C50 117.3(8) . . ?
C71 C93 H93 118.7 . . ?
C71 C93 C155 122.5(11) . . ?
C155 C93 H93 118.7 . . ?
C10 C94 H94 119.4 . . ?
C48 C94 C10 121.2(9) . . ?
C48 C94 H94 119.4 . . ?
C55 C96 H96 119.7 . . ?
C121 C96 C55 120.5(9) . . ?
C121 C96 H96 119.7 . . ?
C54 C98 H98 120.8 . . ?
C112 C98 C54 118.4(8) . . ?
C112 C98 H98 120.8 . . ?
C1 C100 C26 118.1(8) . . ?
C1 C100 C90 123.4(8) . . ?
C26 C100 C90 118.4(8) . . ?
C66 C102 H102 119.8 . . ?
C66 C102 C106 120.5(9) . . ?
C106 C102 H102 119.8 . . ?
C53 C104 H104 119.1 . . ?
C114 C104 C53 121.8(8) . . ?
C114 C104 H104 119.1 . . ?
C54 C105 H105 120.3 . . ?
C77 C105 C54 119.5(8) . . ?
C77 C105 H105 120.3 . . ?
C102 C106 H106 120.1 . . ?
C102 C106 C147 119.9(9) . . ?
C147 C106 H106 120.1 . . ?
C37 C107 H107 120.4 . . ?
C37 C107 C134 119.2(9) . . ?
C134 C107 H107 120.4 . . ?
C79 C108 H108 118.5 . . ?
C79 C108 C184 122.9(9) . . ?
C184 C108 H108 118.5 . . ?
C160 C109 Si4 122.2(7) . . ?
C188 C109 Si4 120.4(7) . . ?
C188 C109 C160 116.6(8) . . ?
C58 C110 C14 174.3(10) . . ?
C71 C111 H111 120.1 . . ?
C71 C111 C133 119.7(10) . . ?
C133 C111 H111 120.1 . . ?
N2 C112 C98 123.4(8) . . ?
N2 C112 H112 118.3 . . ?
C98 C112 H112 118.3 . . ?
C53 C113 H113 119.7 . . ?
C124 C113 C53 120.6(9) . . ?
C124 C113 H113 119.7 . . ?
C40 C114 Si7 119.2(7) . . ?
C104 C114 Si7 124.0(7) . . ?
C104 C114 C40 116.7(8) . . ?
C27 C115 H115 119.3 . . ?
C70 C115 C27 121.5(8) . . ?
C70 C115 H115 119.3 . . ?
C36 C116 H116 119.7 . . ?
C67 C116 C36 120.6(10) . . ?
C67 C116 H116 119.7 . . ?
N4 C117 H117 118.7 . . ?
N4 C117 C172 122.6(8) . . ?
C172 C117 H117 118.7 . . ?
C131 C118 H118 119.8 . . ?
C131 C118 C146 120.5(9) . . ?
C146 C118 H118 119.8 . . ?
C20 C119 Si7 119.6(7) . . ?
C196 C119 Si7 122.6(7) . . ?
C196 C119 C20 117.5(8) . . ?
C27 C120 H120 120.0 . . ?
C166 C120 C27 120.0(9) . . ?
C166 C120 H120 120.0 . . ?
C96 C121 H121 120.6 . . ?
C96 C121 C196 118.9(9) . . ?
C196 C121 H121 120.6 . . ?
C46 C122 Si7 122.3(6) . . ?
C192 C122 Si7 121.3(6) . . ?
C192 C122 C46 116.5(8) . . ?
C169 C123 H123 120.2 . . ?
C169 C123 C194 119.5(11) . . ?
C194 C123 H123 120.2 . . ?
C40 C124 H124 120.2 . . ?
C113 C124 C40 119.6(9) . . ?
C113 C124 H124 120.2 . . ?
C75 C125 C85 120.2(10) . . ?
C75 C125 H125 119.9 . . ?
C85 C125 H125 119.9 . . ?
C172 C126 C6 123.1(8) . . ?
C172 C126 C200 117.2(8) . . ?
C200 C126 C6 119.5(8) . . ?
C92 C127 H127 119.5 . . ?
C92 C127 C143 120.9(9) . . ?
C143 C127 H127 119.5 . . ?
C136 C128 H128 121.0 . . ?
C178 C128 H128 121.0 . . ?
C178 C128 C136 118.0(8) . . ?
C133 C129 Si2 119.0(7) . . ?
C155 C129 Si2 123.6(7) . . ?
C155 C129 C133 117.5(9) . . ?
C29 C130 H130 119.0 . . ?
C206 C130 C29 122.0(9) . . ?
C206 C130 H130 119.0 . . ?
C118 C131 H131 119.3 . . ?
C186 C131 C118 121.3(9) . . ?
C186 C131 H131 119.3 . . ?
C30 C132 H132 119.2 . . ?
C140 C132 C30 121.6(9) . . ?
C140 C132 H132 119.2 . . ?
C111 C133 H133 119.6 . . ?
C129 C133 C111 120.8(10) . . ?
C129 C133 H133 119.6 . . ?
C107 C134 H134 120.4 . . ?
C156 C134 C107 119.3(9) . . ?
C156 C134 H134 120.4 . . ?
C167 C135 H135 120.2 . . ?
C167 C135 C168 119.5(10) . . ?
C168 C135 H135 120.2 . . ?
C128 C136 H136 119.0 . . ?
C192 C136 C128 121.9(8) . . ?
C192 C136 H136 119.0 . . ?
C89 C137 H137 119.2 . . ?
C89 C137 C148 121.6(10) . . ?
C148 C137 H137 119.2 . . ?
C36 C138 Si6 120.0(7) . . ?
C190 C138 Si6 122.8(7) . . ?
C190 C138 C36 116.6(8) . . ?
C35 C139 Si6 120.4(7) . . ?
C76 C139 Si6 121.7(7) . . ?
C76 C139 C35 118.0(8) . . ?
C62 C140 H140 120.1 . . ?
C132 C140 C62 119.8(9) . . ?
C132 C140 H140 120.1 . . ?
C79 C141 H141 120.2 . . ?
C79 C141 C145 119.5(9) . . ?
C145 C141 H141 120.2 . . ?
C14 C142 H142 120.1 . . ?
C72 C142 C14 119.9(8) . . ?
C72 C142 H142 120.1 . . ?
C41 C143 C127 120.8(10) . . ?
C41 C143 H143 119.6 . . ?
C127 C143 H143 119.6 . . ?
C7 C144 H144 118.6 . . ?
C168 C144 C7 122.8(9) . . ?
C168 C144 H144 118.6 . . ?
C16 C145 C141 120.1(9) . . ?
C16 C145 H145 119.9 . . ?
C141 C145 H145 119.9 . . ?
C8 C146 Si3 118.5(6) . . ?
C8 C146 C118 118.0(8) . . ?
C118 C146 Si3 123.3(7) . . ?
C80 C147 H147 119.5 . . ?
C106 C147 C80 121.1(9) . . ?
C106 C147 H147 119.5 . . ?
C137 C148 Si6 124.2(7) . . ?
C137 C148 C194 117.4(9) . . ?
C194 C148 Si6 118.4(7) . . ?
C163 C149 H149 120.0 . . ?
C163 C149 C174 120.1(10) . . ?
C174 C149 H149 120.0 . . ?
C61 C150 H150 120.0 . . ?
C61 C150 C152 119.9(9) . . ?
C152 C150 H150 120.0 . . ?
C11 C152 C150 118.9(9) . . ?
C11 C152 H152 120.5 . . ?
C150 C152 H152 120.5 . . ?
C9 C153 H153 119.7 . . ?
C160 C153 C9 120.6(9) . . ?
C160 C153 H153 119.7 . . ?
C17 C154 Si8 121.7(8) . . ?
C17 C154 C88 117.3(9) . . ?
C88 C154 Si8 120.9(7) . . ?
C93 C155 C129 120.8(10) . . ?
C93 C155 H155 119.6 . . ?
C129 C155 H155 119.6 . . ?
C63 C156 H156 119.7 . . ?
C134 C156 C63 120.5(9) . . ?
C134 C156 H156 119.7 . . ?
C67 C157 H157 120.3 . . ?
C67 C157 C190 119.3(10) . . ?
C190 C157 H157 120.3 . . ?
C64 C158 C86 119.3(9) . . ?
C64 C158 H158 120.3 . . ?
C86 C158 H158 120.3 . . ?
C109 C160 H160 119.6 . . ?
C153 C160 C109 120.8(9) . . ?
C153 C160 H160 119.6 . . ?
C34 C162 H162 120.1 . . ?
C208 C162 C34 119.7(9) . . ?
C208 C162 H162 120.1 . . ?
C149 C163 H163 120.1 . . ?
C149 C163 C181 119.8(10) . . ?
C181 C163 H163 120.1 . . ?
C30 C164 H164 119.0 . . ?
C204 C164 C30 122.0(9) . . ?
C204 C164 H164 119.0 . . ?
C44 C165 H165 118.8 . . ?
C44 C165 C173 122.3(11) . . ?
C173 C165 H165 118.8 . . ?
C38 C166 H166 119.7 . . ?
C120 C166 C38 120.6(10) . . ?
C120 C166 H166 119.7 . . ?
C65 C167 H167 119.7 . . ?
C135 C167 C65 120.6(10) . . ?
C135 C167 H167 119.7 . . ?
C135 C168 C144 119.1(10) . . ?
C135 C168 H168 120.4 . . ?
C144 C168 H168 120.4 . . ?
C89 C169 H169 119.6 . . ?
C123 C169 C89 120.7(10) . . ?
C123 C169 H169 119.6 . . ?
C11 C170 H170 118.7 . . ?
C22 C170 C11 122.6(9) . . ?
C22 C170 H170 118.7 . . ?
C117 C172 H172 120.1 . . ?
C126 C172 C117 119.8(8) . . ?
C126 C172 H172 120.1 . . ?
C165 C173 H173 120.9 . . ?
C187 C173 C165 118.2(11) . . ?
C187 C173 H173 120.9 . . ?
C82 C174 H174 119.4 . . ?
C149 C174 C82 121.2(9) . . ?
C149 C174 H174 119.4 . . ?
C29 C176 H176 118.2 . . ?
C87 C176 C29 123.6(9) . . ?
C87 C176 H176 118.2 . . ?
C46 C178 C128 120.3(9) . . ?
C46 C178 H178 119.9 . . ?
C128 C178 H178 119.9 . . ?
C37 C180 Si3 120.0(7) . . ?
C63 C180 Si3 123.3(7) . . ?
C63 C180 C37 116.6(8) . . ?
C31 C181 C163 120.1(9) . . ?
C31 C181 H181 120.0 . . ?
C163 C181 H181 120.0 . . ?
C24 C182 H182 120.0 . . ?
C24 C182 C187 119.9(11) . . ?
C187 C182 H182 120.0 . . ?
C16 C184 Si4 123.4(7) . . ?
C108 C184 Si4 121.0(7) . . ?
C108 C184 C16 115.6(8) . . ?
C56 C186 H186 120.3 . . ?
C131 C186 C56 119.4(9) . . ?
C131 C186 H186 120.3 . . ?
C173 C187 H187 119.6 . . ?
C182 C187 C173 120.9(10) . . ?
C182 C187 H187 119.6 . . ?
C109 C188 H188 118.6 . . ?
C202 C188 C109 122.9(9) . . ?
C202 C188 H188 118.6 . . ?
C138 C190 H190 118.8 . . ?
C157 C190 C138 122.5(9) . . ?
C157 C190 H190 118.8 . . ?
C122 C192 H192 119.6 . . ?
C136 C192 C122 120.8(8) . . ?
C136 C192 H192 119.6 . . ?
C123 C194 C148 121.1(10) . . ?
C123 C194 H194 119.5 . . ?
C148 C194 H194 119.5 . . ?
C119 C196 C121 121.7(9) . . ?
C119 C196 H196 119.1 . . ?
C121 C196 H196 119.1 . . ?
C2 C198 H198 120.6 . . ?
C68 C198 C2 118.9(9) . . ?
C68 C198 H198 120.6 . . ?
C126 C200 H200 120.6 . . ?
C210 C200 C126 118.8(8) . . ?
C210 C200 H200 120.6 . . ?
C9 C202 C188 119.9(9) . . ?
C9 C202 H202 120.1 . . ?
C188 C202 H202 120.1 . . ?
C62 C204 C164 119.0(9) . . ?
C62 C204 H204 120.5 . . ?
C164 C204 H204 120.5 . . ?
C19 C206 C130 117.9(10) . . ?
C19 C206 H206 121.0 . . ?
C130 C206 H206 121.0 . . ?
C48 C208 H208 119.6 . . ?
C162 C208 C48 120.7(9) . . ?
C162 C208 H208 119.6 . . ?
N4 C210 C200 123.5(8) . . ?
N4 C210 H210 118.2 . . ?
C200 C210 H210 118.2 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C45 C3 H3A 109.5 . . ?
C45 C3 H3B 109.5 . . ?
C45 C3 H3C 109.5 . . ?
C21 C5 H5 119.8 . . ?
C183 C5 H5 119.8 . . ?
C183 C5 C21 120.4(12) . . ?
C5 C21 H21 119.5 . . ?
C5 C21 C45 121.0(11) . . ?
C45 C21 H21 119.5 . . ?
C21 C45 C3 121.2(11) . . ?
C179 C45 C3 121.2(10) . . ?
C179 C45 C21 117.7(10) . . ?
C45 C179 H179 119.6 . . ?
C195 C179 C45 120.8(11) . . ?
C195 C179 H179 119.6 . . ?
C5 C183 H183 119.9 . . ?
C5 C183 C195 120.2(12) . . ?
C195 C183 H183 119.9 . . ?
C179 C195 H195 120.1 . . ?
C183 C195 C179 119.8(11) . . ?
C183 C195 H195 120.1 . . ?
C103 C13 H13 118.0 . . ?
C205 C13 H13 118.0 . . ?
C205 C13 C103 123.9(19) . . ?
C51 C47 H47 122.0 . . ?
C51 C47 C159 116.0(14) . . ?
C159 C47 H47 122.0 . . ?
C47 C51 H51 116.7 . . ?
C47 C51 C103 126.5(16) . . ?
C103 C51 H51 116.7 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C159 C101 H10A 109.5 . . ?
C159 C101 H10B 109.5 . . ?
C159 C101 H10C 109.5 . . ?
C13 C103 C51 113.9(18) . . ?
C13 C103 H103 123.1 . . ?
C51 C103 H103 123.1 . . ?
C47 C159 C101 122.5(15) . . ?
C47 C159 C205 117.7(13) . . ?
C205 C159 C101 119.7(15) . . ?
C13 C205 C159 121.8(15) . . ?
C13 C205 H205 119.1 . . ?
C159 C205 H205 119.1 . . ?
C171 C15 C81 120.2(9) . . ?
C171 C15 C177 117.9(9) . . ?
C177 C15 C81 121.9(10) . . ?
C151 C57 H57 120.0 . . ?
C151 C57 C171 119.9(10) . . ?
C171 C57 H57 120.0 . . ?
C15 C81 H81A 109.5 . . ?
C15 C81 H81B 109.5 . . ?
C15 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C57 C151 H151 119.5 . . ?
C57 C151 C185 120.9(10) . . ?
C185 C151 H151 119.5 . . ?
C15 C171 C57 120.6(10) . . ?
C15 C171 H171 119.7 . . ?
C57 C171 H171 119.7 . . ?
C15 C177 H177 119.9 . . ?
C185 C177 C15 120.2(10) . . ?
C185 C177 H177 119.9 . . ?
C151 C185 C177 120.3(10) . . ?
C151 C185 H185 119.8 . . ?
C177 C185 H185 119.8 . . ?
C99 C23 C97 120.7(14) . . ?
C189 C23 C97 120.2(13) . . ?
C189 C23 C99 119.1(13) . . ?
C99 C25 H25 117.8 . . ?
C99 C25 C203 124.5(15) . . ?
C203 C25 H25 117.8 . . ?
C23 C97 H97A 109.5 . . ?
C23 C97 H97B 109.5 . . ?
C23 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C23 C99 H99 121.5 . . ?
C25 C99 C23 116.9(14) . . ?
C25 C99 H99 121.5 . . ?
C23 C189 H189 118.6 . . ?
C23 C189 C193 122.7(14) . . ?
C193 C189 H189 118.6 . . ?
C189 C193 H193 121.1 . . ?
C203 C193 C189 117.8(15) . . ?
C203 C193 H193 121.1 . . ?
C25 C203 H203 120.6 . . ?
C193 C203 C25 118.8(16) . . ?
C193 C203 H203 120.6 . . ?
C83 C39 C161 118.3(11) . . ?
C83 C39 C191 121.5(12) . . ?
C161 C39 C191 120.1(11) . . ?
C83 C43 H43 119.5 . . ?
C91 C43 H43 119.5 . . ?
C91 C43 C83 121.1(12) . . ?
C39 C83 C43 120.5(11) . . ?
C39 C83 H83 119.7 . . ?
C43 C83 H83 119.7 . . ?
C43 C91 H91 120.6 . . ?
C43 C91 C95 118.8(12) . . ?
C95 C91 H91 120.6 . . ?
C91 C95 H95 119.8 . . ?
C161 C95 C91 120.5(12) . . ?
C161 C95 H95 119.8 . . ?
C39 C161 H161 119.6 . . ?
C95 C161 C39 120.8(11) . . ?
C95 C161 H161 119.6 . . ?
C39 C191 H19A 109.5 . . ?
C39 C191 H19B 109.5 . . ?
C39 C191 H19C 109.5 . . ?
H19A C191 H19B 109.5 . . ?
H19A C191 H19C 109.5 . . ?
H19B C191 H19C 109.5 . . ?
C197 C49 C175 120.7(13) . . ?
C199 C49 C175 124.0(13) . . ?
C199 C49 C197 115.3(13) . . ?
C49 C175 H17A 109.5 . . ?
C49 C175 H17B 109.5 . . ?
C49 C175 H17C 109.5 . . ?
H17A C175 H17B 109.5 . . ?
H17A C175 H17C 109.5 . . ?
H17B C175 H17C 109.5 . . ?
C49 C197 H197 119.5 . . ?
C49 C197 C207 121.1(14) . . ?
C207 C197 H197 119.5 . . ?
C49 C199 H199 118.2 . . ?
C209 C199 C49 123.5(15) . . ?
C209 C199 H199 118.2 . . ?
C207 C201 H201 119.4 . . ?
C209 C201 H201 119.4 . . ?
C209 C201 C207 121.2(17) . . ?
C197 C207 H207 120.8 . . ?
C201 C207 C197 118.4(16) . . ?
C201 C207 H207 120.8 . . ?
C199 C209 H209 119.9 . . ?
C201 C209 C199 120.2(16) . . ?
C201 C209 H209 119.9 . . ?
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
Tb1 O1 2.024(6) . ?
Tb1 O2 2.056(5) . ?
Tb1 O3 2.046(5) . ?
Tb1 O4 2.073(5) . ?
Tb1 N1 2.548(7) . ?
Tb1 N4 2.519(7) 1_545 ?
Tb2 O5 2.024(5) . ?
Tb2 O6 2.089(5) . ?
Tb2 O7 2.034(5) . ?
Tb2 O8 2.066(5) . ?
Tb2 N2 2.506(7) . ?
Tb2 N3 2.537(7) . ?
Si1 O1 1.621(6) . ?
Si1 C22 1.877(9) . ?
Si1 C30 1.852(9) . ?
Si1 C60 1.852(9) . ?
Si2 O2 1.621(6) . ?
Si2 C7 1.870(9) . ?
Si2 C82 1.877(9) . ?
Si2 C129 1.861(9) . ?
Si3 O3 1.617(5) . ?
Si3 C28 1.880(9) . ?
Si3 C146 1.880(9) . ?
Si3 C180 1.872(9) . ?
Si4 O4 1.611(6) . ?
Si4 C44 1.872(9) . ?
Si4 C109 1.888(9) . ?
Si4 C184 1.864(9) . ?
Si5 O5 1.628(6) . ?
Si5 C10 1.881(8) . ?
Si5 C70 1.866(8) . ?
Si5 C80 1.874(9) . ?
Si6 O6 1.599(6) . ?
Si6 C138 1.892(8) . ?
Si6 C139 1.876(9) . ?
Si6 C148 1.880(9) . ?
Si7 O7 1.627(6) . ?
Si7 C114 1.887(8) . ?
Si7 C119 1.891(9) . ?
Si7 C122 1.857(9) . ?
Si8 O8 1.626(6) . ?
Si8 C29 1.879(9) . ?
Si8 C92 1.871(9) . ?
Si8 C154 1.869(9) . ?
N1 C72 1.353(11) . ?
N1 C84 1.330(11) . ?
N2 C77 1.338(11) . ?
N2 C112 1.337(11) . ?
N3 C18 1.333(10) . ?
N3 C42 1.334(11) . ?
N4 C117 1.335(10) . ?
N4 C210 1.330(10) . ?
C1 H1 0.9500 . ?
C1 C42 1.365(11) . ?
C1 C100 1.389(12) . ?
C2 H2 0.9500 . ?
C2 C78 1.370(15) . ?
C2 C198 1.404(14) . ?
C4 H4 0.9500 . ?
C4 C60 1.403(12) . ?
C4 C78 1.397(13) . ?
C6 C90 1.202(12) . ?
C6 C126 1.415(12) . ?
C7 C65 1.404(13) . ?
C7 C144 1.399(12) . ?
C8 H8 0.9500 . ?
C8 C56 1.403(12) . ?
C8 C146 1.386(12) . ?
C9 H9 0.9500 . ?
C9 C153 1.403(14) . ?
C9 C202 1.362(15) . ?
C10 C34 1.392(12) . ?
C10 C94 1.402(12) . ?
C11 H11 0.9500 . ?
C11 C152 1.388(14) . ?
C11 C170 1.386(13) . ?
C12 H12 0.9500 . ?
C12 C14 1.414(12) . ?
C12 C84 1.385(12) . ?
C14 C110 1.430(12) . ?
C14 C142 1.381(12) . ?
C16 H16 0.9500 . ?
C16 C145 1.369(13) . ?
C16 C184 1.398(12) . ?
C17 H17 0.9500 . ?
C17 C75 1.403(14) . ?
C17 C154 1.391(13) . ?
C18 H18 0.9500 . ?
C18 C26 1.395(11) . ?
C19 H19 0.9500 . ?
C19 C87 1.368(15) . ?
C19 C206 1.383(15) . ?
C20 H20 0.9500 . ?
C20 C55 1.375(13) . ?
C20 C119 1.399(12) . ?
C22 C61 1.379(12) . ?
C22 C170 1.382(12) . ?
C24 H24 0.9500 . ?
C24 C44 1.406(12) . ?
C24 C182 1.371(13) . ?
C26 H26 0.9500 . ?
C26 C100 1.400(12) . ?
C27 H27 0.9500 . ?
C27 C115 1.397(13) . ?
C27 C120 1.381(13) . ?
C28 C52 1.394(11) . ?
C28 C86 1.394(12) . ?
C29 C130 1.401(12) . ?
C29 C176 1.392(13) . ?
C30 C132 1.405(12) . ?
C30 C164 1.405(12) . ?
C31 H31 0.9500 . ?
C31 C82 1.380(13) . ?
C31 C181 1.376(14) . ?
C32 H32 0.9500 . ?
C32 C69 1.368(13) . ?
C32 C76 1.406(13) . ?
C33 H33 0.9500 . ?
C33 C66 1.386(12) . ?
C33 C80 1.392(12) . ?
C34 H34 0.9500 . ?
C34 C162 1.393(13) . ?
C35 H35 0.9500 . ?
C35 C73 1.387(13) . ?
C35 C139 1.407(12) . ?
C36 H36 0.9500 . ?
C36 C116 1.385(13) . ?
C36 C138 1.391(12) . ?
C37 H37 0.9500 . ?
C37 C107 1.381(13) . ?
C37 C180 1.406(12) . ?
C38 H38 0.9500 . ?
C38 C70 1.394(12) . ?
C38 C166 1.381(13) . ?
C40 H40 0.9500 . ?
C40 C114 1.399(12) . ?
C40 C124 1.382(13) . ?
C41 H41 0.9500 . ?
C41 C59 1.396(14) . ?
C41 C143 1.375(14) . ?
C42 H42 0.9500 . ?
C44 C165 1.387(13) . ?
C46 H46 0.9500 . ?
C46 C122 1.411(12) . ?
C46 C178 1.374(12) . ?
C48 H48 0.9500 . ?
C48 C94 1.367(12) . ?
C48 C208 1.393(14) . ?
C50 H50 0.9500 . ?
C50 C59 1.385(13) . ?
C50 C92 1.396(12) . ?
C52 H52 0.9500 . ?
C52 C74 1.387(12) . ?
C53 H53 0.9500 . ?
C53 C104 1.389(12) . ?
C53 C113 1.374(13) . ?
C54 C58 1.442(12) . ?
C54 C98 1.398(12) . ?
C54 C105 1.383(12) . ?
C55 H55 0.9500 . ?
C55 C96 1.386(13) . ?
C56 H56 0.9500 . ?
C56 C186 1.401(13) . ?
C58 C110 1.192(12) . ?
C59 H59 0.9500 . ?
C60 C68 1.390(12) . ?
C61 H61 0.9500 . ?
C61 C150 1.383(12) . ?
C62 H62 0.9500 . ?
C62 C140 1.388(14) . ?
C62 C204 1.366(14) . ?
C63 H63 0.9500 . ?
C63 C156 1.391(13) . ?
C63 C180 1.387(12) . ?
C64 H64 0.9500 . ?
C64 C74 1.371(12) . ?
C64 C158 1.386(13) . ?
C65 H65 0.9500 . ?
C65 C167 1.388(15) . ?
C66 H66 0.9500 . ?
C66 C102 1.371(13) . ?
C67 H67 0.9500 . ?
C67 C116 1.369(14) . ?
C67 C157 1.374(14) . ?
C68 H68 0.9500 . ?
C68 C198 1.387(13) . ?
C69 H69 0.9500 . ?
C69 C73 1.392(14) . ?
C70 C115 1.391(12) . ?
C71 H71 0.9500 . ?
C71 C93 1.345(16) . ?
C71 C111 1.400(16) . ?
C72 H72 0.9500 . ?
C72 C142 1.353(11) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
C75 C125 1.364(17) . ?
C76 H76 0.9500 . ?
C76 C139 1.404(12) . ?
C77 H77 0.9500 . ?
C77 C105 1.375(12) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C79 C108 1.389(13) . ?
C79 C141 1.375(14) . ?
C80 C147 1.398(12) . ?
C82 C174 1.400(13) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C85 C88 1.389(13) . ?
C85 C125 1.396(16) . ?
C86 H86 0.9500 . ?
C86 C158 1.390(13) . ?
C87 H87 0.9500 . ?
C87 C176 1.363(14) . ?
C88 H88 0.9500 . ?
C88 C154 1.407(13) . ?
C89 H89 0.9500 . ?
C89 C137 1.374(14) . ?
C89 C169 1.381(17) . ?
C90 C100 1.445(12) . ?
C92 C127 1.385(13) . ?
C93 H93 0.9500 . ?
C93 C155 1.379(14) . ?
C94 H94 0.9500 . ?
C96 H96 0.9500 . ?
C96 C121 1.384(13) . ?
C98 H98 0.9500 . ?
C98 C112 1.386(12) . ?
C102 H102 0.9500 . ?
C102 C106 1.381(14) . ?
C104 H104 0.9500 . ?
C104 C114 1.381(12) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C106 C147 1.383(13) . ?
C107 H107 0.9500 . ?
C107 C134 1.406(14) . ?
C108 H108 0.9500 . ?
C108 C184 1.393(12) . ?
C109 C160 1.402(13) . ?
C109 C188 1.394(12) . ?
C111 H111 0.9500 . ?
C111 C133 1.404(14) . ?
C112 H112 0.9500 . ?
C113 H113 0.9500 . ?
C113 C124 1.362(13) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C117 C172 1.392(12) . ?
C118 H118 0.9500 . ?
C118 C131 1.385(13) . ?
C118 C146 1.406(11) . ?
C119 C196 1.391(12) . ?
C120 H120 0.9500 . ?
C120 C166 1.371(14) . ?
C121 H121 0.9500 . ?
C121 C196 1.395(13) . ?
C122 C192 1.408(12) . ?
C123 H123 0.9500 . ?
C123 C169 1.376(17) . ?
C123 C194 1.385(13) . ?
C124 H124 0.9500 . ?
C125 H125 0.9500 . ?
C126 C172 1.378(12) . ?
C126 C200 1.413(12) . ?
C127 H127 0.9500 . ?
C127 C143 1.386(13) . ?
C128 H128 0.9500 . ?
C128 C136 1.399(13) . ?
C128 C178 1.391(13) . ?
C129 C133 1.399(13) . ?
C129 C155 1.390(12) . ?
C130 H130 0.9500 . ?
C130 C206 1.392(13) . ?
C131 H131 0.9500 . ?
C131 C186 1.368(13) . ?
C132 H132 0.9500 . ?
C132 C140 1.383(13) . ?
C133 H133 0.9500 . ?
C134 H134 0.9500 . ?
C134 C156 1.378(14) . ?
C135 H135 0.9500 . ?
C135 C167 1.383(16) . ?
C135 C168 1.393(15) . ?
C136 H136 0.9500 . ?
C136 C192 1.371(12) . ?
C137 H137 0.9500 . ?
C137 C148 1.397(13) . ?
C138 C190 1.389(12) . ?
C140 H140 0.9500 . ?
C141 H141 0.9500 . ?
C141 C145 1.388(15) . ?
C142 H142 0.9500 . ?
C143 H143 0.9500 . ?
C144 H144 0.9500 . ?
C144 C168 1.398(13) . ?
C145 H145 0.9500 . ?
C147 H147 0.9500 . ?
C148 C194 1.404(13) . ?
C149 H149 0.9500 . ?
C149 C163 1.345(14) . ?
C149 C174 1.398(13) . ?
C150 H150 0.9500 . ?
C150 C152 1.400(13) . ?
C152 H152 0.9500 . ?
C153 H153 0.9500 . ?
C153 C160 1.384(13) . ?
C155 H155 0.9500 . ?
C156 H156 0.9500 . ?
C157 H157 0.9500 . ?
C157 C190 1.384(13) . ?
C158 H158 0.9500 . ?
C160 H160 0.9500 . ?
C162 H162 0.9500 . ?
C162 C208 1.371(14) . ?
C163 H163 0.9500 . ?
C163 C181 1.396(15) . ?
C164 H164 0.9500 . ?
C164 C204 1.401(13) . ?
C165 H165 0.9500 . ?
C165 C173 1.414(15) . ?
C166 H166 0.9500 . ?
C167 H167 0.9500 . ?
C168 H168 0.9500 . ?
C169 H169 0.9500 . ?
C170 H170 0.9500 . ?
C172 H172 0.9500 . ?
C173 H173 0.9500 . ?
C173 C187 1.383(17) . ?
C174 H174 0.9500 . ?
C176 H176 0.9500 . ?
C178 H178 0.9500 . ?
C181 H181 0.9500 . ?
C182 H182 0.9500 . ?
C182 C187 1.373(16) . ?
C186 H186 0.9500 . ?
C187 H187 0.9500 . ?
C188 H188 0.9500 . ?
C188 C202 1.380(13) . ?
C190 H190 0.9500 . ?
C192 H192 0.9500 . ?
C194 H194 0.9500 . ?
C196 H196 0.9500 . ?
C198 H198 0.9500 . ?
C200 H200 0.9500 . ?
C200 C210 1.378(12) . ?
C202 H202 0.9500 . ?
C204 H204 0.9500 . ?
C206 H206 0.9500 . ?
C208 H208 0.9500 . ?
C210 H210 0.9500 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C45 1.513(16) . ?
C5 H5 0.9500 . ?
C5 C21 1.372(16) . ?
C5 C183 1.364(16) . ?
C21 H21 0.9500 . ?
C21 C45 1.403(15) . ?
C45 C179 1.392(16) . ?
C179 H179 0.9500 . ?
C179 C195 1.386(16) . ?
C183 H183 0.9500 . ?
C183 C195 1.379(17) . ?
C195 H195 0.9500 . ?
C13 H13 0.9500 . ?
C13 C103 1.33(2) . ?
C13 C205 1.32(2) . ?
C47 H47 0.9500 . ?
C47 C51 1.36(2) . ?
C47 C159 1.390(19) . ?
C51 H51 0.9500 . ?
C51 C103 1.44(3) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C101 C159 1.49(2) . ?
C103 H103 0.9500 . ?
C159 C205 1.45(2) . ?
C205 H205 0.9500 . ?
C15 C81 1.480(13) . ?
C15 C171 1.385(14) . ?
C15 C177 1.408(14) . ?
C57 H57 0.9500 . ?
C57 C151 1.355(14) . ?
C57 C171 1.399(14) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C151 H151 0.9500 . ?
C151 C185 1.360(14) . ?
C171 H171 0.9500 . ?
C177 H177 0.9500 . ?
C177 C185 1.386(13) . ?
C185 H185 0.9500 . ?
C23 C97 1.469(18) . ?
C23 C99 1.406(17) . ?
C23 C189 1.331(18) . ?
C25 H25 0.9500 . ?
C25 C99 1.37(2) . ?
C25 C203 1.38(2) . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C99 H99 0.9500 . ?
C189 H189 0.9500 . ?
C189 C193 1.45(2) . ?
C193 H193 0.9500 . ?
C193 C203 1.33(2) . ?
C203 H203 0.9500 . ?
C39 C83 1.360(16) . ?
C39 C161 1.410(15) . ?
C39 C191 1.465(16) . ?
C43 H43 0.9500 . ?
C43 C83 1.411(17) . ?
C43 C91 1.359(17) . ?
C83 H83 0.9500 . ?
C91 H91 0.9500 . ?
C91 C95 1.395(17) . ?
C95 H95 0.9500 . ?
C95 C161 1.374(16) . ?
C161 H161 0.9500 . ?
C191 H19A 0.9800 . ?
C191 H19B 0.9800 . ?
C191 H19C 0.9800 . ?
C49 C175 1.465(18) . ?
C49 C197 1.372(17) . ?
C49 C199 1.370(18) . ?
C175 H17A 0.9800 . ?
C175 H17B 0.9800 . ?
C175 H17C 0.9800 . ?
C197 H197 0.9500 . ?
C197 C207 1.43(2) . ?
C199 H199 0.9500 . ?
C199 C209 1.36(2) . ?
C201 H201 0.9500 . ?
C201 C207 1.34(2) . ?
C201 C209 1.32(2) . ?
C207 H207 0.9500 . ?
C209 H209 0.9500 . ?
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
Tb1 N1 C72 C142 153.6(7) . . . . ?
Tb1 N1 C84 C12 -152.0(7) . . . . ?
Tb1 N4 C117 C172 -177.7(6) 1_565 . . . ?
Tb1 N4 C210 C200 176.1(6) 1_565 . . . ?
Tb2 N2 C77 C105 -179.3(7) . . . . ?
Tb2 N2 C112 C98 -178.9(7) . . . . ?
Tb2 N3 C18 C26 -157.4(7) . . . . ?
Tb2 N3 C42 C1 154.3(7) . . . . ?
Si1 C22 C61 C150 -173.1(7) . . . . ?
Si1 C22 C170 C11 172.3(8) . . . . ?
Si1 C30 C132 C140 177.8(7) . . . . ?
Si1 C30 C164 C204 -176.9(7) . . . . ?
Si1 C60 C68 C198 -173.3(7) . . . . ?
Si2 C7 C65 C167 -176.2(9) . . . . ?
Si2 C7 C144 C168 176.8(7) . . . . ?
Si2 C82 C174 C149 -178.0(7) . . . . ?
Si2 C129 C133 C111 -176.9(7) . . . . ?
Si2 C129 C155 C93 177.0(8) . . . . ?
Si3 C28 C52 C74 -179.8(7) . . . . ?
Si3 C28 C86 C158 178.7(7) . . . . ?
Si4 C44 C165 C173 179.4(8) . . . . ?
Si4 C109 C160 C153 -170.5(7) . . . . ?
Si4 C109 C188 C202 171.0(7) . . . . ?
Si5 C10 C34 C162 171.2(7) . . . . ?
Si5 C10 C94 C48 -173.8(7) . . . . ?
Si5 C70 C115 C27 178.5(7) . . . . ?
Si5 C80 C147 C106 -178.9(8) . . . . ?
Si6 C138 C190 C157 171.8(7) . . . . ?
Si6 C148 C194 C123 179.9(7) . . . . ?
Si7 C119 C196 C121 175.6(7) . . . . ?
Si7 C122 C192 C136 -178.7(7) . . . . ?
Si8 C29 C130 C206 -174.7(7) . . . . ?
Si8 C29 C176 C87 174.7(9) . . . . ?
Si8 C92 C127 C143 -178.8(8) . . . . ?
O1 Si1 C22 C61 -157.9(7) . . . . ?
O1 Si1 C22 C170 28.6(8) . . . . ?
O1 Si1 C30 C132 8.1(9) . . . . ?
O1 Si1 C30 C164 -175.3(7) . . . . ?
O1 Si1 C60 C4 -94.9(7) . . . . ?
O1 Si1 C60 C68 75.1(8) . . . . ?
O2 Si2 C7 C65 119.1(8) . . . . ?
O2 Si2 C7 C144 -58.5(8) . . . . ?
O2 Si2 C82 C31 158.7(8) . . . . ?
O2 Si2 C82 C174 -23.9(9) . . . . ?
O2 Si2 C129 C133 -49.0(8) . . . . ?
O2 Si2 C129 C155 131.8(7) . . . . ?
O3 Si3 C28 C52 -157.4(7) . . . . ?
O3 Si3 C28 C86 23.8(8) . . . . ?
O3 Si3 C146 C8 -89.4(7) . . . . ?
O3 Si3 C146 C118 85.4(8) . . . . ?
O3 Si3 C180 C37 29.7(8) . . . . ?
O3 Si3 C180 C63 -152.2(7) . . . . ?
O4 Si4 C44 C24 29.6(8) . . . . ?
O4 Si4 C44 C165 -150.2(8) . . . . ?
O4 Si4 C109 C160 89.3(7) . . . . ?
O4 Si4 C109 C188 -79.5(7) . . . . ?
O4 Si4 C184 C16 -144.2(7) . . . . ?
O4 Si4 C184 C108 35.5(8) . . . . ?
O5 Si5 C10 C34 -80.8(7) . . . . ?
O5 Si5 C10 C94 90.2(7) . . . . ?
O5 Si5 C70 C38 -20.8(8) . . . . ?
O5 Si5 C70 C115 159.7(7) . . . . ?
O5 Si5 C80 C33 173.6(7) . . . . ?
O5 Si5 C80 C147 -5.6(8) . . . . ?
O6 Si6 C138 C36 83.5(7) . . . . ?
O6 Si6 C138 C190 -86.8(7) . . . . ?
O6 Si6 C139 C35 -36.7(8) . . . . ?
O6 Si6 C139 C76 142.3(7) . . . . ?
O6 Si6 C148 C137 153.4(7) . . . . ?
O6 Si6 C148 C194 -29.1(8) . . . . ?
O7 Si7 C114 C40 92.3(7) . . . . ?
O7 Si7 C114 C104 -85.8(8) . . . . ?
O7 Si7 C119 C20 -33.1(7) . . . . ?
O7 Si7 C119 C196 152.6(7) . . . . ?
O7 Si7 C122 C46 159.6(7) . . . . ?
O7 Si7 C122 C192 -21.5(8) . . . . ?
O8 Si8 C29 C130 63.2(8) . . . . ?
O8 Si8 C29 C176 -110.4(8) . . . . ?
O8 Si8 C92 C50 45.1(8) . . . . ?
O8 Si8 C92 C127 -136.8(8) . . . . ?
O8 Si8 C154 C17 -150.1(8) . . . . ?
O8 Si8 C154 C88 33.5(8) . . . . ?
N1 C72 C142 C14 0.6(13) . . . . ?
N2 C77 C105 C54 -1.7(14) . . . . ?
N3 C18 C26 C100 0.9(13) . . . . ?
N4 C117 C172 C126 -0.4(14) . . . . ?
C4 C60 C68 C198 -3.0(13) . . . . ?
C6 C126 C172 C117 176.4(9) . . . . ?
C6 C126 C200 C210 -178.0(8) . . . . ?
C7 Si2 C82 C31 -81.4(9) . . . . ?
C7 Si2 C82 C174 96.0(8) . . . . ?
C7 Si2 C129 C133 -170.6(7) . . . . ?
C7 Si2 C129 C155 10.3(9) . . . . ?
C7 C65 C167 C135 -1.8(18) . . . . ?
C7 C144 C168 C135 0.5(15) . . . . ?
C8 C56 C186 C131 -1.8(14) . . . . ?
C9 C153 C160 C109 1.5(14) . . . . ?
C10 Si5 C70 C38 -140.3(7) . . . . ?
C10 Si5 C70 C115 40.2(8) . . . . ?
C10 Si5 C80 C33 -69.1(8) . . . . ?
C10 Si5 C80 C147 111.7(7) . . . . ?
C10 C34 C162 C208 0.3(14) . . . . ?
C12 C14 C142 C72 3.9(12) . . . . ?
C14 C12 C84 N1 2.7(13) . . . . ?
C17 C75 C125 C85 1.8(18) . . . . ?
C18 N3 C42 C1 -2.1(13) . . . . ?
C18 C26 C100 C1 -3.9(12) . . . . ?
C18 C26 C100 C90 174.1(8) . . . . ?
C19 C87 C176 C29 -0.9(17) . . . . ?
C20 C55 C96 C121 -1.7(14) . . . . ?
C20 C119 C196 C121 1.2(13) . . . . ?
C22 Si1 C30 C132 128.9(8) . . . . ?
C22 Si1 C30 C164 -54.6(8) . . . . ?
C22 Si1 C60 C4 143.3(7) . . . . ?
C22 Si1 C60 C68 -46.7(8) . . . . ?
C22 C61 C150 C152 2.4(15) . . . . ?
C24 C44 C165 C173 -0.5(15) . . . . ?
C24 C182 C187 C173 -2.0(17) . . . . ?
C27 C120 C166 C38 1.2(17) . . . . ?
C28 Si3 C146 C8 29.2(8) . . . . ?
C28 Si3 C146 C118 -156.0(7) . . . . ?
C28 Si3 C180 C37 -90.0(7) . . . . ?
C28 Si3 C180 C63 88.1(8) . . . . ?
C28 C52 C74 C64 1.0(13) . . . . ?
C28 C86 C158 C64 1.3(15) . . . . ?
C29 Si8 C92 C50 166.7(7) . . . . ?
C29 Si8 C92 C127 -15.2(9) . . . . ?
C29 Si8 C154 C17 89.6(9) . . . . ?
C29 Si8 C154 C88 -86.8(8) . . . . ?
C29 C130 C206 C19 0.6(15) . . . . ?
C30 Si1 C22 C61 82.7(8) . . . . ?
C30 Si1 C22 C170 -90.8(8) . . . . ?
C30 Si1 C60 C4 23.6(8) . . . . ?
C30 Si1 C60 C68 -166.3(7) . . . . ?
C30 C132 C140 C62 -1.3(15) . . . . ?
C30 C164 C204 C62 -0.6(15) . . . . ?
C31 C82 C174 C149 -0.4(15) . . . . ?
C32 C69 C73 C35 -0.6(14) . . . . ?
C32 C76 C139 Si6 -179.9(6) . . . . ?
C32 C76 C139 C35 -0.9(12) . . . . ?
C33 C66 C102 C106 1.6(14) . . . . ?
C33 C80 C147 C106 1.9(13) . . . . ?
C34 C10 C94 C48 -2.5(13) . . . . ?
C34 C162 C208 C48 1.8(15) . . . . ?
C36 C138 C190 C157 1.1(13) . . . . ?
C37 C107 C134 C156 -0.1(15) . . . . ?
C38 C70 C115 C27 -1.0(13) . . . . ?
C42 N3 C18 C26 2.1(12) . . . . ?
C42 C1 C100 C26 3.9(13) . . . . ?
C42 C1 C100 C90 -174.0(8) . . . . ?
C44 Si4 O4 Tb1 66(2) . . . . ?
C44 Si4 C109 C160 -31.9(8) . . . . ?
C44 Si4 C109 C188 159.2(7) . . . . ?
C44 Si4 C184 C16 -23.9(8) . . . . ?
C44 Si4 C184 C108 155.9(7) . . . . ?
C44 C24 C182 C187 1.1(15) . . . . ?
C44 C165 C173 C187 -0.4(17) . . . . ?
C46 C122 C192 C136 0.3(12) . . . . ?
C50 C92 C127 C143 -0.6(14) . . . . ?
C52 C28 C86 C158 -0.2(13) . . . . ?
C53 C104 C114 Si7 177.6(7) . . . . ?
C53 C104 C114 C40 -0.5(13) . . . . ?
C53 C113 C124 C40 -0.3(14) . . . . ?
C54 C98 C112 N2 -1.7(14) . . . . ?
C55 C20 C119 Si7 -176.6(7) . . . . ?
C55 C20 C119 C196 -2.1(13) . . . . ?
C55 C96 C121 C196 0.8(14) . . . . ?
C56 C8 C146 Si3 176.2(7) . . . . ?
C56 C8 C146 C118 1.2(13) . . . . ?
C58 C54 C98 C112 -177.3(8) . . . . ?
C58 C54 C105 C77 179.0(8) . . . . ?
C59 C41 C143 C127 1.5(16) . . . . ?
C59 C50 C92 Si8 179.7(7) . . . . ?
C59 C50 C92 C127 1.5(13) . . . . ?
C60 Si1 C22 C61 -37.2(9) . . . . ?
C60 Si1 C22 C170 149.3(7) . . . . ?
C60 Si1 C30 C132 -110.5(8) . . . . ?
C60 Si1 C30 C164 66.0(8) . . . . ?
C60 C4 C78 C2 -0.7(15) . . . . ?
C60 C68 C198 C2 1.7(15) . . . . ?
C61 C22 C170 C11 -1.5(14) . . . . ?
C61 C150 C152 C11 -4.5(15) . . . . ?
C65 C7 C144 C168 -0.9(14) . . . . ?
C66 C33 C80 Si5 179.5(7) . . . . ?
C66 C33 C80 C147 -1.3(13) . . . . ?
C66 C102 C106 C147 -1.0(15) . . . . ?
C67 C157 C190 C138 -1.1(15) . . . . ?
C69 C32 C76 C139 0.3(13) . . . . ?
C70 Si5 C10 C34 39.9(8) . . . . ?
C70 Si5 C10 C94 -149.1(7) . . . . ?
C70 Si5 C80 C33 53.0(8) . . . . ?
C70 Si5 C80 C147 -126.2(7) . . . . ?
C70 C38 C166 C120 -1.8(16) . . . . ?
C71 C93 C155 C129 1.0(17) . . . . ?
C71 C111 C133 C129 -1.2(15) . . . . ?
C72 N1 C84 C12 1.6(13) . . . . ?
C73 C35 C139 Si6 179.8(7) . . . . ?
C73 C35 C139 C76 0.8(13) . . . . ?
C74 C64 C158 C86 -1.3(14) . . . . ?
C75 C17 C154 Si8 -175.8(9) . . . . ?
C75 C17 C154 C88 0.7(15) . . . . ?
C76 C32 C69 C73 0.4(14) . . . . ?
C77 N2 C112 C98 0.9(13) . . . . ?
C78 C2 C198 C68 0.2(15) . . . . ?
C78 C4 C60 Si1 173.2(7) . . . . ?
C78 C4 C60 C68 2.5(13) . . . . ?
C79 C108 C184 Si4 179.8(7) . . . . ?
C79 C108 C184 C16 -0.4(13) . . . . ?
C79 C141 C145 C16 -0.1(15) . . . . ?
C80 Si5 C10 C34 160.7(7) . . . . ?
C80 Si5 C10 C94 -28.3(8) . . . . ?
C80 Si5 C70 C38 99.8(7) . . . . ?
C80 Si5 C70 C115 -79.7(8) . . . . ?
C80 C33 C66 C102 -0.4(13) . . . . ?
C82 Si2 C7 C65 -0.3(9) . . . . ?
C82 Si2 C7 C144 -178.0(7) . . . . ?
C82 Si2 C129 C133 71.9(8) . . . . ?
C82 Si2 C129 C155 -107.2(8) . . . . ?
C82 C31 C181 C163 -4(2) . . . . ?
C84 N1 C72 C142 -3.4(12) . . . . ?
C84 C12 C14 C110 170.6(8) . . . . ?
C84 C12 C14 C142 -5.4(12) . . . . ?
C85 C88 C154 Si8 176.9(7) . . . . ?
C85 C88 C154 C17 0.3(14) . . . . ?
C86 C28 C52 C74 -1.0(13) . . . . ?
C87 C19 C206 C130 -0.7(17) . . . . ?
C88 C85 C125 C75 -0.7(17) . . . . ?
C89 C137 C148 Si6 179.5(8) . . . . ?
C89 C137 C148 C194 1.9(14) . . . . ?
C92 Si8 C29 C130 -58.4(8) . . . . ?
C92 Si8 C29 C176 127.9(8) . . . . ?
C92 Si8 C154 C17 -28.1(9) . . . . ?
C92 Si8 C154 C88 155.4(7) . . . . ?
C92 C50 C59 C41 -0.9(14) . . . . ?
C92 C127 C143 C41 -0.9(16) . . . . ?
C93 C71 C111 C133 0.0(16) . . . . ?
C94 C10 C34 C162 0.1(13) . . . . ?
C94 C48 C208 C162 -4.2(15) . . . . ?
C96 C121 C196 C119 -0.6(13) . . . . ?
C98 C54 C105 C77 0.8(13) . . . . ?
C100 C1 C42 N3 -0.9(14) . . . . ?
C102 C106 C147 C80 -0.8(15) . . . . ?
C104 C53 C113 C124 1.1(14) . . . . ?
C105 C54 C98 C112 0.8(13) . . . . ?
C107 C37 C180 Si3 174.2(7) . . . . ?
C107 C37 C180 C63 -4.0(13) . . . . ?
C107 C134 C156 C63 -0.1(14) . . . . ?
C108 C79 C141 C145 -1.9(15) . . . . ?
C109 Si4 O4 Tb1 -56(2) . . . . ?
C109 Si4 C44 C24 149.3(7) . . . . ?
C109 Si4 C44 C165 -30.5(10) . . . . ?
C109 Si4 C184 C16 97.3(7) . . . . ?
C109 Si4 C184 C108 -82.9(7) . . . . ?
C109 C188 C202 C9 -2.2(15) . . . . ?
C110 C14 C142 C72 -172.1(8) . . . . ?
C111 C71 C93 C155 0.1(17) . . . . ?
C112 N2 C77 C105 0.8(13) . . . . ?
C113 C53 C104 C114 -0.6(13) . . . . ?
C114 Si7 C119 C20 -153.8(7) . . . . ?
C114 Si7 C119 C196 31.9(8) . . . . ?
C114 Si7 C122 C46 -81.5(8) . . . . ?
C114 Si7 C122 C192 97.4(7) . . . . ?
C114 C40 C124 C113 -0.9(14) . . . . ?
C115 C27 C120 C166 -0.5(16) . . . . ?
C116 C36 C138 Si6 -171.0(7) . . . . ?
C116 C36 C138 C190 -0.1(13) . . . . ?
C116 C67 C157 C190 0.1(15) . . . . ?
C117 N4 C210 C200 -3.0(12) . . . . ?
C118 C131 C186 C56 2.0(14) . . . . ?
C119 Si7 C114 C40 -146.8(7) . . . . ?
C119 Si7 C114 C104 35.0(9) . . . . ?
C119 Si7 C122 C46 39.7(8) . . . . ?
C119 Si7 C122 C192 -141.4(7) . . . . ?
C119 C20 C55 C96 2.3(14) . . . . ?
C120 C27 C115 C70 0.4(15) . . . . ?
C122 Si7 C114 C40 -25.9(8) . . . . ?
C122 Si7 C114 C104 156.0(7) . . . . ?
C122 Si7 C119 C20 86.1(7) . . . . ?
C122 Si7 C119 C196 -88.2(8) . . . . ?
C122 C46 C178 C128 -1.6(15) . . . . ?
C124 C40 C114 Si7 -176.9(7) . . . . ?
C124 C40 C114 C104 1.3(13) . . . . ?
C125 C85 C88 C154 -0.3(15) . . . . ?
C126 C200 C210 N4 3.5(13) . . . . ?
C128 C136 C192 C122 -1.7(14) . . . . ?
C129 Si2 C7 C65 -119.7(8) . . . . ?
C129 Si2 C7 C144 62.7(8) . . . . ?
C129 Si2 C82 C31 37.6(10) . . . . ?
C129 Si2 C82 C174 -145.0(8) . . . . ?
C130 C29 C176 C87 0.8(15) . . . . ?
C131 C118 C146 Si3 -175.8(7) . . . . ?
C131 C118 C146 C8 -1.0(13) . . . . ?
C132 C30 C164 C204 -0.2(14) . . . . ?
C133 C129 C155 C93 -2.2(14) . . . . ?
C136 C128 C178 C46 0.1(15) . . . . ?
C137 C89 C169 C123 -2.3(17) . . . . ?
C137 C148 C194 C123 -2.4(14) . . . . ?
C138 Si6 C139 C35 82.2(8) . . . . ?
C138 Si6 C139 C76 -98.9(7) . . . . ?
C138 Si6 C148 C137 33.4(9) . . . . ?
C138 Si6 C148 C194 -149.0(7) . . . . ?
C138 C36 C116 C67 -0.9(14) . . . . ?
C139 Si6 C138 C36 -35.9(8) . . . . ?
C139 Si6 C138 C190 153.8(7) . . . . ?
C139 Si6 C148 C137 -86.4(9) . . . . ?
C139 Si6 C148 C194 91.1(8) . . . . ?
C139 C35 C73 C69 0.0(14) . . . . ?
C140 C62 C204 C164 0.5(15) . . . . ?
C141 C79 C108 C184 2.2(14) . . . . ?
C143 C41 C59 C50 -0.6(15) . . . . ?
C144 C7 C65 C167 1.6(15) . . . . ?
C145 C16 C184 Si4 178.1(7) . . . . ?
C145 C16 C184 C108 -1.7(13) . . . . ?
C146 Si3 C28 C52 83.9(8) . . . . ?
C146 Si3 C28 C86 -94.9(7) . . . . ?
C146 Si3 C180 C37 151.6(7) . . . . ?
C146 Si3 C180 C63 -30.3(8) . . . . ?
C146 C8 C56 C186 0.2(14) . . . . ?
C146 C118 C131 C186 -0.6(14) . . . . ?
C148 Si6 C138 C36 -155.6(7) . . . . ?
C148 Si6 C138 C190 34.1(8) . . . . ?
C148 Si6 C139 C35 -157.2(7) . . . . ?
C148 Si6 C139 C76 21.7(8) . . . . ?
C149 C163 C181 C31 4(2) . . . . ?
C152 C11 C170 C22 -0.5(16) . . . . ?
C153 C9 C202 C188 2.4(15) . . . . ?
C154 Si8 C29 C130 -177.3(7) . . . . ?
C154 Si8 C29 C176 9.0(9) . . . . ?
C154 Si8 C92 C50 -76.0(8) . . . . ?
C154 Si8 C92 C127 102.2(8) . . . . ?
C154 C17 C75 C125 -1.8(18) . . . . ?
C155 C129 C133 C111 2.3(14) . . . . ?
C156 C63 C180 Si3 -174.4(7) . . . . ?
C156 C63 C180 C37 3.8(12) . . . . ?
C157 C67 C116 C36 0.9(15) . . . . ?
C158 C64 C74 C52 0.2(14) . . . . ?
C160 C109 C188 C202 1.6(13) . . . . ?
C163 C149 C174 C82 0.6(16) . . . . ?
C164 C30 C132 C140 1.1(14) . . . . ?
C165 C173 C187 C182 1.7(17) . . . . ?
C166 C38 C70 Si5 -177.9(8) . . . . ?
C166 C38 C70 C115 1.6(14) . . . . ?
C167 C135 C168 C144 -0.6(16) . . . . ?
C168 C135 C167 C65 1.3(18) . . . . ?
C169 C89 C137 C148 0.4(17) . . . . ?
C169 C123 C194 C148 0.6(15) . . . . ?
C170 C11 C152 C150 3.6(15) . . . . ?
C170 C22 C61 C150 0.6(14) . . . . ?
C172 C126 C200 C210 -2.3(13) . . . . ?
C174 C149 C163 C181 -2.6(18) . . . . ?
C176 C29 C130 C206 -0.6(13) . . . . ?
C178 C46 C122 Si7 -179.7(7) . . . . ?
C178 C46 C122 C192 1.3(13) . . . . ?
C178 C128 C136 C192 1.5(14) . . . . ?
C180 Si3 C28 C52 -36.7(8) . . . . ?
C180 Si3 C28 C86 144.5(7) . . . . ?
C180 Si3 C146 C8 147.9(7) . . . . ?
C180 Si3 C146 C118 -37.3(8) . . . . ?
C180 C37 C107 C134 2.3(14) . . . . ?
C180 C63 C156 C134 -1.9(14) . . . . ?
C181 C31 C82 Si2 179.8(10) . . . . ?
C181 C31 C82 C174 2.3(17) . . . . ?
C182 C24 C44 Si4 -179.7(7) . . . . ?
C182 C24 C44 C165 0.1(14) . . . . ?
C184 Si4 O4 Tb1 -175.5(19) . . . . ?
C184 Si4 C44 C24 -89.6(8) . . . . ?
C184 Si4 C44 C165 90.5(9) . . . . ?
C184 Si4 C109 C160 -151.6(7) . . . . ?
C184 Si4 C109 C188 39.6(8) . . . . ?
C184 C16 C145 C141 2.0(15) . . . . ?
C188 C109 C160 C153 -1.3(13) . . . . ?
C194 C123 C169 C89 1.8(16) . . . . ?
C198 C2 C78 C4 -0.7(16) . . . . ?
C200 C126 C172 C117 0.9(13) . . . . ?
C202 C9 C153 C160 -2.1(15) . . . . ?
C204 C62 C140 C132 0.4(16) . . . . ?
C206 C19 C87 C176 0.8(18) . . . . ?
C208 C48 C94 C10 4.6(14) . . . . ?
C210 N4 C117 C172 1.3(13) . . . . ?
C3 C45 C179 C195 179.0(11) . . . . ?
C5 C21 C45 C3 -179.9(11) . . . . ?
C5 C21 C45 C179 0.4(16) . . . . ?
C5 C183 C195 C179 3.2(19) . . . . ?
C21 C5 C183 C195 -4.1(19) . . . . ?
C21 C45 C179 C195 -1.3(17) . . . . ?
C45 C179 C195 C183 -0.4(19) . . . . ?
C183 C5 C21 C45 2.3(18) . . . . ?
C47 C51 C103 C13 4(3) . . . . ?
C47 C159 C205 C13 0(2) . . . . ?
C51 C47 C159 C101 175.4(14) . . . . ?
C51 C47 C159 C205 -2(2) . . . . ?
C101 C159 C205 C13 -177.0(14) . . . . ?
C103 C13 C205 C159 4(2) . . . . ?
C159 C47 C51 C103 0(3) . . . . ?
C205 C13 C103 C51 -5(2) . . . . ?
C15 C177 C185 C151 -2.6(15) . . . . ?
C57 C151 C185 C177 3.9(16) . . . . ?
C81 C15 C171 C57 -175.6(10) . . . . ?
C81 C15 C177 C185 178.0(10) . . . . ?
C151 C57 C171 C15 -2.4(16) . . . . ?
C171 C15 C177 C185 -1.2(15) . . . . ?
C171 C57 C151 C185 -1.5(15) . . . . ?
C177 C15 C171 C57 3.6(15) . . . . ?
C23 C189 C193 C203 -3(2) . . . . ?
C97 C23 C99 C25 -178.6(12) . . . . ?
C97 C23 C189 C193 -179.5(13) . . . . ?
C99 C23 C189 C193 -0.5(19) . . . . ?
C99 C25 C203 C193 -2(2) . . . . ?
C189 C23 C99 C25 2.4(18) . . . . ?
C189 C193 C203 C25 4(2) . . . . ?
C203 C25 C99 C23 -1(2) . . . . ?
C43 C91 C95 C161 0.7(18) . . . . ?
C83 C39 C161 C95 1.9(17) . . . . ?
C83 C43 C91 C95 -0.2(18) . . . . ?
C91 C43 C83 C39 0.7(19) . . . . ?
C91 C95 C161 C39 -1.6(17) . . . . ?
C161 C39 C83 C43 -1.5(17) . . . . ?
C191 C39 C83 C43 -178.5(11) . . . . ?
C191 C39 C161 C95 179.0(11) . . . . ?
C49 C197 C207 C201 2(3) . . . . ?
C49 C199 C209 C201 1(2) . . . . ?
C175 C49 C197 C207 -177.3(15) . . . . ?
C175 C49 C199 C209 176.1(14) . . . . ?
C197 C49 C199 C209 -5(2) . . . . ?
C199 C49 C197 C207 3(2) . . . . ?
C207 C201 C209 C199 5(3) . . . . ?
C209 C201 C207 C197 -6(3) . . . . ?
