#------------------------------------------------------------------------------
#$Date: 2017-02-15 11:47:36 +0200 (Wed, 15 Feb 2017) $
#$Revision: 192132 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/70/4087048.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_4087048
loop_
_publ_author_name
'Wang, Baiquan'
'Zhu, Bolin'
'Xu, Shansheng'
'Zhou, Xiuzhong'
_publ_section_title
;
 Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum
 (Tungsten) Carbonyl
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4842
_journal_page_last               4852
_journal_paper_doi               10.1021/om034039z
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C21 H18 O6 Si W2'
_chemical_formula_weight         762.14
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_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                 117.500(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.030(5)
_cell_length_b                   14.267(9)
_cell_length_c                   9.649(6)
_cell_measurement_reflns_used    796
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.59
_cell_measurement_theta_min      2.86
_cell_volume                     1102.6(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0625
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5980
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    10.512
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.605160
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    2.295
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.109
_refine_diff_density_min         -1.095
_refine_diff_density_rms         0.168
_refine_ls_extinction_coef       0.0062(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         2268
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0151P)²+0.4820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0679
_reflns_number_gt                1689
_reflns_number_total             2268
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om034039z_si_002.txt
_cod_data_source_block           030418b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4624 2016-04-14 12:54:50Z antanas 
;
_cod_original_cell_volume        1102.7(11)
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               4087048
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.24190(3) 0.130747(19) 0.75671(3) 0.02877(14) Uani 1 1 d . . .
Si1 Si -0.1598(3) 0.2500 0.6059(4) 0.0336(7) Uani 1 2 d S . .
C1 C 0.2190(10) 0.1536(5) 0.5450(11) 0.043(2) Uani 1 1 d . . .
O1 O 0.2006(8) 0.1545(4) 0.4201(7) 0.0640(19) Uani 1 1 d . . .
C2 C 0.3636(10) 0.0261(6) 0.7262(10) 0.044(2) Uani 1 1 d . . .
O2 O 0.4335(8) -0.0350(5) 0.7067(9) 0.074(2) Uani 1 1 d . . .
C3 C 0.4788(10) 0.1538(5) 0.9067(11) 0.042(2) Uani 1 1 d . . .
O3 O 0.6149(7) 0.1528(4) 0.9989(8) 0.0663(19) Uani 1 1 d . . .
C4 C -0.0264(8) 0.1543(5) 0.7268(9) 0.0316(18) Uani 1 1 d . . .
C5 C -0.0129(9) 0.0583(6) 0.6903(10) 0.042(2) Uani 1 1 d . . .
H5A H -0.0831 0.0283 0.5895 0.051 Uiso 1 1 calc R . .
C6 C 0.1073(11) 0.0124(6) 0.8206(12) 0.052(3) Uani 1 1 d . . .
H6A H 0.1338 -0.0545 0.8268 0.062 Uiso 1 1 calc R . .
C7 C 0.1694(9) 0.0752(6) 0.9467(10) 0.042(2) Uani 1 1 d . . .
H7A H 0.2477 0.0598 1.0552 0.051 Uiso 1 1 calc R . .
C8 C 0.0909(9) 0.1630(5) 0.8924(9) 0.0346(19) Uani 1 1 d . . .
C9 C 0.1114(12) 0.2500 0.9896(12) 0.036(3) Uani 1 2 d S . .
C10 C 0.2795(14) 0.2500 1.1351(12) 0.054(4) Uani 1 2 d S . .
H10A H 0.2777 0.2055 1.2090 0.081 Uiso 0.50 1 d PR . .
H10B H 0.3018 0.3114 1.1810 0.081 Uiso 0.50 1 d PR . .
H10C H 0.3653 0.2331 1.1074 0.081 Uiso 0.50 1 d PR . .
C11 C -0.0259(15) 0.2500 1.0417(14) 0.056(4) Uani 1 2 d S . .
H11A H -0.0347 0.3114 1.0778 0.085 Uiso 0.50 1 d PR . .
H11B H 0.0019 0.2055 1.1247 0.085 Uiso 0.50 1 d PR . .
H11C H -0.1306 0.2330 0.9550 0.085 Uiso 0.50 1 d PR . .
C12 C -0.1929(13) 0.2500 0.4008(13) 0.046(3) Uani 1 2 d S . .
H12A H -0.2359 0.3098 0.3538 0.069 Uiso 0.50 1 d PR . .
H12B H -0.2712 0.2018 0.3427 0.069 Uiso 0.50 1 d PR . .
H12C H -0.0886 0.2384 0.3999 0.069 Uiso 0.50 1 d PR . .
C13 C -0.3654(13) 0.2500 0.6033(16) 0.061(4) Uani 1 2 d S . .
H13A H -0.4414 0.2887 0.5191 0.091 Uiso 0.50 1 d PR . .
H13B H -0.3539 0.2742 0.7006 0.091 Uiso 0.50 1 d PR . .
H13C H -0.4078 0.1871 0.5888 0.091 Uiso 0.50 1 d PR . .
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'
Si Si 0.0817 0.0704 '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'
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
C2 W1 C3 75.2(3) . .
C2 W1 C1 76.6(3) . .
C3 W1 C1 106.8(3) . .
C2 W1 C6 83.4(3) . .
C3 W1 C6 116.6(3) . .
C1 W1 C6 125.0(3) . .
C2 W1 C5 99.9(3) . .
C3 W1 C5 150.8(3) . .
C1 W1 C5 99.8(3) . .
C6 W1 C5 34.7(3) . .
C2 W1 C4 135.8(3) . .
C3 W1 C4 141.1(3) . .
C1 W1 C4 103.9(3) . .
C6 W1 C4 59.7(3) . .
C5 W1 C4 35.9(3) . .
C2 W1 C8 138.6(3) . .
C3 W1 C8 105.8(3) . .
C1 W1 C8 137.4(3) . .
C6 W1 C8 58.7(3) . .
C5 W1 C8 58.8(3) . .
C4 W1 C8 36.5(2) . .
C2 W1 C7 103.8(3) . .
C3 W1 C7 94.7(3) . .
C1 W1 C7 157.6(3) . .
C6 W1 C7 34.9(3) . .
C5 W1 C7 57.9(3) . .
C4 W1 C7 59.8(3) . .
C8 W1 C7 35.2(3) . .
C4 Si1 C4 95.9(5) 4_565 .
C4 Si1 C13 111.7(3) 4_565 .
C4 Si1 C13 111.7(3) . .
C4 Si1 C12 114.3(3) 4_565 .
C4 Si1 C12 114.3(3) . .
C13 Si1 C12 108.6(6) . .
O1 C1 W1 171.0(7) . .
O2 C2 W1 179.3(8) . .
O3 C3 W1 169.3(7) . .
C5 C4 C8 104.5(6) . .
C5 C4 Si1 131.2(6) . .
C8 C4 Si1 124.3(6) . .
C5 C4 W1 72.0(4) . .
C8 C4 W1 71.9(4) . .
Si1 C4 W1 121.7(3) . .
C6 C5 C4 110.3(8) . .
C6 C5 W1 72.5(5) . .
C4 C5 W1 72.1(4) . .
C6 C5 H5A 124.8 . .
C4 C5 H5A 124.8 . .
W1 C5 H5A 124.8 . .
C5 C6 C7 108.5(8) . .
C5 C6 W1 72.8(5) . .
C7 C6 W1 73.6(4) . .
C5 C6 H6A 125.5 . .
C7 C6 H6A 125.5 . .
W1 C6 H6A 125.5 . .
C6 C7 C8 108.2(7) . .
C6 C7 W1 71.5(5) . .
C8 C7 W1 71.7(4) . .
C6 C7 H7A 125.8 . .
C8 C7 H7A 125.8 . .
W1 C7 H7A 125.8 . .
C7 C8 C4 108.5(7) . .
C7 C8 C9 126.8(7) . .
C4 C8 C9 124.6(7) . .
C7 C8 W1 73.2(4) . .
C4 C8 W1 71.6(4) . .
C9 C8 W1 125.0(5) . .
C8 C9 C8 110.1(8) . 4_565
C8 C9 C10 110.9(5) . .
C8 C9 C10 110.9(5) 4_565 .
C8 C9 C11 108.4(5) . .
C8 C9 C11 108.4(5) 4_565 .
C10 C9 C11 108.1(9) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.4 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si1 C12 H12A 109.5 . .
Si1 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si1 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si1 C13 H13A 109.5 . .
Si1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C2 1.955(9) .
W1 C3 1.980(9) .
W1 C1 1.983(9) .
W1 C6 2.323(8) .
W1 C5 2.327(7) .
W1 C4 2.328(6) .
W1 C8 2.331(7) .
W1 C7 2.351(7) .
Si1 C4 1.838(8) 4_565
Si1 C4 1.838(8) .
Si1 C13 1.845(11) .
Si1 C12 1.861(12) .
C1 O1 1.138(10) .
C2 O2 1.142(9) .
C3 O3 1.137(9) .
C4 C5 1.434(10) .
C4 C8 1.458(10) .
C5 C6 1.388(11) .
C5 H5A 0.9800 .
C6 C7 1.403(12) .
C6 H6A 0.9800 .
C7 C8 1.415(10) .
C7 H7A 0.9800 .
C8 C9 1.515(10) .
C9 C8 1.515(10) 4_565
C9 C10 1.519(14) .
C9 C11 1.538(13) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
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
C2 W1 C1 O1 47(5) . . . .
C3 W1 C1 O1 116(5) . . . .
C6 W1 C1 O1 -25(5) . . . .
C5 W1 C1 O1 -51(5) . . . .
C4 W1 C1 O1 -88(5) . . . .
C8 W1 C1 O1 -105(5) . . . .
C7 W1 C1 O1 -47(5) . . . .
C3 W1 C2 O2 -144(69) . . . .
C1 W1 C2 O2 -32(69) . . . .
C6 W1 C2 O2 97(69) . . . .
C5 W1 C2 O2 66(69) . . . .
C4 W1 C2 O2 65(69) . . . .
C8 W1 C2 O2 119(69) . . . .
C7 W1 C2 O2 125(69) . . . .
C2 W1 C3 O3 -48(4) . . . .
C1 W1 C3 O3 -119(4) . . . .
C6 W1 C3 O3 27(4) . . . .
C5 W1 C3 O3 36(4) . . . .
C4 W1 C3 O3 100(4) . . . .
C8 W1 C3 O3 89(4) . . . .
C7 W1 C3 O3 55(4) . . . .
C4 Si1 C4 C5 -157.7(5) 4_565 . . .
C13 Si1 C4 C5 86.1(8) . . . .
C12 Si1 C4 C5 -37.7(8) . . . .
C4 Si1 C4 C8 24.4(7) 4_565 . . .
C13 Si1 C4 C8 -91.8(6) . . . .
C12 Si1 C4 C8 144.4(6) . . . .
C4 Si1 C4 W1 -64.4(5) 4_565 . . .
C13 Si1 C4 W1 179.4(4) . . . .
C12 Si1 C4 W1 55.6(6) . . . .
C2 W1 C4 C5 2.4(7) . . . .
C3 W1 C4 C5 -131.2(5) . . . .
C1 W1 C4 C5 87.4(5) . . . .
C6 W1 C4 C5 -35.3(5) . . . .
C8 W1 C4 C5 -112.5(6) . . . .
C7 W1 C4 C5 -75.9(5) . . . .
C2 W1 C4 C8 114.9(5) . . . .
C3 W1 C4 C8 -18.7(7) . . . .
C1 W1 C4 C8 -160.1(4) . . . .
C6 W1 C4 C8 77.2(5) . . . .
C5 W1 C4 C8 112.5(6) . . . .
C7 W1 C4 C8 36.6(4) . . . .
C2 W1 C4 Si1 -125.5(5) . . . .
C3 W1 C4 Si1 101.0(6) . . . .
C1 W1 C4 Si1 -40.4(5) . . . .
C6 W1 C4 Si1 -163.1(6) . . . .
C5 W1 C4 Si1 -127.8(7) . . . .
C8 W1 C4 Si1 119.7(6) . . . .
C7 W1 C4 Si1 156.2(6) . . . .
C8 C4 C5 C6 -2.2(8) . . . .
Si1 C4 C5 C6 179.6(6) . . . .
W1 C4 C5 C6 62.9(6) . . . .
C8 C4 C5 W1 -65.1(4) . . . .
Si1 C4 C5 W1 116.7(6) . . . .
C2 W1 C5 C6 62.8(6) . . . .
C3 W1 C5 C6 -14.6(9) . . . .
C1 W1 C5 C6 140.7(6) . . . .
C4 W1 C5 C6 -118.9(8) . . . .
C8 W1 C5 C6 -79.0(6) . . . .
C7 W1 C5 C6 -37.4(5) . . . .
C2 W1 C5 C4 -178.3(5) . . . .
C3 W1 C5 C4 104.4(7) . . . .
C1 W1 C5 C4 -100.3(5) . . . .
C6 W1 C5 C4 118.9(8) . . . .
C8 W1 C5 C4 40.0(4) . . . .
C7 W1 C5 C4 81.5(5) . . . .
C4 C5 C6 C7 2.8(9) . . . .
W1 C5 C6 C7 65.4(6) . . . .
C4 C5 C6 W1 -62.6(5) . . . .
C2 W1 C6 C5 -118.2(6) . . . .
C3 W1 C6 C5 172.1(5) . . . .
C1 W1 C6 C5 -49.6(7) . . . .
C4 W1 C6 C5 36.5(5) . . . .
C8 W1 C6 C5 79.2(5) . . . .
C7 W1 C6 C5 116.0(8) . . . .
C2 W1 C6 C7 125.9(6) . . . .
C3 W1 C6 C7 56.1(6) . . . .
C1 W1 C6 C7 -165.6(5) . . . .
C5 W1 C6 C7 -116.0(8) . . . .
C4 W1 C6 C7 -79.5(5) . . . .
C8 W1 C6 C7 -36.8(5) . . . .
C5 C6 C7 C8 -2.2(9) . . . .
W1 C6 C7 C8 62.6(5) . . . .
C5 C6 C7 W1 -64.9(6) . . . .
C2 W1 C7 C6 -56.0(6) . . . .
C3 W1 C7 C6 -131.9(5) . . . .
C1 W1 C7 C6 32.3(11) . . . .
C5 W1 C7 C6 37.2(5) . . . .
C4 W1 C7 C6 79.3(5) . . . .
C8 W1 C7 C6 117.3(7) . . . .
C2 W1 C7 C8 -173.2(5) . . . .
C3 W1 C7 C8 110.9(5) . . . .
C1 W1 C7 C8 -84.9(9) . . . .
C6 W1 C7 C8 -117.3(7) . . . .
C5 W1 C7 C8 -80.1(5) . . . .
C4 W1 C7 C8 -37.9(4) . . . .
C6 C7 C8 C4 0.9(8) . . . .
W1 C7 C8 C4 63.4(5) . . . .
C6 C7 C8 C9 176.0(7) . . . .
W1 C7 C8 C9 -121.4(7) . . . .
C6 C7 C8 W1 -62.5(5) . . . .
C5 C4 C8 C7 0.8(7) . . . .
Si1 C4 C8 C7 179.1(5) . . . .
W1 C4 C8 C7 -64.4(5) . . . .
C5 C4 C8 C9 -174.5(7) . . . .
Si1 C4 C8 C9 3.8(10) . . . .
W1 C4 C8 C9 120.3(7) . . . .
C5 C4 C8 W1 65.2(4) . . . .
Si1 C4 C8 W1 -116.5(5) . . . .
C2 W1 C8 C7 10.0(7) . . . .
C3 W1 C8 C7 -75.4(5) . . . .
C1 W1 C8 C7 145.9(5) . . . .
C6 W1 C8 C7 36.5(5) . . . .
C5 W1 C8 C7 77.4(5) . . . .
C4 W1 C8 C7 116.7(6) . . . .
C2 W1 C8 C4 -106.7(5) . . . .
C3 W1 C8 C4 167.9(4) . . . .
C1 W1 C8 C4 29.2(6) . . . .
C6 W1 C8 C4 -80.2(5) . . . .
C5 W1 C8 C4 -39.3(4) . . . .
C7 W1 C8 C4 -116.7(6) . . . .
C2 W1 C8 C9 133.4(7) . . . .
C3 W1 C8 C9 48.1(7) . . . .
C1 W1 C8 C9 -90.6(7) . . . .
C6 W1 C8 C9 160.0(8) . . . .
C5 W1 C8 C9 -159.1(7) . . . .
C4 W1 C8 C9 -119.8(8) . . . .
C7 W1 C8 C9 123.5(8) . . . .
C7 C8 C9 C8 149.2(6) . . . 4_565
C4 C8 C9 C8 -36.3(11) . . . 4_565
W1 C8 C9 C8 54.5(10) . . . 4_565
C7 C8 C9 C10 26.1(11) . . . .
C4 C8 C9 C10 -159.5(7) . . . .
W1 C8 C9 C10 -68.6(8) . . . .
C7 C8 C9 C11 -92.4(9) . . . .
C4 C8 C9 C11 82.0(9) . . . .
W1 C8 C9 C11 172.9(6) . . . .
