#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:58:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180204 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/98/7109872.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_7109872
loop_
_publ_author_name
'Laurel A. Morton'
'Maozhong Miao'
'Tabitha M. Callaway'
'Tianniu Chen'
'Shu-Jian Chen'
'Albert A. Tuinman'
'Xianghua Yu'
'Zheng Lu'
'Zi-Ling Xue'
_publ_section_title
;
 Reactions of d0 tungsten alkylidyne complexes with O2 or H2O. Formation
 of an oxo siloxy complex through unusual silyl migrations
;
_journal_name_full               Chem.Commun.
_journal_page_first              9555
_journal_paper_doi               10.1039/c3cc46014b
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C31 H84 O2 Si8 W2'
_chemical_formula_weight         1081.40
_chemical_name_systematic
; 
 ?
;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   16.1077(7)
_cell_length_b                   16.1077(7)
_cell_length_c                   68.397(4)
_cell_measurement_temperature    173(2)
_cell_volume                     15368.6(13)
_computing_cell_refinement       'SMART, Bruker (2000)'
_computing_data_collection       'SMART, Bruker (2000)'
_computing_data_reduction        'XPREP, Bruker (2000)'
_computing_molecular_graphics    'SHELXTL, Bruker (2000)'
_computing_publication_material  'SHELXTL, Bruker (2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       91
_diffrn_reflns_limit_l_min       -91
_diffrn_reflns_number            46502
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    4.697
_exptl_absorpt_correction_T_max  0.5393
_exptl_absorpt_correction_T_min  0.3428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             6552
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.421
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         8397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.877
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.080
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0416P)²+126.6670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0850
_reflns_number_gt                5689
_reflns_number_total             8397
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc46014b.txt
_cod_data_source_block           wa
_cod_original_cell_volume        15368.5(13)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7109872
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
C1 C 0.6667 0.3333 0.15414(12) 0.0341(19) Uani 1 3 d S
C2 C 0.6390(5) 0.4261(5) 0.11809(8) 0.0610(18) Uani 1 1 d .
H2A H 0.5771 0.4121 0.1227 0.092 Uiso 1 1 calc R
H2B H 0.6389 0.4255 0.1041 0.092 Uiso 1 1 calc R
H2C H 0.6867 0.4882 0.1227 0.092 Uiso 1 1 calc R
C3 C 0.7708(4) 0.4767(3) 0.18595(7) 0.0340(11) Uani 1 1 d .
H3A H 0.7415 0.5149 0.1827 0.041 Uiso 1 1 calc R
H3B H 0.7810 0.4819 0.2000 0.041 Uiso 1 1 calc R
C4 C 0.8867(4) 0.5961(4) 0.15131(8) 0.0498(15) Uani 1 1 d .
H4A H 0.9480 0.6249 0.1449 0.075 Uiso 1 1 calc R
H4B H 0.8704 0.6445 0.1542 0.075 Uiso 1 1 calc R
H4C H 0.8389 0.5486 0.1429 0.075 Uiso 1 1 calc R
C5 C 0.9402(4) 0.4579(4) 0.16858(9) 0.0542(16) Uani 1 1 d .
H5A H 0.8984 0.4100 0.1594 0.081 Uiso 1 1 calc R
H5B H 0.9442 0.4273 0.1803 0.081 Uiso 1 1 calc R
H5C H 1.0030 0.4947 0.1629 0.081 Uiso 1 1 calc R
C6 C 0.9760(4) 0.6305(4) 0.19232(9) 0.0564(16) Uani 1 1 d .
H6A H 0.9772 0.5996 0.2042 0.085 Uiso 1 1 calc R
H6B H 0.9543 0.6751 0.1950 0.085 Uiso 1 1 calc R
H6C H 1.0393 0.6642 0.1868 0.085 Uiso 1 1 calc R
C7 C 0.7283(3) 0.2453(3) 0.24473(7) 0.0288(10) Uani 1 1 d .
H7A H 0.7056 0.2075 0.2566 0.035 Uiso 1 1 calc R
H7B H 0.7032 0.2010 0.2338 0.035 Uiso 1 1 calc R
C8 C 0.9144(4) 0.3836(4) 0.22273(8) 0.0491(14) Uani 1 1 d .
H8A H 0.9823 0.4082 0.2222 0.074 Uiso 1 1 calc R
H8B H 0.9022 0.4359 0.2239 0.074 Uiso 1 1 calc R
H8C H 0.8850 0.3482 0.2110 0.074 Uiso 1 1 calc R
C9 C 0.8911(5) 0.2042(5) 0.24255(11) 0.0638(19) Uani 1 1 d .
H9A H 0.8626 0.1676 0.2309 0.096 Uiso 1 1 calc R
H9B H 0.8655 0.1633 0.2538 0.096 Uiso 1 1 calc R
H9C H 0.9593 0.2305 0.2421 0.096 Uiso 1 1 calc R
C10 C 0.9182(4) 0.3733(5) 0.26705(8) 0.0503(15) Uani 1 1 d .
H10A H 0.9866 0.4018 0.2664 0.075 Uiso 1 1 calc R
H10B H 0.8941 0.3315 0.2782 0.075 Uiso 1 1 calc R
H10C H 0.9019 0.4229 0.2683 0.075 Uiso 1 1 calc R
C11 C 0.7505(4) 0.4568(4) 0.30406(8) 0.0445(13) Uani 1 1 d .
H11A H 0.8108 0.4812 0.2974 0.067 Uiso 1 1 calc R
H11B H 0.7603 0.4559 0.3179 0.067 Uiso 1 1 calc R
H11C H 0.7239 0.4972 0.3013 0.067 Uiso 1 1 calc R
C12 C 0.4573(6) 0.7419(6) 0.13309(11) 0.087(3) Uani 1 1 d .
H12A H 0.4979 0.7215 0.1271 0.131 Uiso 1 1 calc R
H12B H 0.4587 0.7357 0.1470 0.131 Uiso 1 1 calc R
H12C H 0.4797 0.8077 0.1298 0.131 Uiso 1 1 calc R
C13 C 0.2263(3) 0.5225(3) 0.07270(8) 0.0377(12) Uani 1 1 d .
H13A H 0.2368 0.4904 0.0618 0.045 Uiso 1 1 calc R
H13B H 0.2358 0.4952 0.0845 0.045 Uiso 1 1 calc R
C14 C 0.0246(5) 0.3585(4) 0.06944(14) 0.088(3) Uani 1 1 d .
H14A H 0.0375 0.3286 0.0802 0.132 Uiso 1 1 calc R
H14B H 0.0411 0.3395 0.0574 0.132 Uiso 1 1 calc R
H14C H -0.0423 0.3391 0.0693 0.132 Uiso 1 1 calc R
C15 C 0.0753(4) 0.5487(4) 0.05076(8) 0.0481(14) Uani 1 1 d .
H15A H 0.0094 0.5329 0.0507 0.072 Uiso 1 1 calc R
H15B H 0.0894 0.5262 0.0389 0.072 Uiso 1 1 calc R
H15C H 0.1159 0.6170 0.0517 0.072 Uiso 1 1 calc R
C16 C 0.0644(5) 0.5289(6) 0.09509(10) 0.076(2) Uani 1 1 d .
H16A H 0.1005 0.5975 0.0961 0.113 Uiso 1 1 calc R
H16B H 0.0788 0.5009 0.1060 0.113 Uiso 1 1 calc R
H16C H -0.0028 0.5078 0.0950 0.113 Uiso 1 1 calc R
C17 C 0.3333 0.6667 0.98001(12) 0.0301(18) Uani 1 3 d S
C18 C 0.4111(4) 0.7907(4) 0.94296(8) 0.0490(15) Uani 1 1 d .
H18A H 0.3826 0.8292 0.9459 0.073 Uiso 1 1 calc R
H18B H 0.4172 0.7876 0.9291 0.073 Uiso 1 1 calc R
H18C H 0.4734 0.8188 0.9489 0.073 Uiso 1 1 calc R
C19 C 0.2380(3) 0.5216(3) 1.01148(7) 0.0317(10) Uani 1 1 d .
H19A H 0.2447 0.5120 1.0253 0.038 Uiso 1 1 calc R
H19B H 0.1739 0.5118 1.0098 0.038 Uiso 1 1 calc R
C20 C 0.3658(4) 0.4498(4) 0.99276(8) 0.0493(14) Uani 1 1 d .
H20A H 0.3972 0.5060 0.9847 0.074 Uiso 1 1 calc R
H20B H 0.3637 0.3965 0.9860 0.074 Uiso 1 1 calc R
H20C H 0.4006 0.4608 1.0048 0.074 Uiso 1 1 calc R
C21 C 0.1711(4) 0.3979(4) 0.97518(8) 0.0506(15) Uani 1 1 d .
H21A H 0.1041 0.3681 0.9782 0.076 Uiso 1 1 calc R
H21B H 0.1823 0.3559 0.9671 0.076 Uiso 1 1 calc R
H21C H 0.1909 0.4571 0.9684 0.076 Uiso 1 1 calc R
C22 C 0.1836(5) 0.3131(4) 1.01384(9) 0.0614(19) Uani 1 1 d .
H22A H 0.2174 0.3260 1.0260 0.092 Uiso 1 1 calc R
H22B H 0.1856 0.2615 1.0072 0.092 Uiso 1 1 calc R
H22C H 0.1181 0.2954 1.0163 0.092 Uiso 1 1 calc R
O1 O 0.6667 0.3333 0.21800(8) 0.0285(12) Uani 1 3 d S
O2 O 0.6667 0.3333 0.27150(8) 0.0301(13) Uani 1 3 d S
O3 O 0.3333 0.6667 0.04635(9) 0.0364(14) Uani 1 3 d S
O4 O 0.3333 0.6667 0.09970(10) 0.0464(16) Uani 1 3 d S
Si1 Si 0.6667 0.3333 0.12747(4) 0.0441(7) Uani 1 3 d S
Si2 Si 0.89243(10) 0.53831(10) 0.17449(2) 0.0353(3) Uani 1 1 d .
Si3 Si 0.86368(10) 0.30323(10) 0.244273(19) 0.0292(3) Uani 1 1 d .
Si4 Si 0.6667 0.3333 0.29544(3) 0.0278(5) Uani 1 3 d S
Si5 Si 0.3333 0.6667 0.12420(5) 0.0587(8) Uani 1 3 d S
Si6 Si 0.09711(11) 0.49092(11) 0.07204(3) 0.0440(4) Uani 1 1 d .
Si7 Si 0.3333 0.6667 0.95285(3) 0.0305(5) Uani 1 3 d S
Si8 Si 0.24109(11) 0.42264(10) 0.99821(2) 0.0349(3) Uani 1 1 d .
W1 W 0.6667 0.3333 0.180397(4) 0.02536(8) Uani 1 3 d S
W2 W 0.6667 0.3333 0.243456(4) 0.02062(8) Uani 1 3 d S
W3 W 0.3333 0.6667 0.071724(5) 0.03068(9) Uani 1 3 d S
W4 W 0.3333 0.6667 1.005619(5) 0.02320(8) Uani 1 3 d S
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'
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'
O O 0.0106 0.0060 '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'
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
W1 C1 Si1 180.0 . .
Si2 C3 W1 123.8(2) . .
Si3 C7 W2 118.9(2) . .
Si6 C13 W3 119.1(3) . .
W4 C17 Si7 180.000(1) . .
Si8 C19 W4 123.0(2) . .
W2 O1 W1 180.0 . .
Si4 O2 W2 180.0 . .
Si5 O4 W3 180.000(1) . .
C1 Si1 C2 110.0(2) . 3_665
C1 Si1 C2 110.0(2) . 2_655
C2 Si1 C2 108.9(2) 3_665 2_655
C1 Si1 C2 110.0(2) . .
C2 Si1 C2 108.9(2) 3_665 .
C2 Si1 C2 108.9(2) 2_655 .
C5 Si2 C4 107.7(3) . .
C5 Si2 C3 114.3(3) . .
C4 Si2 C3 108.8(3) . .
C5 Si2 C6 108.1(3) . .
C4 Si2 C6 110.7(3) . .
C3 Si2 C6 107.2(3) . .
C8 Si3 C9 109.7(3) . .
C8 Si3 C10 109.3(3) . .
C9 Si3 C10 109.3(3) . .
C8 Si3 C7 110.7(2) . .
C9 Si3 C7 106.7(3) . .
C10 Si3 C7 111.2(2) . .
O2 Si4 C11 108.52(18) . 3_665
O2 Si4 C11 108.52(18) . .
C11 Si4 C11 110.41(17) 3_665 .
O2 Si4 C11 108.52(18) . 2_655
C11 Si4 C11 110.41(17) 3_665 2_655
C11 Si4 C11 110.41(17) . 2_655
O4 Si5 C12 109.2(3) . 2_665
O4 Si5 C12 109.2(3) . .
C12 Si5 C12 109.7(3) 2_665 .
O4 Si5 C12 109.2(3) . 3_565
C12 Si5 C12 109.7(3) 2_665 3_565
C12 Si5 C12 109.7(3) . 3_565
C16 Si6 C15 110.2(3) . .
C16 Si6 C14 109.9(4) . .
C15 Si6 C14 109.5(3) . .
C16 Si6 C13 110.4(3) . .
C15 Si6 C13 110.2(2) . .
C14 Si6 C13 106.8(3) . .
C17 Si7 C18 111.15(19) . 2_665
C17 Si7 C18 111.2(2) . .
C18 Si7 C18 107.7(2) 2_665 .
C17 Si7 C18 111.15(19) . 3_565
C18 Si7 C18 107.7(2) 2_665 3_565
C18 Si7 C18 107.7(2) . 3_565
C19 Si8 C21 108.9(3) . .
C19 Si8 C20 112.6(3) . .
C21 Si8 C20 110.3(3) . .
C19 Si8 C22 108.5(3) . .
C21 Si8 C22 108.8(3) . .
C20 Si8 C22 107.7(3) . .
C1 W1 C3 100.41(13) . 3_665
C1 W1 C3 100.41(13) . .
C3 W1 C3 116.81(8) 3_665 .
C1 W1 C3 100.41(13) . 2_655
C3 W1 C3 116.81(8) 3_665 2_655
C3 W1 C3 116.81(8) . 2_655
C1 W1 O1 180.000(1) . .
C3 W1 O1 79.59(13) 3_665 .
C3 W1 O1 79.59(13) . .
C3 W1 O1 79.59(13) 2_655 .
O1 W2 O2 180.000(1) . .
O1 W2 C7 92.38(12) . .
O2 W2 C7 87.62(12) . .
O1 W2 C7 92.38(12) . 2_655
O2 W2 C7 87.62(12) . 2_655
C7 W2 C7 119.830(19) . 2_655
O1 W2 C7 92.38(12) . 3_665
O2 W2 C7 87.62(12) . 3_665
C7 W2 C7 119.830(18) . 3_665
C7 W2 C7 119.830(18) 2_655 3_665
O3 W3 O4 180.000(1) . .
O3 W3 C13 91.83(15) . 3_565
O4 W3 C13 88.17(15) . 3_565
O3 W3 C13 91.83(15) . .
O4 W3 C13 88.17(15) . .
C13 W3 C13 119.899(17) 3_565 .
O3 W3 C13 91.83(15) . 2_665
O4 W3 C13 88.17(15) . 2_665
C13 W3 C13 119.899(18) 3_565 2_665
C13 W3 C13 119.899(17) . 2_665
C17 W4 C19 101.03(13) . 3_565
C17 W4 C19 101.03(13) . .
C19 W4 C19 116.43(8) 3_565 .
C17 W4 C19 101.03(13) . 2_665
C19 W4 C19 116.43(8) 3_565 2_665
C19 W4 C19 116.43(8) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 W1 1.796(8) .
C1 Si1 1.824(8) .
C2 Si1 1.874(6) .
C3 Si2 1.869(5) .
C3 W1 2.101(5) .
C4 Si2 1.864(5) .
C5 Si2 1.853(6) .
C6 Si2 1.873(6) .
C7 Si3 1.896(5) .
C7 W2 2.100(4) .
C8 Si3 1.859(5) .
C9 Si3 1.860(6) .
C10 Si3 1.866(5) .
C11 Si4 1.855(5) .
C12 Si5 1.845(7) .
C13 Si6 1.880(5) .
C13 W3 2.089(5) .
C14 Si6 1.858(6) .
C15 Si6 1.853(6) .
C16 Si6 1.859(7) .
C17 W4 1.752(8) .
C17 Si7 1.857(8) .
C18 Si7 1.875(5) .
C19 Si8 1.857(5) .
C19 W4 2.096(5) .
C20 Si8 1.867(6) .
C21 Si8 1.861(5) .
C22 Si8 1.865(6) .
O1 W2 1.741(5) .
O1 W1 2.572(5) .
O2 Si4 1.638(6) .
O2 W2 1.918(5) .
O3 W3 1.735(6) .
O4 Si5 1.675(7) .
O4 W3 1.913(7) .
Si1 C2 1.874(6) 3_665
Si1 C2 1.874(6) 2_655
Si4 C11 1.855(5) 3_665
Si4 C11 1.855(5) 2_655
Si5 C12 1.845(7) 2_665
Si5 C12 1.845(7) 3_565
Si7 C18 1.875(5) 2_665
Si7 C18 1.875(5) 3_565
W1 C3 2.101(5) 3_665
W1 C3 2.101(5) 2_655
W2 C7 2.100(4) 2_655
W2 C7 2.100(4) 3_665
W3 C13 2.089(5) 3_565
W3 C13 2.089(5) 2_665
W4 C19 2.096(5) 3_565
W4 C19 2.096(5) 2_665
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_4
W1 C1 Si1 C2 14(100) 3_665
W1 C1 Si1 C2 134(100) 2_655
W1 C1 Si1 C2 -106(100) .
W1 C3 Si2 C5 -30.2(4) .
W1 C3 Si2 C4 90.3(3) .
W1 C3 Si2 C6 -150.0(3) .
W2 C7 Si3 C8 -54.0(3) .
W2 C7 Si3 C9 -173.3(3) .
W2 C7 Si3 C10 67.6(3) .
W2 O2 Si4 C11 143(100) 3_665
W2 O2 Si4 C11 -97(100) .
W2 O2 Si4 C11 23(100) 2_655
W3 O4 Si5 C12 67(100) 2_665
W3 O4 Si5 C12 -53(100) .
W3 O4 Si5 C12 -173(100) 3_565
W3 C13 Si6 C16 -68.8(4) .
W3 C13 Si6 C15 53.0(4) .
W3 C13 Si6 C14 171.8(4) .
W4 C17 Si7 C18 68(100) 2_665
W4 C17 Si7 C18 -172(100) .
W4 C17 Si7 C18 -52(100) 3_565
W4 C19 Si8 C21 -84.8(4) .
W4 C19 Si8 C20 37.9(4) .
W4 C19 Si8 C22 156.9(3) .
Si1 C1 W1 C3 -72(100) 3_665
Si1 C1 W1 C3 48(100) .
Si1 C1 W1 C3 168(100) 2_655
Si1 C1 W1 O1 0(45) .
Si2 C3 W1 C1 -50.5(3) .
Si2 C3 W1 C3 56.9(5) 3_665
Si2 C3 W1 C3 -157.9(2) 2_655
Si2 C3 W1 O1 129.5(3) .
W2 O1 W1 C1 0(62) .
W2 O1 W1 C3 -45(100) 3_665
W2 O1 W1 C3 -165(100) .
W2 O1 W1 C3 75(100) 2_655
W1 O1 W2 O2 0(55) .
W1 O1 W2 C7 54(100) .
W1 O1 W2 C7 174(100) 2_655
W1 O1 W2 C7 -66(100) 3_665
Si4 O2 W2 O1 0(38) .
Si4 O2 W2 C7 -149(100) .
Si4 O2 W2 C7 91(100) 2_655
Si4 O2 W2 C7 -29(100) 3_665
Si3 C7 W2 O1 87.6(2) .
Si3 C7 W2 O2 -92.4(2) .
Si3 C7 W2 C7 -6.5(4) 2_655
Si3 C7 W2 C7 -178.28(5) 3_665
Si5 O4 W3 O3 0(25) .
Si5 O4 W3 C13 -44(100) 3_565
Si5 O4 W3 C13 -164(100) .
Si5 O4 W3 C13 76(100) 2_665
Si6 C13 W3 O3 -87.4(3) .
Si6 C13 W3 O4 92.6(3) .
Si6 C13 W3 C13 5.7(5) 3_565
Si6 C13 W3 C13 179.42(7) 2_665
Si7 C17 W4 C19 -130(100) 3_565
Si7 C17 W4 C19 -10(100) .
Si7 C17 W4 C19 110(100) 2_665
Si8 C19 W4 C17 43.9(3) .
Si8 C19 W4 C19 152.2(2) 3_565
Si8 C19 W4 C19 -64.4(4) 2_665
