#------------------------------------------------------------------------------
#$Date: 2024-10-24 15:59:54 +0300 (Thu, 24 Oct 2024) $
#$Revision: 295604 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/90/4089053.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_4089053
loop_
_publ_author_name
'Yoshimoto, Takashi'
'Hashimoto, Hisako'
'Hayakawa, Naoki'
'Matsuo, Tsukasa'
'Tobita, Hiromi'
_publ_section_title
;
 A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its
 Dimer--Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide
 and Diaryl Ketones
;
_journal_coden_ASTM              ORGND7
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              3444
_journal_page_last               3447
_journal_paper_doi               10.1021/acs.organomet.6b00670
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C53 H70 O3 Si W'
_chemical_formula_sum            'C53 H70 O3 Si W'
_chemical_formula_weight         967.03
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.1384(19)
_cell_angle_beta                 105.6093(17)
_cell_angle_gamma                100.000(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2995(5)
_cell_length_b                   13.3593(6)
_cell_length_c                   17.9891(9)
_cell_measurement_reflns_used    32276
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.11
_cell_volume                     2291.90(19)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1. 11'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita,Nemoto et al.,2009)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.,2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1325
_diffrn_reflns_av_sigmaI/netI    0.0961
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            37104
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    2.588
_exptl_absorpt_correction_T_max  0.8602
_exptl_absorpt_correction_T_min  0.6674
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.163
_refine_diff_density_min         -3.340
_refine_diff_density_rms         0.243
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         10504
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.172
_refine_ls_R_factor_all          0.0950
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0523P)²+27.3012P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1566
_refine_ls_wR_factor_ref         0.1667
_reflns_number_gt                8896
_reflns_number_total             10504
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4086764
_cod_data_source_file            om6b00670_si_002.cif
_cod_data_source_block           benzophenone_adduct_6
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4089053
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.67824(3) 0.31140(3) 0.66017(2) 0.01154(10) Uani 1 1 d . . .
Si1 Si 0.8217(2) 0.46684(17) 0.75009(13) 0.0132(4) Uani 1 1 d . . .
O1 O 0.8802(6) 0.4268(4) 0.8302(3) 0.0162(12) Uani 1 1 d . . .
C1 C 0.8088(9) 0.3130(7) 0.7953(5) 0.0194(17) Uani 1 1 d . . .
C2 C 0.8622(8) 0.6143(6) 0.7689(5) 0.0150(16) Uani 1 1 d . . .
C3 C 0.6007(9) 0.4267(7) 0.6293(5) 0.0205(18) Uani 1 1 d . . .
O2 O 0.5476(8) 0.4928(6) 0.6079(4) 0.0325(16) Uani 1 1 d . . .
C4 C 0.5198(9) 0.2997(7) 0.7012(5) 0.0206(18) Uani 1 1 d . . .
O3 O 0.4162(7) 0.2917(6) 0.7150(5) 0.0387(18) Uani 1 1 d . . .
C5 C 0.7999(8) 0.6736(6) 0.8148(5) 0.0137(15) Uani 1 1 d . . .
C6 C 0.8201(8) 0.7823(6) 0.8211(5) 0.0146(16) Uani 1 1 d . . .
C7 C 0.9139(9) 0.8343(6) 0.7899(5) 0.0175(17) Uani 1 1 d . . .
H1 H 0.9306 0.9079 0.7968 0.021 Uiso 1 1 calc R . .
C8 C 0.9836(8) 0.7779(6) 0.7484(5) 0.0144(16) Uani 1 1 d . . .
C9 C 0.9548(8) 0.6696(6) 0.7355(5) 0.0140(15) Uani 1 1 d . . .
C10 C 0.7137(9) 0.6428(6) 0.8699(5) 0.0158(16) Uani 1 1 d . . .
C11 C 0.6504(10) 0.7379(7) 0.8857(6) 0.0206(18) Uani 1 1 d . . .
H2 H 0.6539 0.7545 0.9419 0.025 Uiso 1 1 calc R . .
H3 H 0.5523 0.7221 0.8527 0.025 Uiso 1 1 calc R . .
C12 C 0.7348(9) 0.8323(6) 0.8651(5) 0.0173(17) Uani 1 1 d . . .
C13 C 1.0988(9) 0.8236(6) 0.7190(5) 0.0170(17) Uani 1 1 d . . .
C14 C 1.1300(8) 0.7269(6) 0.6746(5) 0.0159(16) Uani 1 1 d . . .
H4 H 1.2286 0.7258 0.6970 0.019 Uiso 1 1 calc R . .
H5 H 1.1123 0.7291 0.6181 0.019 Uiso 1 1 calc R . .
C15 C 1.0350(8) 0.6262(6) 0.6828(5) 0.0139(15) Uani 1 1 d . . .
C16 C 0.4815(10) 0.5237(8) 0.8678(6) 0.029(2) Uani 1 1 d . . .
H6 H 0.5195 0.5302 0.9249 0.043 Uiso 1 1 calc R . .
H7 H 0.4228 0.4538 0.8437 0.043 Uiso 1 1 calc R . .
H8 H 0.4263 0.5757 0.8578 0.043 Uiso 1 1 calc R . .
C17 C 0.6008(8) 0.5416(6) 0.8317(5) 0.0172(16) Uani 1 1 d . . .
H9 H 0.5607 0.5411 0.7750 0.021 Uiso 1 1 calc R . .
H10 H 0.6458 0.4820 0.8346 0.021 Uiso 1 1 calc R . .
C18 C 0.8231(9) 0.6330(7) 0.9456(5) 0.0206(18) Uani 1 1 d . . .
H11 H 0.8710 0.5788 0.9299 0.025 Uiso 1 1 calc R . .
H12 H 0.8931 0.6997 0.9660 0.025 Uiso 1 1 calc R . .
C19 C 0.7714(11) 0.6063(8) 1.0135(5) 0.027(2) Uani 1 1 d . . .
H13 H 0.7209 0.6576 1.0290 0.040 Uiso 1 1 calc R . .
H14 H 0.8505 0.6073 1.0587 0.040 Uiso 1 1 calc R . .
H15 H 0.7097 0.5367 0.9965 0.040 Uiso 1 1 calc R . .
C20 C 0.7553(11) 0.9745(7) 0.9866(6) 0.027(2) Uani 1 1 d . . .
H16 H 0.7015 1.0129 0.9526 0.040 Uiso 1 1 calc R . .
H17 H 0.8227 1.0237 1.0327 0.040 Uiso 1 1 calc R . .
H18 H 0.6928 0.9262 1.0042 0.040 Uiso 1 1 calc R . .
C21 C 0.8306(11) 0.9139(8) 0.9407(6) 0.028(2) Uani 1 1 d . . .
H19 H 0.8866 0.8772 0.9762 0.033 Uiso 1 1 calc R . .
H20 H 0.8954 0.9638 0.9248 0.033 Uiso 1 1 calc R . .
C22 C 0.6400(9) 0.8863(7) 0.8117(5) 0.0206(18) Uani 1 1 d . . .
H21 H 0.6971 0.9506 0.8060 0.025 Uiso 1 1 calc R . .
H22 H 0.5729 0.9069 0.8380 0.025 Uiso 1 1 calc R . .
C23 C 0.5597(10) 0.8194(8) 0.7289(7) 0.033(2) Uani 1 1 d . . .
H23 H 0.6227 0.8147 0.6970 0.049 Uiso 1 1 calc R . .
H24 H 0.4856 0.8513 0.7036 0.049 Uiso 1 1 calc R . .
H25 H 0.5194 0.7494 0.7334 0.049 Uiso 1 1 calc R . .
C24 C 1.1601(12) 0.9539(8) 0.6333(6) 0.033(2) Uani 1 1 d . . .
H26 H 1.2327 1.0024 0.6777 0.050 Uiso 1 1 calc R . .
H27 H 1.1177 0.9927 0.5952 0.050 Uiso 1 1 calc R . .
H28 H 1.2007 0.9028 0.6075 0.050 Uiso 1 1 calc R . .
C25 C 1.0495(10) 0.8976(7) 0.6641(6) 0.0240(19) Uani 1 1 d . . .
H29 H 0.9711 0.8564 0.6182 0.029 Uiso 1 1 calc R . .
H30 H 1.0145 0.9505 0.6934 0.029 Uiso 1 1 calc R . .
C26 C 1.2267(9) 0.8868(7) 0.7897(6) 0.0226(18) Uani 1 1 d . . .
H31 H 1.3038 0.9101 0.7689 0.027 Uiso 1 1 calc R . .
H32 H 1.2027 0.9499 0.8144 0.027 Uiso 1 1 calc R . .
C27 C 1.2762(10) 0.8280(9) 0.8526(6) 0.032(2) Uani 1 1 d . . .
H33 H 1.2020 0.8069 0.8753 0.048 Uiso 1 1 calc R . .
H34 H 1.3570 0.8728 0.8942 0.048 Uiso 1 1 calc R . .
H35 H 1.3020 0.7660 0.8291 0.048 Uiso 1 1 calc R . .
C28 C 1.2159(10) 0.5130(8) 0.6784(6) 0.027(2) Uani 1 1 d . . .
H36 H 1.1595 0.4733 0.6255 0.040 Uiso 1 1 calc R . .
H37 H 1.2641 0.4674 0.7076 0.040 Uiso 1 1 calc R . .
H38 H 1.2840 0.5709 0.6738 0.040 Uiso 1 1 calc R . .
C29 C 1.1225(9) 0.5558(7) 0.7226(6) 0.0205(18) Uani 1 1 d . . .
H39 H 1.1814 0.5958 0.7757 0.025 Uiso 1 1 calc R . .
H40 H 1.0591 0.4962 0.7300 0.025 Uiso 1 1 calc R . .
C30 C 0.9354(9) 0.5643(7) 0.6014(5) 0.0195(17) Uani 1 1 d . . .
H41 H 0.9911 0.5447 0.5667 0.023 Uiso 1 1 calc R . .
H42 H 0.8828 0.4991 0.6087 0.023 Uiso 1 1 calc R . .
C31 C 0.8324(10) 0.6227(8) 0.5595(6) 0.027(2) Uani 1 1 d . . .
H43 H 0.7813 0.6471 0.5948 0.040 Uiso 1 1 calc R . .
H44 H 0.7673 0.5759 0.5114 0.040 Uiso 1 1 calc R . .
H45 H 0.8827 0.6825 0.5456 0.040 Uiso 1 1 calc R . .
C32 C 0.9271(8) 0.2571(6) 0.8017(5) 0.0173(17) Uani 1 1 d . . .
C33 C 1.0344(9) 0.2926(7) 0.7718(5) 0.0212(18) Uani 1 1 d . . .
H46 H 1.0289 0.3483 0.7450 0.025 Uiso 1 1 calc R . .
C34 C 1.1476(10) 0.2489(8) 0.7800(6) 0.029(2) Uani 1 1 d . . .
H47 H 1.2180 0.2732 0.7579 0.035 Uiso 1 1 calc R . .
C35 C 1.1589(9) 0.1682(7) 0.8211(6) 0.0229(19) Uani 1 1 d . . .
H48 H 1.2379 0.1388 0.8282 0.028 Uiso 1 1 calc R . .
C36 C 1.0544(9) 0.1323(7) 0.8508(6) 0.0221(18) Uani 1 1 d . . .
H49 H 1.0602 0.0768 0.8778 0.027 Uiso 1 1 calc R . .
C37 C 0.9378(9) 0.1777(7) 0.8415(5) 0.0181(17) Uani 1 1 d . . .
H50 H 0.8667 0.1530 0.8629 0.022 Uiso 1 1 calc R . .
C38 C 0.7225(9) 0.2788(7) 0.8462(5) 0.0189(17) Uani 1 1 d . . .
C39 C 0.7437(10) 0.3362(7) 0.9219(6) 0.026(2) Uani 1 1 d . . .
H51 H 0.8113 0.4001 0.9413 0.031 Uiso 1 1 calc R . .
C40 C 0.6673(13) 0.3010(9) 0.9693(7) 0.039(3) Uani 1 1 d . . .
H52 H 0.6846 0.3403 1.0212 0.047 Uiso 1 1 calc R . .
C41 C 0.5667(11) 0.2098(8) 0.9419(6) 0.031(2) Uani 1 1 d . . .
H53 H 0.5118 0.1884 0.9738 0.038 Uiso 1 1 calc R . .
C42 C 0.5458(10) 0.1500(8) 0.8688(7) 0.030(2) Uani 1 1 d . . .
H54 H 0.4786 0.0859 0.8501 0.036 Uiso 1 1 calc R . .
C43 C 0.6251(9) 0.1849(8) 0.8220(6) 0.0242(19) Uani 1 1 d . . .
H55 H 0.6117 0.1426 0.7716 0.029 Uiso 1 1 calc R . .
C44 C 0.7847(9) 0.2295(6) 0.5713(5) 0.0194(17) Uani 1 1 d . . .
C45 C 0.6712(9) 0.2659(7) 0.5285(5) 0.0196(17) Uani 1 1 d . . .
C46 C 0.5457(8) 0.2092(6) 0.5372(5) 0.0154(16) Uani 1 1 d . . .
C47 C 0.5855(9) 0.1369(6) 0.5866(5) 0.0178(17) Uani 1 1 d . . .
C48 C 0.7284(10) 0.1483(6) 0.6053(5) 0.0206(18) Uani 1 1 d . . .
C49 C 0.9291(10) 0.2545(8) 0.5664(6) 0.030(2) Uani 1 1 d . . .
H56 H 0.9361 0.2066 0.5211 0.044 Uiso 1 1 calc R . .
H57 H 0.9941 0.2471 0.6151 0.044 Uiso 1 1 calc R . .
H58 H 0.9516 0.3263 0.5597 0.044 Uiso 1 1 calc R . .
C50 C 0.6756(10) 0.3366(8) 0.4721(5) 0.025(2) Uani 1 1 d . . .
H59 H 0.7617 0.3906 0.4929 0.037 Uiso 1 1 calc R . .
H60 H 0.5963 0.3694 0.4658 0.037 Uiso 1 1 calc R . .
H61 H 0.6716 0.2963 0.4207 0.037 Uiso 1 1 calc R . .
C51 C 0.4004(9) 0.2137(8) 0.4950(6) 0.028(2) Uani 1 1 d . . .
H62 H 0.3976 0.2855 0.4902 0.042 Uiso 1 1 calc R . .
H63 H 0.3388 0.1903 0.5250 0.042 Uiso 1 1 calc R . .
H64 H 0.3699 0.1683 0.4421 0.042 Uiso 1 1 calc R . .
C52 C 0.4837(11) 0.0533(8) 0.6016(6) 0.032(2) Uani 1 1 d . . .
H65 H 0.4655 -0.0109 0.5618 0.049 Uiso 1 1 calc R . .
H66 H 0.3970 0.0758 0.5983 0.049 Uiso 1 1 calc R . .
H67 H 0.5221 0.0407 0.6544 0.049 Uiso 1 1 calc R . .
C53 C 0.8086(11) 0.0764(8) 0.6434(6) 0.029(2) Uani 1 1 d . . .
H68 H 0.7734 0.0570 0.6858 0.043 Uiso 1 1 calc R . .
H69 H 0.9068 0.1117 0.6655 0.043 Uiso 1 1 calc R . .
H70 H 0.7980 0.0137 0.6037 0.043 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 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C3 W1 C4 78.0(4) . .
C3 W1 C46 88.3(3) . .
C4 W1 C46 92.7(3) . .
C3 W1 C45 85.2(3) . .
C4 W1 C45 126.7(3) . .
C46 W1 C45 36.1(3) . .
C3 W1 C47 122.3(3) . .
C4 W1 C47 88.6(3) . .
C46 W1 C47 35.9(3) . .
C45 W1 C47 59.0(3) . .
C3 W1 Si1 72.8(3) . .
C4 W1 Si1 98.6(3) . .
C46 W1 Si1 155.3(2) . .
C45 W1 Si1 124.0(2) . .
C47 W1 Si1 164.5(2) . .
C3 W1 C44 115.5(3) . .
C4 W1 C44 146.4(3) . .
C46 W1 C44 59.0(3) . .
C45 W1 C44 35.0(3) . .
C47 W1 C44 57.9(3) . .
Si1 W1 C44 114.6(2) . .
C3 W1 C1 123.5(3) . .
C4 W1 C1 84.0(3) . .
C46 W1 C1 146.1(3) . .
C45 W1 C1 143.9(3) . .
C47 W1 C1 110.1(3) . .
Si1 W1 C1 57.6(2) . .
C44 W1 C1 108.9(3) . .
C3 W1 C48 142.1(3) . .
C4 W1 C48 116.6(3) . .
C46 W1 C48 57.8(3) . .
C45 W1 C48 57.6(3) . .
C47 W1 C48 33.6(3) . .
Si1 W1 C48 132.4(2) . .
C44 W1 C48 34.5(3) . .
C1 W1 C48 93.7(3) . .
O1 Si1 C2 111.4(3) . .
O1 Si1 C1 40.6(3) . .
C2 Si1 C1 151.1(3) . .
O1 Si1 W1 102.8(2) . .
C2 Si1 W1 144.1(3) . .
C1 Si1 W1 62.3(2) . .
C1 O1 Si1 95.5(5) . .
C38 C1 O1 107.5(7) . .
C38 C1 C32 110.6(7) . .
O1 C1 C32 104.4(6) . .
C38 C1 Si1 126.1(6) . .
O1 C1 Si1 43.9(3) . .
C32 C1 Si1 119.8(6) . .
C38 C1 W1 115.1(6) . .
O1 C1 W1 104.0(5) . .
C32 C1 W1 114.2(6) . .
Si1 C1 W1 60.1(2) . .
C5 C2 C9 117.0(7) . .
C5 C2 Si1 121.6(6) . .
C9 C2 Si1 121.3(6) . .
O2 C3 W1 176.4(8) . .
O3 C4 W1 170.8(9) . .
C2 C5 C6 120.6(7) . .
C2 C5 C10 131.1(7) . .
C6 C5 C10 108.1(7) . .
C7 C6 C5 120.7(7) . .
C7 C6 C12 125.3(7) . .
C5 C6 C12 114.0(7) . .
C6 C7 C8 119.4(7) . .
C7 C8 C9 120.2(7) . .
C7 C8 C13 125.6(7) . .
C9 C8 C13 114.0(7) . .
C8 C9 C2 121.5(7) . .
C8 C9 C15 110.0(7) . .
C2 C9 C15 128.5(7) . .
C17 C10 C11 111.7(7) . .
C17 C10 C5 112.8(7) . .
C11 C10 C5 103.2(6) . .
C17 C10 C18 112.5(7) . .
C11 C10 C18 111.8(7) . .
C5 C10 C18 104.3(6) . .
C10 C11 C12 108.6(7) . .
C6 C12 C22 110.1(7) . .
C6 C12 C11 102.7(6) . .
C22 C12 C11 111.7(7) . .
C6 C12 C21 110.4(7) . .
C22 C12 C21 109.5(7) . .
C11 C12 C21 112.2(7) . .
C8 C13 C14 103.0(6) . .
C8 C13 C25 109.9(7) . .
C14 C13 C25 112.6(7) . .
C8 C13 C26 110.5(7) . .
C14 C13 C26 111.9(7) . .
C25 C13 C26 108.8(7) . .
C13 C14 C15 109.3(6) . .
C9 C15 C29 110.7(7) . .
C9 C15 C30 110.8(7) . .
C29 C15 C30 109.8(7) . .
C9 C15 C14 103.1(6) . .
C29 C15 C14 111.0(7) . .
C30 C15 C14 111.3(7) . .
C16 C17 C10 116.4(7) . .
C19 C18 C10 117.5(7) . .
C20 C21 C12 114.8(8) . .
C12 C22 C23 114.5(8) . .
C24 C25 C13 115.2(8) . .
C27 C26 C13 114.7(8) . .
C28 C29 C15 116.1(7) . .
C31 C30 C15 114.7(7) . .
C37 C32 C33 118.4(8) . .
C37 C32 C1 122.2(8) . .
C33 C32 C1 119.3(8) . .
C34 C33 C32 121.7(9) . .
C33 C34 C35 119.8(9) . .
C36 C35 C34 119.2(8) . .
C35 C36 C37 120.3(8) . .
C32 C37 C36 120.5(8) . .
C43 C38 C39 116.9(8) . .
C43 C38 C1 121.3(8) . .
C39 C38 C1 121.6(8) . .
C40 C39 C38 120.7(9) . .
C41 C40 C39 120.8(10) . .
C42 C41 C40 120.0(9) . .
C41 C42 C43 118.8(10) . .
C38 C43 C42 122.6(10) . .
C45 C44 C48 107.0(8) . .
C45 C44 C49 125.5(8) . .
C48 C44 C49 126.2(8) . .
C45 C44 W1 69.8(5) . .
C48 C44 W1 74.4(5) . .
C49 C44 W1 131.1(6) . .
C44 C45 C46 108.6(8) . .
C44 C45 C50 126.3(8) . .
C46 C45 C50 124.3(8) . .
C44 C45 W1 75.2(5) . .
C46 C45 W1 71.7(5) . .
C50 C45 W1 127.2(6) . .
C45 C46 C47 106.7(7) . .
C45 C46 C51 126.7(8) . .
C47 C46 C51 126.1(8) . .
C45 C46 W1 72.2(5) . .
C47 C46 W1 74.2(5) . .
C51 C46 W1 124.8(6) . .
C48 C47 C46 108.2(7) . .
C48 C47 C52 127.3(9) . .
C46 C47 C52 123.8(8) . .
C48 C47 W1 75.7(5) . .
C46 C47 W1 69.8(4) . .
C52 C47 W1 127.9(6) . .
C47 C48 C44 109.5(8) . .
C47 C48 C53 125.4(8) . .
C44 C48 C53 124.5(8) . .
C47 C48 W1 70.8(5) . .
C44 C48 W1 71.1(5) . .
C53 C48 W1 132.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C3 1.944(9) .
W1 C4 1.956(9) .
W1 C46 2.321(8) .
W1 C45 2.329(8) .
W1 C47 2.380(8) .
W1 Si1 2.386(2) .
W1 C44 2.399(8) .
W1 C1 2.435(9) .
W1 C48 2.443(8) .
Si1 O1 1.617(6) .
Si1 C2 1.896(8) .
Si1 C1 2.322(9) .
O1 C1 1.518(10) .
C1 C38 1.506(12) .
C1 C32 1.524(12) .
C2 C5 1.406(11) .
C2 C9 1.421(11) .
C3 O2 1.178(11) .
C4 O3 1.151(11) .
C5 C6 1.412(11) .
C5 C10 1.555(11) .
C6 C7 1.384(11) .
C6 C12 1.502(11) .
C7 C8 1.392(11) .
C8 C9 1.394(11) .
C8 C13 1.499(11) .
C9 C15 1.527(11) .
C10 C17 1.543(11) .
C10 C11 1.547(11) .
C10 C18 1.557(12) .
C11 C12 1.557(12) .
C12 C22 1.534(12) .
C12 C21 1.564(13) .
C13 C14 1.538(11) .
C13 C25 1.557(12) .
C13 C26 1.562(12) .
C14 C15 1.572(11) .
C15 C29 1.539(12) .
C15 C30 1.546(12) .
C16 C17 1.538(11) .
C18 C19 1.524(12) .
C20 C21 1.513(13) .
C22 C23 1.535(14) .
C24 C25 1.531(13) .
C26 C27 1.506(14) .
C28 C29 1.530(12) .
C30 C31 1.531(13) .
C32 C37 1.374(12) .
C32 C33 1.399(12) .
C33 C34 1.376(13) .
C34 C35 1.404(14) .
C35 C36 1.374(13) .
C36 C37 1.420(12) .
C38 C43 1.388(13) .
C38 C39 1.393(13) .
C39 C40 1.388(14) .
C40 C41 1.378(16) .
C41 C42 1.367(16) .
C42 C43 1.397(12) .
C44 C45 1.425(12) .
C44 C48 1.438(12) .
C44 C49 1.496(13) .
C45 C46 1.440(12) .
C45 C50 1.496(12) .
C46 C47 1.452(12) .
C46 C51 1.502(12) .
C47 C48 1.394(13) .
C47 C52 1.503(12) .
C48 C53 1.501(13) .
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
C3 W1 Si1 O1 150.4(4) . . . .
C4 W1 Si1 O1 75.9(4) . . . .
C46 W1 Si1 O1 -167.9(5) . . . .
C45 W1 Si1 O1 -137.9(3) . . . .
C47 W1 Si1 O1 -41.4(9) . . . .
C44 W1 Si1 O1 -98.9(3) . . . .
C1 W1 Si1 O1 -1.4(3) . . . .
C48 W1 Si1 O1 -62.9(4) . . . .
C3 W1 Si1 C2 -12.2(5) . . . .
C4 W1 Si1 C2 -86.7(5) . . . .
C46 W1 Si1 C2 29.6(7) . . . .
C45 W1 Si1 C2 59.5(5) . . . .
C47 W1 Si1 C2 156.0(9) . . . .
C44 W1 Si1 C2 98.5(5) . . . .
C1 W1 Si1 C2 -163.9(5) . . . .
C48 W1 Si1 C2 134.6(5) . . . .
C3 W1 Si1 C1 151.8(4) . . . .
C4 W1 Si1 C1 77.2(4) . . . .
C46 W1 Si1 C1 -166.5(5) . . . .
C45 W1 Si1 C1 -136.5(4) . . . .
C47 W1 Si1 C1 -40.1(9) . . . .
C44 W1 Si1 C1 -97.5(3) . . . .
C48 W1 Si1 C1 -61.5(4) . . . .
C2 Si1 O1 C1 171.0(5) . . . .
W1 Si1 O1 C1 1.9(4) . . . .
Si1 O1 C1 C38 -124.3(6) . . . .
Si1 O1 C1 C32 118.2(6) . . . .
Si1 O1 C1 W1 -1.8(4) . . . .
O1 Si1 C1 C38 77.2(8) . . . .
C2 Si1 C1 C38 59.6(11) . . . .
W1 Si1 C1 C38 -100.8(8) . . . .
C2 Si1 C1 O1 -17.6(9) . . . .
W1 Si1 C1 O1 -178.0(5) . . . .
O1 Si1 C1 C32 -79.5(7) . . . .
C2 Si1 C1 C32 -97.1(9) . . . .
W1 Si1 C1 C32 102.5(7) . . . .
O1 Si1 C1 W1 178.0(5) . . . .
C2 Si1 C1 W1 160.4(6) . . . .
C3 W1 C1 C38 85.9(7) . . . .
C4 W1 C1 C38 14.5(6) . . . .
C46 W1 C1 C38 -71.3(8) . . . .
C45 W1 C1 C38 -136.5(6) . . . .
C47 W1 C1 C38 -71.8(7) . . . .
Si1 W1 C1 C38 118.7(7) . . . .
C44 W1 C1 C38 -133.6(6) . . . .
C48 W1 C1 C38 -101.8(6) . . . .
C3 W1 C1 O1 -31.4(6) . . . .
C4 W1 C1 O1 -102.7(5) . . . .
C46 W1 C1 O1 171.4(4) . . . .
C45 W1 C1 O1 106.2(6) . . . .
C47 W1 C1 O1 170.9(5) . . . .
Si1 W1 C1 O1 1.5(4) . . . .
C44 W1 C1 O1 109.2(5) . . . .
C48 W1 C1 O1 140.9(5) . . . .
C3 W1 C1 C32 -144.5(6) . . . .
C4 W1 C1 C32 144.1(6) . . . .
C46 W1 C1 C32 58.3(8) . . . .
C45 W1 C1 C32 -6.9(9) . . . .
C47 W1 C1 C32 57.8(6) . . . .
Si1 W1 C1 C32 -111.7(6) . . . .
C44 W1 C1 C32 -4.0(7) . . . .
C48 W1 C1 C32 27.8(6) . . . .
C3 W1 C1 Si1 -32.8(4) . . . .
C4 W1 C1 Si1 -104.2(3) . . . .
C46 W1 C1 Si1 169.9(4) . . . .
C45 W1 C1 Si1 104.7(5) . . . .
C47 W1 C1 Si1 169.5(2) . . . .
C44 W1 C1 Si1 107.7(3) . . . .
C48 W1 C1 Si1 139.4(3) . . . .
O1 Si1 C2 C5 -67.9(7) . . . .
C1 Si1 C2 C5 -55.7(11) . . . .
W1 Si1 C2 C5 93.8(7) . . . .
O1 Si1 C2 C9 113.6(7) . . . .
C1 Si1 C2 C9 125.8(8) . . . .
W1 Si1 C2 C9 -84.7(8) . . . .
C4 W1 C3 O2 -67(13) . . . .
C46 W1 C3 O2 26(13) . . . .
C45 W1 C3 O2 62(13) . . . .
C47 W1 C3 O2 14(13) . . . .
Si1 W1 C3 O2 -170(13) . . . .
C44 W1 C3 O2 80(13) . . . .
C1 W1 C3 O2 -141(13) . . . .
C48 W1 C3 O2 51(13) . . . .
C3 W1 C4 O3 58(5) . . . .
C46 W1 C4 O3 -30(5) . . . .
C45 W1 C4 O3 -17(5) . . . .
C47 W1 C4 O3 -66(5) . . . .
Si1 W1 C4 O3 128(5) . . . .
C44 W1 C4 O3 -61(5) . . . .
C1 W1 C4 O3 -176(5) . . . .
C48 W1 C4 O3 -85(5) . . . .
C9 C2 C5 C6 5.4(12) . . . .
Si1 C2 C5 C6 -173.2(6) . . . .
C9 C2 C5 C10 -169.3(8) . . . .
Si1 C2 C5 C10 12.1(12) . . . .
C2 C5 C6 C7 -7.5(12) . . . .
C10 C5 C6 C7 168.2(8) . . . .
C2 C5 C6 C12 173.8(7) . . . .
C10 C5 C6 C12 -10.4(10) . . . .
C5 C6 C7 C8 3.3(13) . . . .
C12 C6 C7 C8 -178.2(8) . . . .
C6 C7 C8 C9 2.7(12) . . . .
C6 C7 C8 C13 -172.9(8) . . . .
C7 C8 C9 C2 -4.8(12) . . . .
C13 C8 C9 C2 171.3(7) . . . .
C7 C8 C9 C15 175.1(7) . . . .
C13 C8 C9 C15 -8.8(10) . . . .
C5 C2 C9 C8 0.6(12) . . . .
Si1 C2 C9 C8 179.2(6) . . . .
C5 C2 C9 C15 -179.1(8) . . . .
Si1 C2 C9 C15 -0.5(12) . . . .
C2 C5 C10 C17 -46.7(12) . . . .
C6 C5 C10 C17 138.1(7) . . . .
C2 C5 C10 C11 -167.4(9) . . . .
C6 C5 C10 C11 17.4(9) . . . .
C2 C5 C10 C18 75.6(11) . . . .
C6 C5 C10 C18 -99.5(8) . . . .
C17 C10 C11 C12 -139.8(7) . . . .
C5 C10 C11 C12 -18.4(9) . . . .
C18 C10 C11 C12 93.1(8) . . . .
C7 C6 C12 C22 60.9(11) . . . .
C5 C6 C12 C22 -120.5(8) . . . .
C7 C6 C12 C11 -179.9(8) . . . .
C5 C6 C12 C11 -1.4(9) . . . .
C7 C6 C12 C21 -60.1(11) . . . .
C5 C6 C12 C21 118.4(8) . . . .
C10 C11 C12 C6 12.7(9) . . . .
C10 C11 C12 C22 130.7(8) . . . .
C10 C11 C12 C21 -105.9(8) . . . .
C7 C8 C13 C14 -177.2(8) . . . .
C9 C8 C13 C14 7.0(9) . . . .
C7 C8 C13 C25 -56.9(11) . . . .
C9 C8 C13 C25 127.2(8) . . . .
C7 C8 C13 C26 63.2(11) . . . .
C9 C8 C13 C26 -112.6(8) . . . .
C8 C13 C14 C15 -2.5(9) . . . .
C25 C13 C14 C15 -120.8(7) . . . .
C26 C13 C14 C15 116.2(7) . . . .
C8 C9 C15 C29 125.2(7) . . . .
C2 C9 C15 C29 -55.0(11) . . . .
C8 C9 C15 C30 -112.7(8) . . . .
C2 C9 C15 C30 67.1(11) . . . .
C8 C9 C15 C14 6.5(9) . . . .
C2 C9 C15 C14 -173.7(8) . . . .
C13 C14 C15 C9 -2.2(9) . . . .
C13 C14 C15 C29 -120.8(8) . . . .
C13 C14 C15 C30 116.7(8) . . . .
C11 C10 C17 C16 -44.8(10) . . . .
C5 C10 C17 C16 -160.4(8) . . . .
C18 C10 C17 C16 82.0(9) . . . .
C17 C10 C18 C19 -59.3(10) . . . .
C11 C10 C18 C19 67.4(10) . . . .
C5 C10 C18 C19 178.2(7) . . . .
C6 C12 C21 C20 176.0(8) . . . .
C22 C12 C21 C20 54.5(11) . . . .
C11 C12 C21 C20 -70.1(10) . . . .
C6 C12 C22 C23 47.8(10) . . . .
C11 C12 C22 C23 -65.6(10) . . . .
C21 C12 C22 C23 169.4(8) . . . .
C8 C13 C25 C24 177.0(8) . . . .
C14 C13 C25 C24 -68.8(10) . . . .
C26 C13 C25 C24 55.8(10) . . . .
C8 C13 C26 C27 52.9(10) . . . .
C14 C13 C26 C27 -61.2(10) . . . .
C25 C13 C26 C27 173.7(8) . . . .
C9 C15 C29 C28 -176.0(7) . . . .
C30 C15 C29 C28 61.3(9) . . . .
C14 C15 C29 C28 -62.1(10) . . . .
C9 C15 C30 C31 51.5(9) . . . .
C29 C15 C30 C31 174.2(7) . . . .
C14 C15 C30 C31 -62.6(9) . . . .
C38 C1 C32 C37 7.5(12) . . . .
O1 C1 C32 C37 122.8(8) . . . .
Si1 C1 C32 C37 167.5(7) . . . .
W1 C1 C32 C37 -124.3(8) . . . .
C38 C1 C32 C33 -167.4(8) . . . .
O1 C1 C32 C33 -52.1(10) . . . .
Si1 C1 C32 C33 -7.4(11) . . . .
W1 C1 C32 C33 60.8(9) . . . .
C37 C32 C33 C34 1.2(14) . . . .
C1 C32 C33 C34 176.2(9) . . . .
C32 C33 C34 C35 -1.6(15) . . . .
C33 C34 C35 C36 1.6(15) . . . .
C34 C35 C36 C37 -1.3(14) . . . .
C33 C32 C37 C36 -0.8(13) . . . .
C1 C32 C37 C36 -175.7(8) . . . .
C35 C36 C37 C32 0.9(14) . . . .
O1 C1 C38 C43 168.0(8) . . . .
C32 C1 C38 C43 -78.6(10) . . . .
Si1 C1 C38 C43 122.9(8) . . . .
W1 C1 C38 C43 52.7(10) . . . .
O1 C1 C38 C39 -16.7(11) . . . .
C32 C1 C38 C39 96.6(10) . . . .
Si1 C1 C38 C39 -61.8(11) . . . .
W1 C1 C38 C39 -132.0(8) . . . .
C43 C38 C39 C40 -1.7(14) . . . .
C1 C38 C39 C40 -177.1(9) . . . .
C38 C39 C40 C41 -1.4(17) . . . .
C39 C40 C41 C42 3.3(17) . . . .
C40 C41 C42 C43 -1.9(15) . . . .
C39 C38 C43 C42 3.0(14) . . . .
C1 C38 C43 C42 178.5(9) . . . .
C41 C42 C43 C38 -1.3(15) . . . .
C3 W1 C44 C45 -32.9(6) . . . .
C4 W1 C44 C45 74.6(8) . . . .
C46 W1 C44 C45 38.2(5) . . . .
C47 W1 C44 C45 80.7(5) . . . .
Si1 W1 C44 C45 -114.7(5) . . . .
C1 W1 C44 C45 -176.9(5) . . . .
C48 W1 C44 C45 115.3(7) . . . .
C3 W1 C44 C48 -148.2(5) . . . .
C4 W1 C44 C48 -40.6(9) . . . .
C46 W1 C44 C48 -77.1(6) . . . .
C45 W1 C44 C48 -115.3(7) . . . .
C47 W1 C44 C48 -34.6(5) . . . .
Si1 W1 C44 C48 130.0(5) . . . .
C1 W1 C44 C48 67.8(6) . . . .
C3 W1 C44 C49 87.1(9) . . . .
C4 W1 C44 C49 -165.4(8) . . . .
C46 W1 C44 C49 158.2(10) . . . .
C45 W1 C44 C49 119.9(11) . . . .
C47 W1 C44 C49 -159.4(10) . . . .
Si1 W1 C44 C49 5.2(9) . . . .
C1 W1 C44 C49 -57.0(9) . . . .
C48 W1 C44 C49 -124.8(11) . . . .
C48 C44 C45 C46 1.2(9) . . . .
C49 C44 C45 C46 168.9(8) . . . .
W1 C44 C45 C46 -64.4(6) . . . .
C48 C44 C45 C50 -168.8(8) . . . .
C49 C44 C45 C50 -1.1(14) . . . .
W1 C44 C45 C50 125.6(9) . . . .
C48 C44 C45 W1 65.6(6) . . . .
C49 C44 C45 W1 -126.7(9) . . . .
C3 W1 C45 C44 150.5(6) . . . .
C4 W1 C45 C44 -138.2(5) . . . .
C46 W1 C45 C44 -115.7(7) . . . .
C47 W1 C45 C44 -77.0(5) . . . .
Si1 W1 C45 C44 85.0(5) . . . .
C1 W1 C45 C44 4.9(8) . . . .
C48 W1 C45 C44 -37.4(5) . . . .
C3 W1 C45 C46 -93.7(5) . . . .
C4 W1 C45 C46 -22.5(7) . . . .
C47 W1 C45 C46 38.7(5) . . . .
Si1 W1 C45 C46 -159.3(4) . . . .
C44 W1 C45 C46 115.7(7) . . . .
C1 W1 C45 C46 120.7(6) . . . .
C48 W1 C45 C46 78.4(5) . . . .
C3 W1 C45 C50 25.9(8) . . . .
C4 W1 C45 C50 97.2(8) . . . .
C46 W1 C45 C50 119.6(10) . . . .
C47 W1 C45 C50 158.4(9) . . . .
Si1 W1 C45 C50 -39.6(9) . . . .
C44 W1 C45 C50 -124.6(10) . . . .
C1 W1 C45 C50 -119.7(8) . . . .
C48 W1 C45 C50 -162.0(9) . . . .
C44 C45 C46 C47 0.0(9) . . . .
C50 C45 C46 C47 170.1(8) . . . .
W1 C45 C46 C47 -66.8(5) . . . .
C44 C45 C46 C51 -172.8(8) . . . .
C50 C45 C46 C51 -2.6(14) . . . .
W1 C45 C46 C51 120.5(8) . . . .
C44 C45 C46 W1 66.7(6) . . . .
C50 C45 C46 W1 -123.1(9) . . . .
C3 W1 C46 C45 84.2(5) . . . .
C4 W1 C46 C45 162.1(5) . . . .
C47 W1 C46 C45 -113.9(7) . . . .
Si1 W1 C46 C45 44.7(8) . . . .
C44 W1 C46 C45 -37.1(5) . . . .
C1 W1 C46 C45 -114.6(6) . . . .
C48 W1 C46 C45 -77.9(5) . . . .
C3 W1 C46 C47 -161.9(5) . . . .
C4 W1 C46 C47 -84.0(5) . . . .
C45 W1 C46 C47 113.9(7) . . . .
Si1 W1 C46 C47 158.5(4) . . . .
C44 W1 C46 C47 76.8(5) . . . .
C1 W1 C46 C47 -0.8(8) . . . .
C48 W1 C46 C47 36.0(5) . . . .
C3 W1 C46 C51 -38.6(8) . . . .
C4 W1 C46 C51 39.3(8) . . . .
C45 W1 C46 C51 -122.8(10) . . . .
C47 W1 C46 C51 123.3(10) . . . .
Si1 W1 C46 C51 -78.1(9) . . . .
C44 W1 C46 C51 -159.9(9) . . . .
C1 W1 C46 C51 122.6(8) . . . .
C48 W1 C46 C51 159.3(9) . . . .
C45 C46 C47 C48 -1.1(9) . . . .
C51 C46 C47 C48 171.6(8) . . . .
W1 C46 C47 C48 -66.6(6) . . . .
C45 C46 C47 C52 -171.8(8) . . . .
C51 C46 C47 C52 1.0(13) . . . .
W1 C46 C47 C52 122.8(8) . . . .
C45 C46 C47 W1 65.4(5) . . . .
C51 C46 C47 W1 -121.8(8) . . . .
C3 W1 C47 C48 137.4(5) . . . .
C4 W1 C47 C48 -147.7(6) . . . .
C46 W1 C47 C48 115.9(7) . . . .
C45 W1 C47 C48 77.0(6) . . . .
Si1 W1 C47 C48 -29.2(11) . . . .
C44 W1 C47 C48 35.6(5) . . . .
C1 W1 C47 C48 -64.6(6) . . . .
C3 W1 C47 C46 21.5(6) . . . .
C4 W1 C47 C46 96.4(5) . . . .
C45 W1 C47 C46 -38.9(5) . . . .
Si1 W1 C47 C46 -145.1(7) . . . .
C44 W1 C47 C46 -80.2(5) . . . .
C1 W1 C47 C46 179.5(5) . . . .
C48 W1 C47 C46 -115.9(7) . . . .
C3 W1 C47 C52 -96.2(9) . . . .
C4 W1 C47 C52 -21.2(9) . . . .
C46 W1 C47 C52 -117.7(10) . . . .
C45 W1 C47 C52 -156.6(10) . . . .
Si1 W1 C47 C52 97.3(11) . . . .
C44 W1 C47 C52 162.1(10) . . . .
C1 W1 C47 C52 61.9(9) . . . .
C48 W1 C47 C52 126.5(11) . . . .
C46 C47 C48 C44 1.9(9) . . . .
C52 C47 C48 C44 172.1(8) . . . .
W1 C47 C48 C44 -60.8(6) . . . .
C46 C47 C48 C53 -168.9(8) . . . .
C52 C47 C48 C53 1.3(14) . . . .
W1 C47 C48 C53 128.4(9) . . . .
C46 C47 C48 W1 62.7(6) . . . .
C52 C47 C48 W1 -127.1(9) . . . .
C45 C44 C48 C47 -1.9(9) . . . .
C49 C44 C48 C47 -169.5(8) . . . .
W1 C44 C48 C47 60.6(6) . . . .
C45 C44 C48 C53 169.0(8) . . . .
C49 C44 C48 C53 1.4(14) . . . .
W1 C44 C48 C53 -128.5(8) . . . .
C45 C44 C48 W1 -62.5(6) . . . .
C49 C44 C48 W1 129.9(9) . . . .
C3 W1 C48 C47 -68.7(7) . . . .
C4 W1 C48 C47 36.7(6) . . . .
C46 W1 C48 C47 -38.6(5) . . . .
C45 W1 C48 C47 -81.6(6) . . . .
Si1 W1 C48 C47 169.9(4) . . . .
C44 W1 C48 C47 -119.5(8) . . . .
C1 W1 C48 C47 121.8(5) . . . .
C3 W1 C48 C44 50.8(8) . . . .
C4 W1 C48 C44 156.2(5) . . . .
C46 W1 C48 C44 80.9(6) . . . .
C45 W1 C48 C44 37.9(5) . . . .
C47 W1 C48 C44 119.5(8) . . . .
Si1 W1 C48 C44 -70.6(6) . . . .
C1 W1 C48 C44 -118.6(5) . . . .
C3 W1 C48 C53 170.6(8) . . . .
C4 W1 C48 C53 -84.0(9) . . . .
C46 W1 C48 C53 -159.3(10) . . . .
C45 W1 C48 C53 157.7(10) . . . .
C47 W1 C48 C53 -120.7(11) . . . .
Si1 W1 C48 C53 49.1(10) . . . .
C44 W1 C48 C53 119.8(11) . . . .
C1 W1 C48 C53 1.1(9) . . . .
loop_
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1 'Vaitkus, Antanas' 2024-10-24T15:49:02+03:00
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 Marked entry as a duplicate of entry 4086764.
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