#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:49:29 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290849 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/09/1570951.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_1570951
loop_
_publ_author_name
'Kar, Ketaki'
'Kar, Sourav'
'Ghosh, Sundargopal'
_publ_section_title
;
 Rule breaker boron clusters: a new class of hypoelectronic osmaborane
 clusters [(Cp*Os)₂BₙHₙ]
 (n = 6-10).
;
_journal_issue                   11
_journal_name_full               'Chemical science'
_journal_page_first              4179
_journal_page_last               4186
_journal_paper_doi               10.1039/d3sc06464f
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C20 H39 B9 Os2'
_chemical_formula_weight         757.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2023-08-28 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.649(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9252(10)
_cell_length_b                   14.6904(16)
_cell_length_c                   20.153(2)
_cell_measurement_reflns_used    9174
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      2.70
_cell_volume                     2605.0(5)
_computing_cell_refinement       'APEX4/SAINT V8.40B (Bruker, 2021)'
_computing_data_collection       'APEX4 (Bruker, v2021.4-0)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2021)'
_computing_publication_material  'SHELXL-2019/3 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker D8 VENTURE diffractometer with PHOTON II detector'
_diffrn_measurement_method       'ω and φ scan'
_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  0.0570
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_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            70440
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.021
_exptl_absorpt_coefficient_mu    9.753
_exptl_absorpt_correction_T_max  0.3471
_exptl_absorpt_correction_T_min  0.1376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_description       block
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.336
_exptl_crystal_size_mid          0.224
_exptl_crystal_size_min          0.084
_refine_diff_density_max         3.927
_refine_diff_density_min         -1.990
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4586
_refine_ls_number_restraints     190
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0414P)²+32.5975P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1278
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3942
_reflns_number_total             4586
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc06464f2.cif
_cod_data_source_block           OS3
_cod_depositor_comments
'Adding full bibliography for 1570947--1570951.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1570951
_shelx_shelxl_version_number     2019/3
_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_min   0.138
_shelx_estimated_absorpt_t_max   0.495
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Os1 Os 0.35350(5) 0.74204(3) 0.58179(2) 0.05530(16) Uani 1 1 d . U . . .
Os2 Os 0.40342(5) 0.63646(4) 0.70215(3) 0.06333(18) Uani 1 1 d . U . . .
C1 C 0.2613(17) 0.8477(10) 0.5073(7) 0.078(3) Uani 1 1 d . U . . .
C2 C 0.1371(15) 0.8135(10) 0.5345(7) 0.077(3) Uani 1 1 d . U . . .
C3 C 0.1190(14) 0.7188(10) 0.5156(7) 0.075(3) Uani 1 1 d . U . . .
C4 C 0.2343(16) 0.6968(11) 0.4795(7) 0.078(3) Uani 1 1 d . U . . .
C5 C 0.3190(16) 0.7747(12) 0.4729(7) 0.081(3) Uani 1 1 d . U . . .
C6 C 0.442(2) 0.7855(19) 0.4289(10) 0.152(9) Uani 1 1 d . U . . .
H6A H 0.482203 0.846146 0.433629 0.227 Uiso 1 1 calc R U . . .
H6B H 0.521802 0.742458 0.442844 0.227 Uiso 1 1 calc R U . . .
H6C H 0.398394 0.774660 0.382724 0.227 Uiso 1 1 calc R U . . .
C7 C 0.309(3) 0.9456(12) 0.5078(12) 0.142(8) Uani 1 1 d . U . . .
H7A H 0.396233 0.951499 0.486345 0.212 Uiso 1 1 calc R U . . .
H7B H 0.226797 0.981379 0.483972 0.212 Uiso 1 1 calc R U . . .
H7C H 0.332704 0.966656 0.553458 0.212 Uiso 1 1 calc R U . . .
C8 C 0.026(2) 0.8690(13) 0.5668(10) 0.121(6) Uani 1 1 d . U . . .
H8A H -0.047944 0.829179 0.581081 0.181 Uiso 1 1 calc R U . . .
H8B H 0.079580 0.901009 0.605020 0.181 Uiso 1 1 calc R U . . .
H8C H -0.024807 0.911936 0.534739 0.181 Uiso 1 1 calc R U . . .
C9 C -0.0075(17) 0.6596(13) 0.5296(10) 0.111(6) Uani 1 1 d . U . . .
H9A H -0.069839 0.692826 0.555658 0.166 Uiso 1 1 calc R U . . .
H9B H -0.067899 0.640834 0.487877 0.166 Uiso 1 1 calc R U . . .
H9C H 0.033662 0.606849 0.554331 0.166 Uiso 1 1 calc R U . . .
C10 C 0.247(2) 0.6033(15) 0.4454(11) 0.139(8) Uani 1 1 d . U . . .
H10A H 0.174604 0.561870 0.458966 0.209 Uiso 1 1 calc R U . . .
H10B H 0.226294 0.610556 0.397365 0.209 Uiso 1 1 calc R U . . .
H10C H 0.347696 0.579538 0.458628 0.209 Uiso 1 1 calc R U . . .
C11 C 0.252(2) 0.5142(13) 0.7106(8) 0.106(4) Uani 1 1 d . U . . .
C12 C 0.409(2) 0.4871(10) 0.7266(9) 0.098(3) Uani 1 1 d . U . . .
C13 C 0.4713(17) 0.5351(12) 0.7834(8) 0.090(3) Uani 1 1 d . U . . .
C14 C 0.361(2) 0.5898(11) 0.8024(7) 0.091(3) Uani 1 1 d . U . . .
C15 C 0.2291(18) 0.5780(13) 0.7587(9) 0.099(4) Uani 1 1 d . U . . .
C16 C 0.069(3) 0.613(2) 0.7626(18) 0.242(15) Uani 1 1 d . U . . .
H16A H -0.000012 0.592697 0.723646 0.363 Uiso 1 1 calc R U . . .
H16B H 0.037198 0.589363 0.802442 0.363 Uiso 1 1 calc R U . . .
H16C H 0.069886 0.678109 0.764095 0.363 Uiso 1 1 calc R U . . .
C17 C 0.383(4) 0.6483(19) 0.8679(11) 0.212(13) Uani 1 1 d . U . . .
H17A H 0.486903 0.645353 0.889591 0.319 Uiso 1 1 calc R U . . .
H17B H 0.356123 0.710419 0.856621 0.319 Uiso 1 1 calc R U . . .
H17C H 0.318413 0.625224 0.897677 0.319 Uiso 1 1 calc R U . . .
C18 C 0.631(2) 0.525(2) 0.8224(14) 0.196(12) Uani 1 1 d . U . . .
H18A H 0.687329 0.483152 0.799307 0.294 Uiso 1 1 calc R U . . .
H18B H 0.680940 0.583186 0.825776 0.294 Uiso 1 1 calc R U . . .
H18C H 0.626835 0.502275 0.866642 0.294 Uiso 1 1 calc R U . . .
C19 C 0.483(4) 0.4118(15) 0.6941(16) 0.250(15) Uani 1 1 d . U . . .
H19A H 0.414995 0.390405 0.655303 0.374 Uiso 1 1 calc R U . . .
H19B H 0.574787 0.433887 0.680546 0.374 Uiso 1 1 calc R U . . .
H19C H 0.507467 0.362744 0.725525 0.374 Uiso 1 1 calc R U . . .
C20 C 0.134(4) 0.476(2) 0.6570(12) 0.255(15) Uani 1 1 d . U . . .
H20A H 0.179747 0.433366 0.630438 0.382 Uiso 1 1 calc R U . . .
H20B H 0.057461 0.446066 0.677170 0.382 Uiso 1 1 calc R U . . .
H20C H 0.088309 0.524700 0.628626 0.382 Uiso 1 1 calc R U . . .
B1 B 0.542(3) 0.8225(16) 0.6480(13) 0.123(5) Uani 1 1 d . U . . .
H1 H 0.550233 0.897229 0.648546 0.148 Uiso 1 1 calc R U . . .
B2 B 0.589(2) 0.793(2) 0.5837(14) 0.131(6) Uani 1 1 d . U . . .
H2 H 0.622083 0.835233 0.543324 0.157 Uiso 1 1 calc R U . . .
B3 B 0.5992(19) 0.6863(19) 0.5896(13) 0.118(4) Uani 1 1 d . U . . .
H3 H 0.655593 0.659741 0.549055 0.142 Uiso 1 1 calc R U . . .
B4 B 0.6279(19) 0.6427(17) 0.6691(13) 0.115(4) Uani 1 1 d . U . . .
H4 H 0.711914 0.589321 0.686308 0.138 Uiso 1 1 calc R U . . .
B5 B 0.592(3) 0.7346(18) 0.7276(13) 0.131(5) Uani 1 1 d . U . . .
H5 H 0.643568 0.741218 0.780928 0.157 Uiso 1 1 calc R U . . .
B6 B 0.696(2) 0.7522(19) 0.6629(15) 0.145(7) Uani 1 1 d . U . . .
H6 H 0.814182 0.770091 0.683098 0.173 Uiso 1 1 calc R U . . .
B7 B 0.464(2) 0.6126(13) 0.6054(9) 0.083(3) Uani 1 1 d . U . . .
H7 H 0.422367 0.550980 0.577395 0.099 Uiso 1 1 calc R U . . .
B8 B 0.396(3) 0.7802(13) 0.6894(9) 0.098(3) Uani 1 1 d . U . . .
H8 H 0.361524 0.837464 0.718672 0.118 Uiso 1 1 calc R U . . .
B9 B 0.243(2) 0.7338(15) 0.6699(9) 0.094(4) Uani 1 1 d D U . . .
H9 H 0.135(8) 0.762(8) 0.683(7) 0.09(4) Uiso 1 1 d D . . . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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
B7 Os1 B9 91.4(7) . . ?
B7 Os1 B8 90.6(7) . . ?
B9 Os1 B8 40.4(8) . . ?
B7 Os1 C5 113.1(6) . . ?
B9 Os1 C5 144.5(6) . . ?
B8 Os1 C5 152.7(7) . . ?
B7 Os1 C1 150.4(6) . . ?
B9 Os1 C1 115.1(6) . . ?
B8 Os1 C1 118.0(7) . . ?
C5 Os1 C1 37.3(5) . . ?
B7 Os1 B2 84.0(9) . . ?
B9 Os1 B2 124.2(10) . . ?
B8 Os1 B2 83.8(10) . . ?
C5 Os1 B2 85.3(8) . . ?
C1 Os1 B2 91.1(7) . . ?
B7 Os1 C4 94.1(7) . . ?
B9 Os1 C4 121.4(7) . . ?
B8 Os1 C4 161.5(7) . . ?
C5 Os1 C4 36.2(5) . . ?
C1 Os1 C4 61.5(6) . . ?
B2 Os1 C4 114.5(9) . . ?
B7 Os1 C2 145.9(7) . . ?
B9 Os1 C2 84.1(6) . . ?
B8 Os1 C2 106.8(7) . . ?
C5 Os1 C2 61.0(5) . . ?
C1 Os1 C2 36.6(5) . . ?
B2 Os1 C2 126.0(8) . . ?
C4 Os1 C2 60.9(5) . . ?
B7 Os1 B1 93.5(9) . . ?
B9 Os1 B1 86.7(10) . . ?
B8 Os1 B1 46.4(9) . . ?
C5 Os1 B1 115.6(8) . . ?
C1 Os1 B1 100.7(7) . . ?
B2 Os1 B1 38.6(9) . . ?
C4 Os1 B1 150.7(8) . . ?
C2 Os1 B1 119.8(8) . . ?
B7 Os1 C3 109.6(7) . . ?
B9 Os1 C3 88.4(7) . . ?
B8 Os1 C3 126.3(7) . . ?
C5 Os1 C3 59.9(5) . . ?
C1 Os1 C3 61.0(5) . . ?
B2 Os1 C3 145.2(7) . . ?
C4 Os1 C3 35.5(5) . . ?
C2 Os1 C3 36.8(5) . . ?
B1 Os1 C3 156.5(8) . . ?
B7 Os1 B3 44.1(8) . . ?
B9 Os1 B3 118.6(8) . . ?
B8 Os1 B3 91.1(9) . . ?
C5 Os1 B3 96.7(7) . . ?
C1 Os1 B3 122.1(7) . . ?
B2 Os1 B3 40.4(9) . . ?
C4 Os1 B3 104.7(8) . . ?
C2 Os1 B3 157.2(7) . . ?
B1 Os1 B3 63.2(10) . . ?
C3 Os1 B3 137.8(8) . . ?
B7 Os1 Os2 48.1(5) . . ?
B9 Os1 Os2 45.8(5) . . ?
B8 Os1 Os2 47.6(5) . . ?
C5 Os1 Os2 159.4(4) . . ?
C1 Os1 Os2 160.6(4) . . ?
B2 Os1 Os2 99.0(6) . . ?
C4 Os1 Os2 126.9(4) . . ?
C2 Os1 Os2 127.7(3) . . ?
B1 Os1 Os2 77.9(6) . . ?
C3 Os1 Os2 114.1(4) . . ?
B3 Os1 Os2 74.9(6) . . ?
B9 Os2 B8 42.5(8) . . ?
B9 Os2 B7 95.5(7) . . ?
B8 Os2 B7 93.5(7) . . ?
B9 Os2 B5 94.8(10) . . ?
B8 Os2 B5 52.3(9) . . ?
B7 Os2 B5 91.0(9) . . ?
B9 Os2 B4 119.6(8) . . ?
B8 Os2 B4 86.3(9) . . ?
B7 Os2 B4 49.6(8) . . ?
B5 Os2 B4 49.5(10) . . ?
B9 Os2 C13 142.3(6) . . ?
B8 Os2 C13 139.0(7) . . ?
B7 Os2 C13 118.8(7) . . ?
B5 Os2 C13 99.4(8) . . ?
B4 Os2 C13 95.8(7) . . ?
B9 Os2 C14 106.7(7) . . ?
B8 Os2 C14 114.1(7) . . ?
B7 Os2 C14 152.3(7) . . ?
B5 Os2 C14 103.2(8) . . ?
B4 Os2 C14 125.8(8) . . ?
C13 Os2 C14 36.0(6) . . ?
B9 Os2 C15 85.5(7) . . ?
B8 Os2 C15 115.4(8) . . ?
B7 Os2 C15 134.7(8) . . ?
B5 Os2 C15 134.1(9) . . ?
B4 Os2 C15 154.9(7) . . ?
C13 Os2 C15 59.8(6) . . ?
C14 Os2 C15 35.4(6) . . ?
B9 Os2 C12 137.7(8) . . ?
B8 Os2 C12 174.2(7) . . ?
B7 Os2 C12 92.3(6) . . ?
B5 Os2 C12 126.6(9) . . ?
B4 Os2 C12 96.7(8) . . ?
C13 Os2 C12 35.9(6) . . ?
C14 Os2 C12 60.1(6) . . ?
C15 Os2 C12 60.6(6) . . ?
B9 Os2 C11 100.6(9) . . ?
B8 Os2 C11 142.0(9) . . ?
B7 Os2 C11 100.6(8) . . ?
B5 Os2 C11 159.6(8) . . ?
B4 Os2 C11 129.3(9) . . ?
C13 Os2 C11 60.4(6) . . ?
C14 Os2 C11 59.6(6) . . ?
C15 Os2 C11 35.8(7) . . ?
C12 Os2 C11 37.2(7) . . ?
B9 Os2 Os1 49.4(5) . . ?
B8 Os2 Os1 50.2(5) . . ?
B7 Os2 Os1 48.8(4) . . ?
B5 Os2 Os1 81.2(6) . . ?
B4 Os2 Os1 75.0(6) . . ?
C13 Os2 Os1 167.6(5) . . ?
C14 Os2 Os1 156.1(5) . . ?
C15 Os2 Os1 128.1(4) . . ?
C12 Os2 Os1 135.4(5) . . ?
C11 Os2 Os1 119.0(4) . . ?
C2 C1 C5 107.1(13) . . ?
C2 C1 C7 125.3(16) . . ?
C5 C1 C7 127.1(16) . . ?
C2 C1 Os1 73.4(8) . . ?
C5 C1 Os1 71.3(8) . . ?
C7 C1 Os1 126.5(12) . . ?
C1 C2 C3 107.6(12) . . ?
C1 C2 C8 126.2(15) . . ?
C3 C2 C8 125.4(14) . . ?
C1 C2 Os1 70.0(8) . . ?
C3 C2 Os1 73.4(7) . . ?
C8 C2 Os1 130.1(11) . . ?
C4 C3 C2 107.5(12) . . ?
C4 C3 C9 127.8(15) . . ?
C2 C3 C9 124.6(14) . . ?
C4 C3 Os1 70.1(8) . . ?
C2 C3 Os1 69.8(7) . . ?
C9 C3 Os1 128.2(11) . . ?
C5 C4 C3 108.6(13) . . ?
C5 C4 C10 127.3(14) . . ?
C3 C4 C10 123.5(15) . . ?
C5 C4 Os1 70.4(8) . . ?
C3 C4 Os1 74.4(8) . . ?
C10 C4 Os1 127.5(12) . . ?
C4 C5 C1 109.1(12) . . ?
C4 C5 C6 126.5(17) . . ?
C1 C5 C6 124.0(17) . . ?
C4 C5 Os1 73.4(8) . . ?
C1 C5 Os1 71.4(8) . . ?
C6 C5 Os1 127.0(12) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.5 . . ?
C3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C12 106.6(14) . . ?
C15 C11 C20 126(2) . . ?
C12 C11 C20 127(2) . . ?
C15 C11 Os2 71.2(9) . . ?
C12 C11 Os2 70.6(8) . . ?
C20 C11 Os2 126.9(13) . . ?
C13 C12 C11 106.4(14) . . ?
C13 C12 C19 127(2) . . ?
C11 C12 C19 126(2) . . ?
C13 C12 Os2 71.0(9) . . ?
C11 C12 Os2 72.2(9) . . ?
C19 C12 Os2 128.5(13) . . ?
C14 C13 C12 109.0(15) . . ?
C14 C13 C18 125(2) . . ?
C12 C13 C18 126(2) . . ?
C14 C13 Os2 72.1(9) . . ?
C12 C13 Os2 73.1(9) . . ?
C18 C13 Os2 124.3(12) . . ?
C15 C14 C13 109.2(16) . . ?
C15 C14 C17 126(2) . . ?
C13 C14 C17 125(2) . . ?
C15 C14 Os2 73.3(9) . . ?
C13 C14 Os2 71.9(9) . . ?
C17 C14 Os2 125.7(14) . . ?
C14 C15 C11 108.8(15) . . ?
C14 C15 C16 130(2) . . ?
C11 C15 C16 121(2) . . ?
C14 C15 Os2 71.3(9) . . ?
C11 C15 Os2 72.9(9) . . ?
C16 C15 Os2 129.0(13) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C12 C19 H19A 109.5 . . ?
C12 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C12 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C11 C20 H20A 109.5 . . ?
C11 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C11 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
B2 B1 B6 68.9(19) . . ?
B2 B1 B8 130.1(17) . . ?
B6 B1 B8 109.8(16) . . ?
B2 B1 B5 116(2) . . ?
B6 B1 B5 54.3(14) . . ?
B8 B1 B5 59.6(12) . . ?
B2 B1 Os1 68.4(11) . . ?
B6 B1 Os1 106.3(16) . . ?
B8 B1 Os1 64.4(8) . . ?
B5 B1 Os1 100.0(10) . . ?
B2 B1 H1 105.6 . . ?
B6 B1 H1 123.5 . . ?
B8 B1 H1 113.5 . . ?
B5 B1 H1 128.0 . . ?
Os1 B1 H1 124.2 . . ?
B1 B2 B3 104.1(19) . . ?
B1 B2 B6 61.0(17) . . ?
B3 B2 B6 65.8(16) . . ?
B1 B2 Os1 73.0(11) . . ?
B3 B2 Os1 73.0(10) . . ?
B6 B2 Os1 104.9(12) . . ?
B1 B2 H2 128.9 . . ?
B3 B2 H2 126.7 . . ?
B6 B2 H2 132.2 . . ?
Os1 B2 H2 123.0 . . ?
B2 B3 B7 128.3(16) . . ?
B2 B3 B4 116(2) . . ?
B7 B3 B4 65.2(12) . . ?
B2 B3 B6 63.4(16) . . ?
B7 B3 B6 115.7(16) . . ?
B4 B3 B6 58.0(14) . . ?
B2 B3 Os1 66.6(10) . . ?
B7 B3 Os1 62.8(8) . . ?
B4 B3 Os1 100.8(11) . . ?
B6 B3 Os1 100.2(14) . . ?
B2 B3 H3 109.0 . . ?
B7 B3 H3 110.0 . . ?
B4 B3 H3 123.3 . . ?
B6 B3 H3 124.6 . . ?
Os1 B3 H3 128.3 . . ?
B3 B4 B6 65.3(16) . . ?
B3 B4 B7 57.0(12) . . ?
B6 B4 B7 114.9(15) . . ?
B3 B4 B5 108.0(17) . . ?
B6 B4 B5 57.9(16) . . ?
B7 B4 B5 114.8(14) . . ?
B3 B4 Os2 107.3(11) . . ?
B6 B4 Os2 113.8(16) . . ?
B7 B4 Os2 63.0(7) . . ?
B5 B4 Os2 65.1(10) . . ?
B3 B4 H4 123.5 . . ?
B6 B4 H4 117.2 . . ?
B7 B4 H4 118.1 . . ?
B5 B4 H4 119.9 . . ?
Os2 B4 H4 118.6 . . ?
B6 B5 B4 57.5(15) . . ?
B6 B5 B8 102.3(15) . . ?
B4 B5 B8 104.0(13) . . ?
B6 B5 B1 52.7(13) . . ?
B4 B5 B1 90.0(15) . . ?
B8 B5 B1 53.1(11) . . ?
B6 B5 Os2 113.7(16) . . ?
B4 B5 Os2 65.4(9) . . ?
B8 B5 Os2 61.5(8) . . ?
B1 B5 Os2 99.8(10) . . ?
B6 B5 H5 122.2 . . ?
B4 B5 H5 126.7 . . ?
B8 B5 H5 124.5 . . ?
B1 B5 H5 135.3 . . ?
Os2 B5 H5 117.4 . . ?
B1 B6 B4 107.2(14) . . ?
B1 B6 B5 73.1(17) . . ?
B4 B6 B5 64.7(14) . . ?
B1 B6 B2 50.1(13) . . ?
B4 B6 B2 103.5(17) . . ?
B5 B6 B2 116.3(17) . . ?
B1 B6 B3 85.6(14) . . ?
B4 B6 B3 56.7(14) . . ?
B5 B6 B3 106.7(14) . . ?
B2 B6 B3 50.8(14) . . ?
B1 B6 H6 128.1 . . ?
B4 B6 H6 121.4 . . ?
B5 B6 H6 110.9 . . ?
B2 B6 H6 125.1 . . ?
B3 B6 H6 135.2 . . ?
B3 B7 B4 57.8(12) . . ?
B3 B7 Os2 111.5(14) . . ?
B4 B7 Os2 67.5(9) . . ?
B3 B7 Os1 73.1(10) . . ?
B4 B7 Os1 103.0(12) . . ?
Os2 B7 Os1 83.1(6) . . ?
B3 B7 H7 128.5 . . ?
B4 B7 H7 136.3 . . ?
Os2 B7 H7 119.1 . . ?
Os1 B7 H7 120.5 . . ?
B9 B8 B1 137.4(16) . . ?
B9 B8 B5 132.2(16) . . ?
B1 B8 B5 67.4(13) . . ?
B9 B8 Os2 66.1(10) . . ?
B1 B8 Os2 113.2(14) . . ?
B5 B8 Os2 66.1(9) . . ?
B9 B8 Os1 68.5(10) . . ?
B1 B8 Os1 69.2(10) . . ?
B5 B8 Os1 107.5(13) . . ?
Os2 B8 Os1 82.2(7) . . ?
B9 B8 H8 99.5 . . ?
B1 B8 H8 106.0 . . ?
B5 B8 H8 111.7 . . ?
Os2 B8 H8 134.5 . . ?
Os1 B8 H8 134.7 . . ?
B8 B9 Os2 71.4(11) . . ?
B8 B9 Os1 71.0(10) . . ?
Os2 B9 Os1 84.8(7) . . ?
B8 B9 H9 123(7) . . ?
Os2 B9 H9 140(7) . . ?
Os1 B9 H9 134(7) . . ?
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
Os1 B7 2.159(17) . ?
Os1 B9 2.175(17) . ?
Os1 B8 2.210(19) . ?
Os1 C5 2.218(13) . ?
Os1 C1 2.218(13) . ?
Os1 B2 2.229(18) . ?
Os1 C4 2.256(14) . ?
Os1 C2 2.263(13) . ?
Os1 B1 2.293(19) . ?
Os1 C3 2.311(13) . ?
Os1 B3 2.321(18) . ?
Os1 Os2 2.8505(7) . ?
Os2 B9 2.051(18) . ?
Os2 B8 2.13(2) . ?
Os2 B7 2.138(17) . ?
Os2 B5 2.212(19) . ?
Os2 B4 2.217(18) . ?
Os2 C13 2.221(14) . ?
Os2 C14 2.224(15) . ?
Os2 C15 2.248(14) . ?
Os2 C12 2.248(15) . ?
Os2 C11 2.269(15) . ?
C1 C2 1.408(19) . ?
C1 C5 1.42(2) . ?
C1 C7 1.50(2) . ?
C2 C3 1.44(2) . ?
C2 C8 1.514(19) . ?
C3 C4 1.395(18) . ?
C3 C9 1.490(19) . ?
C4 C5 1.39(2) . ?
C4 C10 1.55(2) . ?
C5 C6 1.528(19) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C15 1.39(3) . ?
C11 C12 1.44(2) . ?
C11 C20 1.49(2) . ?
C12 C13 1.38(2) . ?
C12 C19 1.49(2) . ?
C13 C14 1.37(2) . ?
C13 C18 1.52(2) . ?
C14 C15 1.36(2) . ?
C14 C17 1.56(3) . ?
C15 C16 1.53(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
B1 B2 1.49(4) . ?
B1 B6 1.70(4) . ?
B1 B8 1.77(3) . ?
B1 B5 2.05(3) . ?
B1 H1 1.1000 . ?
B2 B3 1.57(4) . ?
B2 B6 1.82(3) . ?
B2 H2 1.1000 . ?
B3 B7 1.69(3) . ?
B3 B4 1.70(3) . ?
B3 B6 1.85(4) . ?
B3 H3 1.1000 . ?
B4 B6 1.73(3) . ?
B4 B7 1.83(3) . ?
B4 B5 1.86(4) . ?
B4 H4 1.1000 . ?
B5 B6 1.74(4) . ?
B5 B8 1.91(3) . ?
B5 H5 1.1000 . ?
B6 H6 1.1000 . ?
B7 H7 1.1000 . ?
B8 B9 1.52(3) . ?
B8 H8 1.1000 . ?
B9 H9 1.11(2) . ?
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
C5 C1 C2 C3 -0.5(16) . . . . ?
C7 C1 C2 C3 172.4(15) . . . . ?
Os1 C1 C2 C3 -64.3(10) . . . . ?
C5 C1 C2 C8 -170.6(15) . . . . ?
C7 C1 C2 C8 2(3) . . . . ?
Os1 C1 C2 C8 125.6(16) . . . . ?
C5 C1 C2 Os1 63.8(10) . . . . ?
C7 C1 C2 Os1 -123.4(16) . . . . ?
C1 C2 C3 C4 1.8(16) . . . . ?
C8 C2 C3 C4 172.1(15) . . . . ?
Os1 C2 C3 C4 -60.2(10) . . . . ?
C1 C2 C3 C9 -174.8(14) . . . . ?
C8 C2 C3 C9 -5(2) . . . . ?
Os1 C2 C3 C9 123.2(15) . . . . ?
C1 C2 C3 Os1 62.0(10) . . . . ?
C8 C2 C3 Os1 -127.7(15) . . . . ?
C2 C3 C4 C5 -2.5(16) . . . . ?
C9 C3 C4 C5 174.0(15) . . . . ?
Os1 C3 C4 C5 -62.5(10) . . . . ?
C2 C3 C4 C10 -175.0(15) . . . . ?
C9 C3 C4 C10 2(3) . . . . ?
Os1 C3 C4 C10 125.0(16) . . . . ?
C2 C3 C4 Os1 60.0(10) . . . . ?
C9 C3 C4 Os1 -123.5(16) . . . . ?
C3 C4 C5 C1 2.2(17) . . . . ?
C10 C4 C5 C1 174.3(16) . . . . ?
Os1 C4 C5 C1 -62.9(10) . . . . ?
C3 C4 C5 C6 -170.8(15) . . . . ?
C10 C4 C5 C6 1(3) . . . . ?
Os1 C4 C5 C6 124.1(17) . . . . ?
C3 C4 C5 Os1 65.1(10) . . . . ?
C10 C4 C5 Os1 -122.8(17) . . . . ?
C2 C1 C5 C4 -1.0(17) . . . . ?
C7 C1 C5 C4 -173.7(15) . . . . ?
Os1 C1 C5 C4 64.2(10) . . . . ?
C2 C1 C5 C6 172.2(15) . . . . ?
C7 C1 C5 C6 0(3) . . . . ?
Os1 C1 C5 C6 -122.6(16) . . . . ?
C2 C1 C5 Os1 -65.2(10) . . . . ?
C7 C1 C5 Os1 122.1(16) . . . . ?
C15 C11 C12 C13 0.6(18) . . . . ?
C20 C11 C12 C13 -174.8(17) . . . . ?
Os2 C11 C12 C13 63.2(11) . . . . ?
C15 C11 C12 C19 172.3(17) . . . . ?
C20 C11 C12 C19 -3(3) . . . . ?
Os2 C11 C12 C19 -125.2(18) . . . . ?
C15 C11 C12 Os2 -62.6(11) . . . . ?
C20 C11 C12 Os2 122.1(18) . . . . ?
C11 C12 C13 C14 -0.3(18) . . . . ?
C19 C12 C13 C14 -172.0(17) . . . . ?
Os2 C12 C13 C14 63.6(11) . . . . ?
C11 C12 C13 C18 175.5(16) . . . . ?
C19 C12 C13 C18 4(3) . . . . ?
Os2 C12 C13 C18 -120.5(17) . . . . ?
C11 C12 C13 Os2 -64.0(11) . . . . ?
C19 C12 C13 Os2 124.4(18) . . . . ?
C12 C13 C14 C15 0.0(19) . . . . ?
C18 C13 C14 C15 -175.9(16) . . . . ?
Os2 C13 C14 C15 64.2(12) . . . . ?
C12 C13 C14 C17 174.4(18) . . . . ?
C18 C13 C14 C17 -2(3) . . . . ?
Os2 C13 C14 C17 -121.3(19) . . . . ?
C12 C13 C14 Os2 -64.3(11) . . . . ?
C18 C13 C14 Os2 119.8(17) . . . . ?
C13 C14 C15 C11 0.4(19) . . . . ?
C17 C14 C15 C11 -173.9(18) . . . . ?
Os2 C14 C15 C11 63.8(11) . . . . ?
C13 C14 C15 C16 170.9(19) . . . . ?
C17 C14 C15 C16 -3(3) . . . . ?
Os2 C14 C15 C16 -126(2) . . . . ?
C13 C14 C15 Os2 -63.4(12) . . . . ?
C17 C14 C15 Os2 122.3(19) . . . . ?
C12 C11 C15 C14 -0.6(18) . . . . ?
C20 C11 C15 C14 174.8(17) . . . . ?
Os2 C11 C15 C14 -62.8(12) . . . . ?
C12 C11 C15 C16 -172.1(16) . . . . ?
C20 C11 C15 C16 3(3) . . . . ?
Os2 C11 C15 C16 125.7(16) . . . . ?
C12 C11 C15 Os2 62.2(10) . . . . ?
C20 C11 C15 Os2 -122.4(18) . . . . ?
B6 B1 B2 B3 51.5(15) . . . . ?
B8 B1 B2 B3 -47(3) . . . . ?
B5 B1 B2 B3 24(2) . . . . ?
Os1 B1 B2 B3 -66.9(12) . . . . ?
B8 B1 B2 B6 -99(2) . . . . ?
B5 B1 B2 B6 -27.6(14) . . . . ?
Os1 B1 B2 B6 -118.4(12) . . . . ?
B6 B1 B2 Os1 118.4(12) . . . . ?
B8 B1 B2 Os1 20(2) . . . . ?
B5 B1 B2 Os1 90.8(13) . . . . ?
B1 B2 B3 B7 54(3) . . . . ?
B6 B2 B3 B7 103(2) . . . . ?
Os1 B2 B3 B7 -13(2) . . . . ?
B1 B2 B3 B4 -24(2) . . . . ?
B6 B2 B3 B4 24.8(16) . . . . ?
Os1 B2 B3 B4 -90.8(13) . . . . ?
B1 B2 B3 B6 -48.6(16) . . . . ?
Os1 B2 B3 B6 -115.6(13) . . . . ?
B1 B2 B3 Os1 67.0(13) . . . . ?
B6 B2 B3 Os1 115.6(13) . . . . ?
B2 B3 B4 B6 -26.2(17) . . . . ?
B7 B3 B4 B6 -148.5(17) . . . . ?
Os1 B3 B4 B6 -95.4(15) . . . . ?
B2 B3 B4 B7 122.2(17) . . . . ?
B6 B3 B4 B7 148.5(17) . . . . ?
Os1 B3 B4 B7 53.1(10) . . . . ?
B2 B3 B4 B5 13.9(19) . . . . ?
B7 B3 B4 B5 -108.4(14) . . . . ?
B6 B3 B4 B5 40.1(15) . . . . ?
Os1 B3 B4 B5 -55.3(15) . . . . ?
B2 B3 B4 Os2 82.6(17) . . . . ?
B7 B3 B4 Os2 -39.6(13) . . . . ?
B6 B3 B4 Os2 108.8(17) . . . . ?
Os1 B3 B4 Os2 13.5(17) . . . . ?
B3 B4 B5 B6 -43.7(14) . . . . ?
B7 B4 B5 B6 -104.9(17) . . . . ?
Os2 B4 B5 B6 -144.9(13) . . . . ?
B3 B4 B5 B8 52.1(16) . . . . ?
B6 B4 B5 B8 95.8(15) . . . . ?
B7 B4 B5 B8 -9.2(19) . . . . ?
Os2 B4 B5 B8 -49.1(10) . . . . ?
B3 B4 B5 B1 0.3(15) . . . . ?
B6 B4 B5 B1 44.0(12) . . . . ?
B7 B4 B5 B1 -60.9(16) . . . . ?
Os2 B4 B5 B1 -100.9(10) . . . . ?
B3 B4 B5 Os2 101.2(12) . . . . ?
B6 B4 B5 Os2 144.9(13) . . . . ?
B7 B4 B5 Os2 39.9(12) . . . . ?
B2 B1 B6 B4 -93(2) . . . . ?
B8 B1 B6 B4 33(3) . . . . ?
B5 B1 B6 B4 55.8(16) . . . . ?
Os1 B1 B6 B4 -35(2) . . . . ?
B2 B1 B6 B5 -149.2(17) . . . . ?
B8 B1 B6 B5 -22.7(17) . . . . ?
Os1 B1 B6 B5 -90.8(14) . . . . ?
B8 B1 B6 B2 126.5(19) . . . . ?
B5 B1 B6 B2 149.2(17) . . . . ?
Os1 B1 B6 B2 58.4(13) . . . . ?
B2 B1 B6 B3 -40.3(14) . . . . ?
B8 B1 B6 B3 86.2(17) . . . . ?
B5 B1 B6 B3 108.9(14) . . . . ?
Os1 B1 B6 B3 18.1(15) . . . . ?
B3 B4 B6 B1 72.6(18) . . . . ?
B7 B4 B6 B1 44(3) . . . . ?
B5 B4 B6 B1 -61(2) . . . . ?
Os2 B4 B6 B1 -26(2) . . . . ?
B3 B4 B6 B5 133.7(15) . . . . ?
B7 B4 B6 B5 104.7(17) . . . . ?
Os2 B4 B6 B5 34.8(14) . . . . ?
B3 B4 B6 B2 20.7(16) . . . . ?
B7 B4 B6 B2 -8(3) . . . . ?
B5 B4 B6 B2 -113(2) . . . . ?
Os2 B4 B6 B2 -78(2) . . . . ?
B7 B4 B6 B3 -28.9(16) . . . . ?
B5 B4 B6 B3 -133.7(15) . . . . ?
Os2 B4 B6 B3 -98.9(15) . . . . ?
B4 B5 B6 B1 119.1(15) . . . . ?
B8 B5 B6 B1 20.2(15) . . . . ?
Os2 B5 B6 B1 84.2(16) . . . . ?
B8 B5 B6 B4 -98.9(14) . . . . ?
B1 B5 B6 B4 -119.1(15) . . . . ?
Os2 B5 B6 B4 -34.9(14) . . . . ?
B4 B5 B6 B2 93(2) . . . . ?
B8 B5 B6 B2 -6(3) . . . . ?
B1 B5 B6 B2 -26.0(17) . . . . ?
Os2 B5 B6 B2 58(3) . . . . ?
B4 B5 B6 B3 39.1(15) . . . . ?
B8 B5 B6 B3 -60(2) . . . . ?
B1 B5 B6 B3 -80.0(15) . . . . ?
Os2 B5 B6 B3 4(2) . . . . ?
B3 B2 B6 B1 -123.7(16) . . . . ?
Os1 B2 B6 B1 -60.5(14) . . . . ?
B1 B2 B6 B4 101.3(19) . . . . ?
B3 B2 B6 B4 -22.4(17) . . . . ?
Os1 B2 B6 B4 41(2) . . . . ?
B1 B2 B6 B5 33(2) . . . . ?
B3 B2 B6 B5 -91(2) . . . . ?
Os1 B2 B6 B5 -27(3) . . . . ?
B1 B2 B6 B3 123.7(16) . . . . ?
Os1 B2 B6 B3 63.2(13) . . . . ?
B2 B3 B6 B1 39.8(13) . . . . ?
B7 B3 B6 B1 -82.1(18) . . . . ?
B4 B3 B6 B1 -113.9(16) . . . . ?
Os1 B3 B6 B1 -17.4(14) . . . . ?
B2 B3 B6 B4 153.7(18) . . . . ?
B7 B3 B6 B4 31.8(16) . . . . ?
Os1 B3 B6 B4 96.5(12) . . . . ?
B2 B3 B6 B5 111(2) . . . . ?
B7 B3 B6 B5 -11(2) . . . . ?
B4 B3 B6 B5 -43.0(16) . . . . ?
Os1 B3 B6 B5 53.4(18) . . . . ?
B7 B3 B6 B2 -121.9(19) . . . . ?
B4 B3 B6 B2 -153.7(18) . . . . ?
Os1 B3 B6 B2 -57.3(12) . . . . ?
B2 B3 B7 B4 -105(3) . . . . ?
B6 B3 B7 B4 -29.5(16) . . . . ?
Os1 B3 B7 B4 -118.0(13) . . . . ?
B2 B3 B7 Os2 -62(3) . . . . ?
B4 B3 B7 Os2 42.8(13) . . . . ?
B6 B3 B7 Os2 13.2(19) . . . . ?
Os1 B3 B7 Os2 -75.2(8) . . . . ?
B2 B3 B7 Os1 13(2) . . . . ?
B4 B3 B7 Os1 118.0(13) . . . . ?
B6 B3 B7 Os1 88.5(16) . . . . ?
B6 B4 B7 B3 31.6(19) . . . . ?
B5 B4 B7 B3 96.0(18) . . . . ?
Os2 B4 B7 B3 136.8(14) . . . . ?
B3 B4 B7 Os2 -136.8(14) . . . . ?
B6 B4 B7 Os2 -105.3(19) . . . . ?
B5 B4 B7 Os2 -40.8(12) . . . . ?
B3 B4 B7 Os1 -60.1(13) . . . . ?
B6 B4 B7 Os1 -29(2) . . . . ?
B5 B4 B7 Os1 35.9(16) . . . . ?
Os2 B4 B7 Os1 76.7(7) . . . . ?
B2 B1 B8 B9 -28(4) . . . . ?
B6 B1 B8 B9 -107(3) . . . . ?
B5 B1 B8 B9 -128(3) . . . . ?
Os1 B1 B8 B9 -8(2) . . . . ?
B2 B1 B8 B5 100(3) . . . . ?
B6 B1 B8 B5 21.3(18) . . . . ?
Os1 B1 B8 B5 120.4(12) . . . . ?
B2 B1 B8 Os2 51(3) . . . . ?
B6 B1 B8 Os2 -28(2) . . . . ?
B5 B1 B8 Os2 -49.1(13) . . . . ?
Os1 B1 B8 Os2 71.3(9) . . . . ?
B2 B1 B8 Os1 -20(2) . . . . ?
B6 B1 B8 Os1 -99.1(18) . . . . ?
B5 B1 B8 Os1 -120.4(12) . . . . ?
B1 B8 B9 Os2 99(2) . . . . ?
B5 B8 B9 Os2 -4(2) . . . . ?
Os1 B8 B9 Os2 90.8(6) . . . . ?
B1 B8 B9 Os1 8(2) . . . . ?
B5 B8 B9 Os1 -95(2) . . . . ?
Os2 B8 B9 Os1 -90.8(6) . . . . ?
