# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_OS
_database_code_depnum_ccdc_archive 'CCDC 2291109'
loop_
_audit_author_name
_audit_author_address
'Dr. P. K. SUDHADEVI ANTHARJANAM'
;SAIF, Indian Institute of Technology Madras
India
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H36 B6 Os2'
_chemical_formula_sum            'C20 H36 B6 Os2'
_chemical_formula_weight         721.75

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'
Os Os -1.2165 7.6030 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.5352(2)
_cell_length_b                   14.7848(4)
_cell_length_c                   20.0361(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.8940(10)
_cell_angle_gamma                90
_cell_volume                     2474.10(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)

_cell_measurement_reflns_used    9694
_cell_measurement_theta_min      2.76
_cell_measurement_theta_max      29.52
_exptl_crystal_description       block
_exptl_crystal_colour            brown

_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_F_000             1352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.242
_exptl_crystal_size_mid          0.144
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    10.265
_shelx_estimated_absorpt_T_min   0.190
_shelx_estimated_absorpt_T_max   0.534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1937
_exptl_absorpt_correction_T_max  0.3964
_exptl_absorpt_process_details   'SADABS (BRUKER, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
'Bruker D8 VENTURE diffractometer with PHOTON II detector'
_diffrn_measurement_method       'ω and φ scan'


_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            67475
_diffrn_reflns_av_unetI/netI     0.0140
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.174
_diffrn_reflns_theta_max         29.577
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6944
_reflns_number_gt                5957
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0124P)²+12.2722P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6944
_refine_ls_number_parameters     260
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0304
_refine_ls_wR_factor_ref         0.0665
_refine_ls_wR_factor_gt          0.0588
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.27074(2) 0.38614(2) 0.71135(2) 0.04200(6) Uani 1 1 d . . . . .
Os2 Os 0.22213(2) 0.27987(2) 0.59512(2) 0.04068(5) Uani 1 1 d . . . . .
C1 C 0.2400(9) 0.1600(5) 0.5290(3) 0.0661(17) Uani 1 1 d . . . . .
C2 C 0.1385(8) 0.2268(6) 0.4894(3) 0.074(2) Uani 1 1 d . . . . .
C3 C 0.2354(9) 0.3036(5) 0.4842(3) 0.0643(16) Uani 1 1 d . . . . .
C4 C 0.3910(8) 0.2857(5) 0.5196(3) 0.0585(14) Uani 1 1 d . . . . .
C5 C 0.3955(8) 0.1977(5) 0.5471(3) 0.0588(15) Uani 1 1 d . . . . .
C6 C 0.5439(11) 0.1473(7) 0.5813(4) 0.108(3) Uani 1 1 d . . . . .
H6A H 0.514403 0.088777 0.595436 0.162 Uiso 1 1 calc R U . . .
H6B H 0.613801 0.140234 0.549726 0.162 Uiso 1 1 calc R U . . .
H6C H 0.597942 0.180691 0.620354 0.162 Uiso 1 1 calc R U . . .
C7 C 0.1943(16) 0.0653(6) 0.5453(5) 0.136(5) Uani 1 1 d . . . . .
H7A H 0.082100 0.056108 0.527531 0.204 Uiso 1 1 calc R U . . .
H7B H 0.254950 0.022501 0.524944 0.204 Uiso 1 1 calc R U . . .
H7C H 0.216742 0.056909 0.593864 0.204 Uiso 1 1 calc R U . . .
C8 C -0.0333(10) 0.2114(10) 0.4548(5) 0.146(5) Uani 1 1 d . . . . .
H8A H -0.067597 0.153325 0.467868 0.219 Uiso 1 1 calc R U . . .
H8B H -0.099111 0.257763 0.468292 0.219 Uiso 1 1 calc R U . . .
H8C H -0.042829 0.213115 0.406256 0.219 Uiso 1 1 calc R U . . .
C9 C 0.1804(14) 0.3858(7) 0.4406(4) 0.126(4) Uani 1 1 d . . . . .
H9A H 0.067644 0.381249 0.422025 0.189 Uiso 1 1 calc R U . . .
H9B H 0.201365 0.439407 0.468016 0.189 Uiso 1 1 calc R U . . .
H9C H 0.237393 0.388947 0.404023 0.189 Uiso 1 1 calc R U . . .
C10 C 0.5341(10) 0.3463(7) 0.5225(5) 0.104(3) Uani 1 1 d . . . . .
H10A H 0.626800 0.318573 0.550270 0.156 Uiso 1 1 calc R U . . .
H10B H 0.552121 0.355411 0.477276 0.156 Uiso 1 1 calc R U . . .
H10C H 0.514640 0.403570 0.541918 0.156 Uiso 1 1 calc R U . . .
C11 C 0.2860(8) 0.5302(4) 0.7493(3) 0.0639(16) Uani 1 1 d . . . . .
C12 C 0.2811(9) 0.4730(5) 0.8036(3) 0.0666(17) Uani 1 1 d . . . . .
C13 C 0.4145(9) 0.4192(5) 0.8153(3) 0.0694(18) Uani 1 1 d . . . . .
C14 C 0.5100(8) 0.4411(6) 0.7686(4) 0.082(2) Uani 1 1 d . . . . .
C15 C 0.4267(10) 0.5126(5) 0.7252(3) 0.078(2) Uani 1 1 d . . . . .
C16 C 0.4871(18) 0.5639(9) 0.6719(5) 0.196(8) Uani 1 1 d . . . . .
H16A H 0.585649 0.537486 0.665436 0.295 Uiso 1 1 calc R U . . .
H16B H 0.409344 0.561624 0.629866 0.295 Uiso 1 1 calc R U . . .
H16C H 0.505455 0.625728 0.686046 0.295 Uiso 1 1 calc R U . . .
C17 C 0.1692(15) 0.6046(6) 0.7238(6) 0.143(5) Uani 1 1 d . . . . .
H17A H 0.199403 0.634013 0.685673 0.215 Uiso 1 1 calc R U . . .
H17B H 0.063712 0.579552 0.709920 0.215 Uiso 1 1 calc R U . . .
H17C H 0.169684 0.647805 0.759646 0.215 Uiso 1 1 calc R U . . .
C18 C 0.1551(12) 0.4760(8) 0.8474(5) 0.121(4) Uani 1 1 d . . . . .
H18A H 0.073724 0.519046 0.828554 0.182 Uiso 1 1 calc R U . . .
H18B H 0.107764 0.417230 0.848154 0.182 Uiso 1 1 calc R U . . .
H18C H 0.204384 0.493640 0.892978 0.182 Uiso 1 1 calc R U . . .
C19 C 0.4594(18) 0.3511(8) 0.8737(5) 0.163(6) Uani 1 1 d . . . . .
H19A H 0.558240 0.321929 0.870774 0.244 Uiso 1 1 calc R U . . .
H19B H 0.471904 0.382169 0.916587 0.244 Uiso 1 1 calc R U . . .
H19C H 0.376341 0.306596 0.870444 0.244 Uiso 1 1 calc R U . . .
C20 C 0.6757(10) 0.4051(10) 0.7679(8) 0.192(8) Uani 1 1 d . . . . .
H20A H 0.713730 0.431199 0.730365 0.288 Uiso 1 1 calc R U . . .
H20B H 0.747164 0.420700 0.809901 0.288 Uiso 1 1 calc R U . . .
H20C H 0.671246 0.340467 0.763045 0.288 Uiso 1 1 calc R U . . .
B1 B 0.0571(10) 0.3142(6) 0.7169(5) 0.076(2) Uani 1 1 d . . . . .
H1 H -0.005115 0.321715 0.759471 0.091 Uiso 1 1 calc R U . . .
B2 B 0.0383(11) 0.3654(7) 0.6364(6) 0.094(3) Uani 1 1 d . . . . .
H2 H -0.072539 0.403310 0.616618 0.113 Uiso 1 1 calc R U . . .
B3 B 0.0215(10) 0.2513(6) 0.6417(5) 0.078(2) Uani 1 1 d . . . . .
H3 H -0.075869 0.204894 0.619266 0.094 Uiso 1 1 calc R U . . .
B4 B 0.3838(10) 0.2718(6) 0.6869(4) 0.075(3) Uani 1 1 d . . . . .
B6 B 0.1952(13) 0.2365(8) 0.6990(6) 0.097(3) Uani 1 1 d . . . . .
H6 H 0.207369 0.172767 0.727857 0.116 Uiso 1 1 calc R U . . .
B5 B 0.2000(12) 0.4185(5) 0.6096(4) 0.071(2) Uani 1 1 d . . . . .
H5 H 0.198(8) 0.487(5) 0.582(3) 0.085 Uiso 1 1 d . U . . .
H4 H 0.492(9) 0.238(5) 0.703(4) 0.08(2) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 B4 2.055(8) . ?
Os1 B5 2.060(7) . ?
Os1 B1 2.134(8) . ?
Os1 C12 2.238(6) . ?
Os1 C13 2.243(6) . ?
Os1 B2 2.249(9) . ?
Os1 C11 2.256(6) . ?
Os1 C14 2.276(6) . ?
Os1 C15 2.279(6) . ?
Os1 B6 2.303(12) . ?
Os1 Os2 2.7688(3) . ?
Os2 B4 2.062(7) . ?
Os2 B5 2.084(8) . ?
Os2 B3 2.155(8) . ?
Os2 B6 2.234(11) . ?
Os2 C2 2.234(6) . ?
Os2 C1 2.237(6) . ?
Os2 C5 2.275(6) . ?
Os2 C3 2.276(6) . ?
Os2 C4 2.296(6) . ?
Os2 B2 2.298(12) . ?
C1 C5 1.416(9) . ?
C1 C2 1.439(10) . ?
C1 C7 1.508(10) . ?
C2 C3 1.421(10) . ?
C2 C8 1.504(10) . ?
C3 C4 1.396(9) . ?
C3 C9 1.515(10) . ?
C4 C5 1.410(9) . ?
C4 C10 1.507(9) . ?
C5 C6 1.507(9) . ?
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 C12 1.386(9) . ?
C11 C15 1.407(10) . ?
C11 C17 1.502(10) . ?
C12 C13 1.369(10) . ?
C12 C18 1.521(10) . ?
C13 C14 1.399(11) . ?
C13 C19 1.531(11) . ?
C14 C15 1.458(11) . ?
C14 C20 1.514(11) . ?
C15 C16 1.486(10) . ?
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 B6 1.735(14) . ?
B1 B3 1.742(13) . ?
B1 B2 1.759(14) . ?
B1 H1 1.1000 . ?
B2 B3 1.699(14) . ?
B2 B5 1.765(14) . ?
B2 H2 1.1000 . ?
B3 B6 1.691(14) . ?
B3 H3 1.1000 . ?
B4 B6 1.755(14) . ?
B4 H4 1.04(7) . ?
B6 H6 1.1000 . ?
B5 H5 1.15(7) . ?

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
B4 Os1 B5 90.7(3) . . ?
B4 Os1 B1 92.9(4) . . ?
B5 Os1 B1 95.0(4) . . ?
B4 Os1 C12 136.8(3) . . ?
B5 Os1 C12 129.6(3) . . ?
B1 Os1 C12 97.6(3) . . ?
B4 Os1 C13 101.9(3) . . ?
B5 Os1 C13 149.5(3) . . ?
B1 Os1 C13 111.7(3) . . ?
C12 Os1 C13 35.6(3) . . ?
B4 Os1 B2 97.0(4) . . ?
B5 Os1 B2 48.1(4) . . ?
B1 Os1 B2 47.2(4) . . ?
C12 Os1 B2 120.6(4) . . ?
C13 Os1 B2 152.7(4) . . ?
B4 Os1 C11 149.2(3) . . ?
B5 Os1 C11 95.7(3) . . ?
B1 Os1 C11 116.4(3) . . ?
C12 Os1 C11 35.9(2) . . ?
C13 Os1 C11 59.9(2) . . ?
B2 Os1 C11 109.6(3) . . ?
B4 Os1 C14 89.8(3) . . ?
B5 Os1 C14 117.8(4) . . ?
B1 Os1 C14 147.1(4) . . ?
C12 Os1 C14 60.0(3) . . ?
C13 Os1 C14 36.1(3) . . ?
B2 Os1 C14 164.1(4) . . ?
C11 Os1 C14 60.6(3) . . ?
B4 Os1 C15 114.4(4) . . ?
B5 Os1 C15 88.6(3) . . ?
B1 Os1 C15 152.5(3) . . ?
C12 Os1 C15 60.4(2) . . ?
C13 Os1 C15 60.9(3) . . ?
B2 Os1 C15 127.3(4) . . ?
C11 Os1 C15 36.1(3) . . ?
C14 Os1 C15 37.3(3) . . ?
B4 Os1 B6 47.1(4) . . ?
B5 Os1 B6 95.6(3) . . ?
B1 Os1 B6 45.8(4) . . ?
C12 Os1 B6 127.1(3) . . ?
C13 Os1 B6 113.4(3) . . ?
B2 Os1 B6 67.0(4) . . ?
C11 Os1 B6 159.8(3) . . ?
C14 Os1 B6 126.8(4) . . ?
C15 Os1 B6 160.9(4) . . ?
B4 Os1 Os2 47.9(2) . . ?
B5 Os1 Os2 48.5(2) . . ?
B1 Os1 Os2 77.2(3) . . ?
C12 Os1 Os2 173.79(19) . . ?
C13 Os1 Os2 149.7(2) . . ?
B2 Os1 Os2 53.3(3) . . ?
C11 Os1 Os2 143.83(17) . . ?
C14 Os1 Os2 126.15(18) . . ?
C15 Os1 Os2 123.43(16) . . ?
B6 Os1 Os2 51.3(3) . . ?
B4 Os2 B5 89.8(3) . . ?
B4 Os2 B3 92.7(4) . . ?
B5 Os2 B3 91.7(4) . . ?
B4 Os2 B6 48.0(4) . . ?
B5 Os2 B6 97.0(4) . . ?
B3 Os2 B6 45.3(4) . . ?
B4 Os2 C2 148.2(3) . . ?
B5 Os2 C2 117.2(3) . . ?
B3 Os2 C2 102.4(3) . . ?
B6 Os2 C2 135.1(4) . . ?
B4 Os2 C1 111.6(3) . . ?
B5 Os2 C1 151.7(3) . . ?
B3 Os2 C1 105.0(3) . . ?
B6 Os2 C1 111.0(4) . . ?
C2 Os2 C1 37.6(3) . . ?
B4 Os2 C5 88.4(3) . . ?
B5 Os2 C5 132.0(3) . . ?
B3 Os2 C5 136.3(3) . . ?
B6 Os2 C5 116.2(3) . . ?
C2 Os2 C5 61.3(2) . . ?
C1 Os2 C5 36.6(2) . . ?
B4 Os2 C3 136.1(3) . . ?
B5 Os2 C3 90.5(3) . . ?
B3 Os2 C3 131.1(3) . . ?
B6 Os2 C3 171.6(4) . . ?
C2 Os2 C3 36.7(3) . . ?
C1 Os2 C3 61.3(2) . . ?
C5 Os2 C3 60.1(2) . . ?
B4 Os2 C4 101.2(3) . . ?
B5 Os2 C4 98.2(3) . . ?
B3 Os2 C4 162.9(3) . . ?
B6 Os2 C4 145.4(3) . . ?
C2 Os2 C4 60.6(2) . . ?
C1 Os2 C4 60.7(2) . . ?
C5 Os2 C4 35.9(2) . . ?
C3 Os2 C4 35.6(2) . . ?
B4 Os2 B2 95.3(3) . . ?
B5 Os2 B2 47.2(4) . . ?
B3 Os2 B2 44.7(4) . . ?
B6 Os2 B2 67.3(4) . . ?
C2 Os2 B2 115.2(3) . . ?
C1 Os2 B2 141.6(3) . . ?
C5 Os2 B2 176.2(3) . . ?
C3 Os2 B2 116.2(3) . . ?
C4 Os2 B2 141.6(3) . . ?
B4 Os2 Os1 47.6(2) . . ?
B5 Os2 Os1 47.7(2) . . ?
B3 Os2 Os1 75.0(2) . . ?
B6 Os2 Os1 53.5(3) . . ?
C2 Os2 Os1 163.8(2) . . ?
C1 Os2 Os1 158.65(19) . . ?
C5 Os2 Os1 131.36(16) . . ?
C3 Os2 Os1 134.84(18) . . ?
C4 Os2 Os1 121.82(16) . . ?
B2 Os2 Os1 51.7(2) . . ?
C5 C1 C2 107.3(6) . . ?
C5 C1 C7 125.5(8) . . ?
C2 C1 C7 127.1(8) . . ?
C5 C1 Os2 73.2(3) . . ?
C2 C1 Os2 71.1(4) . . ?
C7 C1 Os2 123.7(5) . . ?
C3 C2 C1 107.1(5) . . ?
C3 C2 C8 127.9(9) . . ?
C1 C2 C8 124.7(9) . . ?
C3 C2 Os2 73.3(4) . . ?
C1 C2 Os2 71.3(3) . . ?
C8 C2 Os2 125.5(6) . . ?
C4 C3 C2 108.6(6) . . ?
C4 C3 C9 126.5(8) . . ?
C2 C3 C9 124.6(8) . . ?
C4 C3 Os2 73.0(3) . . ?
C2 C3 Os2 70.0(3) . . ?
C9 C3 Os2 128.0(5) . . ?
C3 C4 C5 108.6(6) . . ?
C3 C4 C10 125.9(7) . . ?
C5 C4 C10 125.2(7) . . ?
C3 C4 Os2 71.5(4) . . ?
C5 C4 Os2 71.2(3) . . ?
C10 C4 Os2 127.7(5) . . ?
C4 C5 C1 108.3(6) . . ?
C4 C5 C6 125.9(7) . . ?
C1 C5 C6 125.3(7) . . ?
C4 C5 Os2 72.8(4) . . ?
C1 C5 Os2 70.2(4) . . ?
C6 C5 Os2 129.1(5) . . ?
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 . . ?
C12 C11 C15 108.8(6) . . ?
C12 C11 C17 126.0(8) . . ?
C15 C11 C17 125.0(9) . . ?
C12 C11 Os1 71.3(4) . . ?
C15 C11 Os1 72.8(4) . . ?
C17 C11 Os1 126.1(5) . . ?
C13 C12 C11 109.3(6) . . ?
C13 C12 C18 125.4(8) . . ?
C11 C12 C18 125.1(8) . . ?
C13 C12 Os1 72.4(4) . . ?
C11 C12 Os1 72.7(4) . . ?
C18 C12 Os1 125.5(5) . . ?
C12 C13 C14 109.3(7) . . ?
C12 C13 C19 125.5(9) . . ?
C14 C13 C19 125.0(9) . . ?
C12 C13 Os1 72.0(4) . . ?
C14 C13 Os1 73.2(4) . . ?
C19 C13 Os1 124.7(6) . . ?
C13 C14 C15 106.6(6) . . ?
C13 C14 C20 126.8(10) . . ?
C15 C14 C20 126.2(10) . . ?
C13 C14 Os1 70.7(4) . . ?
C15 C14 Os1 71.4(3) . . ?
C20 C14 Os1 127.8(6) . . ?
C11 C15 C14 106.0(6) . . ?
C11 C15 C16 126.8(10) . . ?
C14 C15 C16 126.9(10) . . ?
C11 C15 Os1 71.0(4) . . ?
C14 C15 Os1 71.2(4) . . ?
C16 C15 Os1 127.7(5) . . ?
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 . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C11 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12 C18 H18A 109.5 . . ?
C12 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C12 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13 C19 H19A 109.5 . . ?
C13 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C13 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C20 H20A 109.5 . . ?
C14 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C14 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
B6 B1 B3 58.2(6) . . ?
B6 B1 B2 91.9(6) . . ?
B3 B1 B2 58.1(6) . . ?
B6 B1 Os1 72.2(5) . . ?
B3 B1 Os1 102.7(5) . . ?
B2 B1 Os1 69.8(4) . . ?
B6 B1 H1 133.2 . . ?
B3 B1 H1 134.3 . . ?
B2 B1 H1 134.5 . . ?
Os1 B1 H1 123.0 . . ?
B3 B2 B1 60.5(6) . . ?
B3 B2 B5 122.8(8) . . ?
B1 B2 B5 122.7(6) . . ?
B3 B2 Os1 99.6(6) . . ?
B1 B2 Os1 62.9(4) . . ?
B5 B2 Os1 60.3(4) . . ?
B3 B2 Os2 63.2(5) . . ?
B1 B2 Os2 98.8(5) . . ?
B5 B2 Os2 60.0(4) . . ?
Os1 B2 Os2 75.0(3) . . ?
B3 B2 H2 116.8 . . ?
B1 B2 H2 117.3 . . ?
B5 B2 H2 109.4 . . ?
Os1 B2 H2 138.2 . . ?
Os2 B2 H2 138.7 . . ?
B6 B3 B2 95.6(6) . . ?
B6 B3 B1 60.7(6) . . ?
B2 B3 B1 61.5(6) . . ?
B6 B3 Os2 69.8(4) . . ?
B2 B3 Os2 72.1(5) . . ?
B1 B3 Os2 104.9(4) . . ?
B6 B3 H3 132.8 . . ?
B2 B3 H3 131.3 . . ?
B1 B3 H3 132.0 . . ?
Os2 B3 H3 123.1 . . ?
B6 B4 Os1 73.9(5) . . ?
B6 B4 Os2 71.1(5) . . ?
Os1 B4 Os2 84.5(3) . . ?
B6 B4 H4 127(4) . . ?
Os1 B4 H4 139(4) . . ?
Os2 B4 H4 134(4) . . ?
B3 B6 B1 61.1(6) . . ?
B3 B6 B4 124.7(7) . . ?
B1 B6 B4 120.9(8) . . ?
B3 B6 Os2 64.9(5) . . ?
B1 B6 Os2 102.0(6) . . ?
B4 B6 Os2 60.9(4) . . ?
B3 B6 Os1 97.8(6) . . ?
B1 B6 Os1 61.9(5) . . ?
B4 B6 Os1 59.0(4) . . ?
Os2 B6 Os1 75.2(3) . . ?
B3 B6 H6 116.2 . . ?
B1 B6 H6 116.9 . . ?
B4 B6 H6 109.7 . . ?
Os2 B6 H6 136.0 . . ?
Os1 B6 H6 140.6 . . ?
B2 B5 Os1 71.6(4) . . ?
B2 B5 Os2 72.8(5) . . ?
Os1 B5 Os2 83.8(3) . . ?
B2 B5 H5 127(4) . . ?
Os1 B5 H5 130(4) . . ?
Os2 B5 H5 143(4) . . ?

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 0.3(7) . . . . ?
C7 C1 C2 C3 -176.5(7) . . . . ?
Os2 C1 C2 C3 65.0(5) . . . . ?
C5 C1 C2 C8 174.5(7) . . . . ?
C7 C1 C2 C8 -2.3(12) . . . . ?
Os2 C1 C2 C8 -120.8(8) . . . . ?
C5 C1 C2 Os2 -64.7(4) . . . . ?
C7 C1 C2 Os2 118.5(7) . . . . ?
C1 C2 C3 C4 -0.5(7) . . . . ?
C8 C2 C3 C4 -174.5(7) . . . . ?
Os2 C2 C3 C4 63.2(5) . . . . ?
C1 C2 C3 C9 173.3(7) . . . . ?
C8 C2 C3 C9 -0.7(12) . . . . ?
Os2 C2 C3 C9 -123.0(7) . . . . ?
C1 C2 C3 Os2 -63.7(4) . . . . ?
C8 C2 C3 Os2 122.3(8) . . . . ?
C2 C3 C4 C5 0.6(7) . . . . ?
C9 C3 C4 C5 -173.1(7) . . . . ?
Os2 C3 C4 C5 61.9(4) . . . . ?
C2 C3 C4 C10 175.1(7) . . . . ?
C9 C3 C4 C10 1.4(12) . . . . ?
Os2 C3 C4 C10 -123.6(7) . . . . ?
C2 C3 C4 Os2 -61.3(5) . . . . ?
C9 C3 C4 Os2 125.0(7) . . . . ?
C3 C4 C5 C1 -0.4(7) . . . . ?
C10 C4 C5 C1 -175.0(6) . . . . ?
Os2 C4 C5 C1 61.7(4) . . . . ?
C3 C4 C5 C6 171.7(6) . . . . ?
C10 C4 C5 C6 -2.9(10) . . . . ?
Os2 C4 C5 C6 -126.3(6) . . . . ?
C3 C4 C5 Os2 -62.0(4) . . . . ?
C10 C4 C5 Os2 123.4(7) . . . . ?
C2 C1 C5 C4 0.1(7) . . . . ?
C7 C1 C5 C4 176.9(6) . . . . ?
Os2 C1 C5 C4 -63.3(4) . . . . ?
C2 C1 C5 C6 -172.1(6) . . . . ?
C7 C1 C5 C6 4.8(11) . . . . ?
Os2 C1 C5 C6 124.6(6) . . . . ?
C2 C1 C5 Os2 63.4(4) . . . . ?
C7 C1 C5 Os2 -119.7(7) . . . . ?
C15 C11 C12 C13 0.0(8) . . . . ?
C17 C11 C12 C13 -174.8(7) . . . . ?
Os1 C11 C12 C13 63.6(5) . . . . ?
C15 C11 C12 C18 174.8(7) . . . . ?
C17 C11 C12 C18 -0.1(12) . . . . ?
Os1 C11 C12 C18 -121.6(8) . . . . ?
C15 C11 C12 Os1 -63.6(4) . . . . ?
C17 C11 C12 Os1 121.5(7) . . . . ?
C11 C12 C13 C14 0.4(8) . . . . ?
C18 C12 C13 C14 -174.3(7) . . . . ?
Os1 C12 C13 C14 64.3(5) . . . . ?
C11 C12 C13 C19 175.9(8) . . . . ?
C18 C12 C13 C19 1.2(13) . . . . ?
Os1 C12 C13 C19 -120.2(8) . . . . ?
C11 C12 C13 Os1 -63.9(5) . . . . ?
C18 C12 C13 Os1 121.4(8) . . . . ?
C12 C13 C14 C15 -0.6(8) . . . . ?
C19 C13 C14 C15 -176.2(7) . . . . ?
Os1 C13 C14 C15 62.8(4) . . . . ?
C12 C13 C14 C20 173.3(7) . . . . ?
C19 C13 C14 C20 -2.3(12) . . . . ?
Os1 C13 C14 C20 -123.3(8) . . . . ?
C12 C13 C14 Os1 -63.5(5) . . . . ?
C19 C13 C14 Os1 121.0(8) . . . . ?
C12 C11 C15 C14 -0.4(7) . . . . ?
C17 C11 C15 C14 174.5(6) . . . . ?
Os1 C11 C15 C14 -63.1(4) . . . . ?
C12 C11 C15 C16 -174.0(7) . . . . ?
C17 C11 C15 C16 0.9(11) . . . . ?
Os1 C11 C15 C16 123.4(7) . . . . ?
C12 C11 C15 Os1 62.7(5) . . . . ?
C17 C11 C15 Os1 -122.4(7) . . . . ?
C13 C14 C15 C11 0.6(7) . . . . ?
C20 C14 C15 C11 -173.3(7) . . . . ?
Os1 C14 C15 C11 63.0(4) . . . . ?
C13 C14 C15 C16 174.2(7) . . . . ?
C20 C14 C15 C16 0.2(11) . . . . ?
Os1 C14 C15 C16 -123.5(7) . . . . ?
C13 C14 C15 Os1 -62.3(5) . . . . ?
C20 C14 C15 Os1 123.7(8) . . . . ?
B6 B1 B2 B3 50.1(6) . . . . ?
Os1 B1 B2 B3 120.4(5) . . . . ?
B6 B1 B2 B5 -62.1(10) . . . . ?
B3 B1 B2 B5 -112.1(10) . . . . ?
Os1 B1 B2 B5 8.2(7) . . . . ?
B6 B1 B2 Os1 -70.3(5) . . . . ?
B3 B1 B2 Os1 -120.4(5) . . . . ?
B6 B1 B2 Os2 -2.2(6) . . . . ?
B3 B1 B2 Os2 -52.2(5) . . . . ?
Os1 B1 B2 Os2 68.1(3) . . . . ?
B1 B2 B3 B6 -52.2(6) . . . . ?
B5 B2 B3 B6 59.8(10) . . . . ?
Os1 B2 B3 B6 -1.0(7) . . . . ?
Os2 B2 B3 B6 66.7(5) . . . . ?
B5 B2 B3 B1 112.0(8) . . . . ?
Os1 B2 B3 B1 51.2(5) . . . . ?
Os2 B2 B3 B1 118.9(5) . . . . ?
B1 B2 B3 Os2 -118.9(5) . . . . ?
B5 B2 B3 Os2 -6.9(7) . . . . ?
Os1 B2 B3 Os2 -67.7(4) . . . . ?
B2 B1 B3 B6 115.6(6) . . . . ?
Os1 B1 B3 B6 59.5(5) . . . . ?
B6 B1 B3 B2 -115.6(6) . . . . ?
Os1 B1 B3 B2 -56.1(5) . . . . ?
B6 B1 B3 Os2 -56.0(5) . . . . ?
B2 B1 B3 Os2 59.6(5) . . . . ?
Os1 B1 B3 Os2 3.4(6) . . . . ?
B2 B3 B6 B1 52.8(6) . . . . ?
Os2 B3 B6 B1 121.4(5) . . . . ?
B2 B3 B6 B4 -56.6(11) . . . . ?
B1 B3 B6 B4 -109.3(10) . . . . ?
Os2 B3 B6 B4 12.0(8) . . . . ?
B2 B3 B6 Os2 -68.6(5) . . . . ?
B1 B3 B6 Os2 -121.4(5) . . . . ?
B2 B3 B6 Os1 1.0(7) . . . . ?
B1 B3 B6 Os1 -51.8(5) . . . . ?
Os2 B3 B6 Os1 69.6(3) . . . . ?
B2 B1 B6 B3 -50.0(6) . . . . ?
Os1 B1 B6 B3 -118.1(5) . . . . ?
B3 B1 B6 B4 115.3(9) . . . . ?
B2 B1 B6 B4 65.3(9) . . . . ?
Os1 B1 B6 B4 -2.8(7) . . . . ?
B3 B1 B6 Os2 52.2(5) . . . . ?
B2 B1 B6 Os2 2.3(6) . . . . ?
Os1 B1 B6 Os2 -65.9(4) . . . . ?
B3 B1 B6 Os1 118.1(5) . . . . ?
B2 B1 B6 Os1 68.1(4) . . . . ?
Os1 B4 B6 B3 77.1(9) . . . . ?
Os2 B4 B6 B3 -12.5(8) . . . . ?
Os1 B4 B6 B1 2.9(7) . . . . ?
Os2 B4 B6 B1 -86.7(8) . . . . ?
Os1 B4 B6 Os2 89.6(3) . . . . ?
Os2 B4 B6 Os1 -89.6(3) . . . . ?
B3 B2 B5 Os1 -82.0(8) . . . . ?
B1 B2 B5 Os1 -8.4(8) . . . . ?
Os2 B2 B5 Os1 -89.1(3) . . . . ?
B3 B2 B5 Os2 7.1(8) . . . . ?
B1 B2 B5 Os2 80.7(8) . . . . ?
Os1 B2 B5 Os2 89.1(3) . . . . ?

_refine_diff_density_max         1.578
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.128

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_OS2
_database_code_depnum_ccdc_archive 'CCDC 2291112'
loop_
_audit_author_name
_audit_author_address
'Dr. P. K. SUDHADEVI ANTHARJANAM'
;SAIF, Indian Institute of Technology Madras
India
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H40 B10 Os2'
_chemical_formula_weight         769.02

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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'

_cell_length_a                   8.891(8)
_cell_length_b                   15.195(11)
_cell_length_c                   19.952(18)
_cell_angle_alpha                90
_cell_angle_beta                 100.42(3)
_cell_angle_gamma                90
_cell_volume                     2651(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)

_cell_measurement_reflns_used    5959
_cell_measurement_theta_min      2.68
_cell_measurement_theta_max      25.87
_exptl_crystal_description       plate
_exptl_crystal_colour            green


_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_F_000             1448
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.218
_exptl_crystal_size_mid          0.208
_exptl_crystal_size_min          0.045
_exptl_absorpt_coefficient_mu    9.584
_shelx_estimated_absorpt_T_min   0.229
_shelx_estimated_absorpt_T_max   0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1803
_exptl_absorpt_correction_T_max  0.4908
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
'Bruker D8 VENTURE diffractometer with PHOTON II detector'
_diffrn_measurement_method       'ω and φ scan'



_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27138
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_av_R_equivalents  0.0870
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.029
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4642
_reflns_number_gt                3529
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX4 (Bruker, v2021.4-0)'
_computing_cell_refinement       'APEX4/SAINT V8.40B (Bruker, 2021)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2021)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2019/3 (Sheldrick, 2019)'


_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1031P)²+106.9897P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4642
_refine_ls_number_parameters     250
_refine_ls_number_restraints     490
_refine_ls_R_factor_all          0.1191
_refine_ls_R_factor_gt           0.0910
_refine_ls_wR_factor_ref         0.2685
_refine_ls_wR_factor_gt          0.2329
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.8694(13) 0.8062(9) 0.4627(6) 0.083(5) Uani 1 1 d G U . . .
C2 C 0.8829(13) 0.7194(8) 0.4894(6) 0.076(5) Uani 1 1 d G U . . .
C3 C 0.7640(14) 0.7062(8) 0.5272(6) 0.075(5) Uani 1 1 d G U . . .
C4 C 0.6771(13) 0.7850(9) 0.5240(6) 0.081(5) Uani 1 1 d G U . . .
C5 C 0.7422(14) 0.8468(8) 0.4841(6) 0.077(5) Uani 1 1 d G U . . .
C6 C 0.972(2) 0.8481(12) 0.4193(10) 0.117(10) Uani 1 1 d G U . . .
H6A H 1.008222 0.803855 0.391666 0.175 Uiso 1 1 calc R U . . .
H6B H 1.057977 0.875112 0.448147 0.175 Uiso 1 1 calc R U . . .
H6C H 0.916089 0.891984 0.390434 0.175 Uiso 1 1 calc R U . . .
C7 C 1.0026(18) 0.6527(11) 0.4792(11) 0.122(10) Uani 1 1 d G U . . .
H7A H 1.098360 0.667646 0.507549 0.182 Uiso 1 1 calc R U . . .
H7B H 1.014310 0.652711 0.432309 0.182 Uiso 1 1 calc R U . . .
H7C H 0.971398 0.595231 0.491330 0.182 Uiso 1 1 calc R U . . .
C8 C 0.735(2) 0.6231(10) 0.5644(10) 0.111(9) Uani 1 1 d G U . . .
H8A H 0.771636 0.630655 0.612332 0.167 Uiso 1 1 calc R U . . .
H8B H 0.788097 0.574912 0.547935 0.167 Uiso 1 1 calc R U . . .
H8C H 0.627459 0.610998 0.556475 0.167 Uiso 1 1 calc R U . . .
C9 C 0.5395(18) 0.8003(12) 0.5571(10) 0.128(11) Uani 1 1 d G U . . .
H9A H 0.518265 0.747979 0.580639 0.191 Uiso 1 1 calc R U . . .
H9B H 0.452694 0.814661 0.522734 0.191 Uiso 1 1 calc R U . . .
H9C H 0.560149 0.848089 0.588908 0.191 Uiso 1 1 calc R U . . .
C10 C 0.686(2) 0.9394(9) 0.4674(11) 0.127(11) Uani 1 1 d G U . . .
H10A H 0.768972 0.980000 0.480195 0.191 Uiso 1 1 calc R U . . .
H10B H 0.605691 0.952873 0.492048 0.191 Uiso 1 1 calc R U . . .
H10C H 0.647842 0.944092 0.419368 0.191 Uiso 1 1 calc R U . . .
C11 C 0.7634(14) 0.5139(10) 0.2821(7) 0.084(5) Uani 1 1 d G U . . .
C12 C 0.7617(15) 0.5788(10) 0.2307(8) 0.084(5) Uani 1 1 d G U . . .
C13 C 0.6126(16) 0.5808(10) 0.1906(7) 0.087(5) Uani 1 1 d G U . . .
C14 C 0.5221(14) 0.5172(10) 0.2171(8) 0.088(5) Uani 1 1 d G U . . .
C15 C 0.6154(16) 0.4758(10) 0.2736(8) 0.089(5) Uani 1 1 d G U . . .
C16 C 0.8989(19) 0.4896(16) 0.3361(10) 0.157(13) Uani 1 1 d G U . . .
H16A H 0.871178 0.494463 0.380272 0.235 Uiso 1 1 calc R U . . .
H16B H 0.982301 0.528798 0.333390 0.235 Uiso 1 1 calc R U . . .
H16C H 0.929248 0.430248 0.328968 0.235 Uiso 1 1 calc R U . . .
C17 C 0.8950(19) 0.6357(15) 0.2206(12) 0.151(13) Uani 1 1 d G U . . .
H17A H 0.864473 0.673262 0.181867 0.227 Uiso 1 1 calc R U . . .
H17B H 0.978158 0.598900 0.213025 0.227 Uiso 1 1 calc R U . . .
H17C H 0.927287 0.671015 0.260503 0.227 Uiso 1 1 calc R U . . .
C18 C 0.560(2) 0.6402(15) 0.1303(10) 0.163(14) Uani 1 1 d G U . . .
H18A H 0.542406 0.605884 0.089224 0.244 Uiso 1 1 calc R U . . .
H18B H 0.636436 0.683833 0.127644 0.244 Uiso 1 1 calc DR U . . .
H18C H 0.466141 0.668776 0.135634 0.244 Uiso 1 1 calc R U . . .
C19 C 0.3561(15) 0.4970(16) 0.1899(12) 0.150(12) Uani 1 1 d G U . . .
H19A H 0.324727 0.526284 0.147031 0.225 Uiso 1 1 calc R U . . .
H19B H 0.294720 0.517344 0.221777 0.225 Uiso 1 1 calc R U . . .
H19C H 0.343099 0.434666 0.183731 0.225 Uiso 1 1 calc R U . . .
C20 C 0.566(2) 0.4040(13) 0.3171(11) 0.157(13) Uani 1 1 d G U . . .
H20A H 0.460186 0.390026 0.300761 0.236 Uiso 1 1 calc R U . . .
H20B H 0.627165 0.352480 0.314778 0.236 Uiso 1 1 calc R U . . .
H20C H 0.578358 0.423689 0.363523 0.236 Uiso 1 1 calc R U . . .
B1 B 0.512(4) 0.614(3) 0.3947(19) 0.091(4) Uani 1 1 d . U . . .
H1 H 0.539713 0.554829 0.426175 0.109 Uiso 1 1 calc R U . . .
B2 B 0.397(4) 0.709(3) 0.405(2) 0.095(4) Uani 1 1 d . U . . .
H2 H 0.343862 0.710961 0.450073 0.114 Uiso 1 1 calc R U . . .
B3 B 0.440(4) 0.809(3) 0.369(2) 0.095(4) Uani 1 1 d . U . . .
H3 H 0.418001 0.864973 0.400391 0.113 Uiso 1 1 calc R U . . .
B4 B 0.411(5) 0.813(3) 0.285(2) 0.101(5) Uani 1 1 d . U . . .
H4 H 0.349433 0.868676 0.257629 0.121 Uiso 1 1 calc R U . . .
B5 B 0.387(4) 0.707(3) 0.261(2) 0.097(4) Uani 1 1 d . U . . .
H5 H 0.320651 0.689992 0.210869 0.116 Uiso 1 1 calc R U . . .
B6 B 0.361(5) 0.636(3) 0.332(2) 0.097(4) Uani 1 1 d . U . . .
H6 H 0.277628 0.582142 0.324493 0.116 Uiso 1 1 calc R U . . .
B7 B 0.300(5) 0.743(3) 0.323(2) 0.098(5) Uani 1 1 d . U . . .
H7 H 0.175481 0.753219 0.315980 0.118 Uiso 1 1 calc R U . . .
B8 B 0.593(4) 0.835(3) 0.311(2) 0.094(4) Uani 1 1 d . U . . .
H8 H 0.639117 0.900604 0.302987 0.113 Uiso 1 1 calc R U . . .
B9 B 0.711(5) 0.746(3) 0.315(2) 0.092(4) Uani 1 1 d . U . . .
H9 H 0.835297 0.746900 0.315611 0.111 Uiso 1 1 calc R U . . .
B10 B 0.565(5) 0.758(3) 0.257(2) 0.098(4) Uani 1 1 d . U . . .
H10 H 0.596042 0.766450 0.206771 0.118 Uiso 1 1 calc DR U . . .
Os1 Os 0.64461(11) 0.73210(7) 0.41518(5) 0.0631(4) Uani 1 1 d . U . . .
Os2 Os 0.58643(12) 0.62364(7) 0.29788(5) 0.0664(4) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C2 1.4200 . ?
C1 C5 1.4200 . ?
C1 C6 1.5095 . ?
C1 Os1 2.341(13) . ?
C2 C3 1.4200 . ?
C2 C7 1.5095 . ?
C2 Os1 2.363(13) . ?
C3 C4 1.4200 . ?
C3 C8 1.5095 . ?
C3 Os1 2.328(13) . ?
C4 C5 1.4200 . ?
C4 C9 1.5095 . ?
C4 Os1 2.283(13) . ?
C5 C10 1.5095 . ?
C5 Os1 2.291(13) . ?
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 1.4200 . ?
C11 C12 1.4200 . ?
C11 C16 1.5095 . ?
C11 Os2 2.353(15) . ?
C12 C13 1.4200 . ?
C12 C17 1.5095 . ?
C12 Os2 2.333(14) . ?
C13 C14 1.4200 . ?
C13 C18 1.5095 . ?
C13 Os2 2.289(15) . ?
C14 C15 1.4200 . ?
C14 C19 1.5095 . ?
C14 Os2 2.282(15) . ?
C15 C20 1.5095 . ?
C15 Os2 2.322(15) . ?
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 B6 1.69(5) . ?
B1 B2 1.79(5) . ?
B1 Os1 2.14(4) . ?
B1 Os2 2.15(4) . ?
B1 H1 1.1000 . ?
B2 B3 1.76(6) . ?
B2 B7 1.77(6) . ?
B2 B6 1.79(6) . ?
B2 Os1 2.20(4) . ?
B2 H2 1.1000 . ?
B3 B4 1.65(5) . ?
B3 B7 1.73(6) . ?
B3 B8 1.97(6) . ?
B3 Os1 2.22(4) . ?
B3 H3 1.1000 . ?
B4 B8 1.64(5) . ?
B4 B5 1.67(6) . ?
B4 B7 1.73(6) . ?
B4 B10 1.77(6) . ?
B4 H4 1.1000 . ?
B5 B7 1.67(6) . ?
B5 B10 1.77(6) . ?
B5 B6 1.83(6) . ?
B5 Os2 2.20(4) . ?
B5 H5 1.1000 . ?
B6 B7 1.71(6) . ?
B6 Os2 2.24(4) . ?
B6 H6 1.1000 . ?
B7 H7 1.1000 . ?
B8 B10 1.58(5) . ?
B8 B9 1.71(5) . ?
B8 Os1 2.57(4) . ?
B8 H8 1.1000 . ?
B9 B10 1.59(5) . ?
B9 Os2 2.16(4) . ?
B9 Os1 2.19(4) . ?
B9 H9 1.1000 . ?
B10 Os2 2.19(4) . ?
B10 H10 1.1000 . ?
Os1 Os2 2.832(2) . ?

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
C2 C1 C5 108.0 . . ?
C2 C1 C6 126.0 . . ?
C5 C1 C6 126.0 . . ?
C2 C1 Os1 73.3(5) . . ?
C5 C1 Os1 70.3(4) . . ?
C6 C1 Os1 122.1(4) . . ?
C3 C2 C1 108.0 . . ?
C3 C2 C7 126.0 . . ?
C1 C2 C7 126.0 . . ?
C3 C2 Os1 71.0(4) . . ?
C1 C2 Os1 71.6(5) . . ?
C7 C2 Os1 123.0(4) . . ?
C2 C3 C4 108.0 . . ?
C2 C3 C8 126.0 . . ?
C4 C3 C8 126.0 . . ?
C2 C3 Os1 73.7(4) . . ?
C4 C3 Os1 70.4(4) . . ?
C8 C3 Os1 121.6(4) . . ?
C3 C4 C5 108.0 . . ?
C3 C4 C9 126.0 . . ?
C5 C4 C9 126.0 . . ?
C3 C4 Os1 73.8(5) . . ?
C5 C4 Os1 72.2(5) . . ?
C9 C4 Os1 119.8(4) . . ?
C4 C5 C1 108.0 . . ?
C4 C5 C10 126.0 . . ?
C1 C5 C10 126.0 . . ?
C4 C5 Os1 71.6(4) . . ?
C1 C5 Os1 74.1(4) . . ?
C10 C5 Os1 120.1(4) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C12 108.0 . . ?
C15 C11 C16 126.0 . . ?
C12 C11 C16 126.0 . . ?
C15 C11 Os2 71.1(5) . . ?
C12 C11 Os2 71.6(5) . . ?
C16 C11 Os2 122.9(5) . . ?
C13 C12 C11 108.0 . . ?
C13 C12 C17 126.0 . . ?
C11 C12 C17 126.0 . . ?
C13 C12 Os2 70.4(5) . . ?
C11 C12 Os2 73.1(5) . . ?
C17 C12 Os2 122.1(5) . . ?
C12 C13 C14 108.0 . . ?
C12 C13 C18 126.0 . . ?
C14 C13 C18 126.0 . . ?
C12 C13 Os2 73.8(5) . . ?
C14 C13 Os2 71.6(5) . . ?
C18 C13 Os2 120.4(5) . . ?
C13 C14 C15 108.0 . . ?
C13 C14 C19 126.0 . . ?
C15 C14 C19 126.0 . . ?
C13 C14 Os2 72.2(5) . . ?
C15 C14 Os2 73.6(5) . . ?
C19 C14 Os2 120.1(5) . . ?
C11 C15 C14 108.0 . . ?
C11 C15 C20 126.0 . . ?
C14 C15 C20 126.0 . . ?
C11 C15 Os2 73.5(5) . . ?
C14 C15 Os2 70.5(5) . . ?
C20 C15 Os2 121.7(5) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 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 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
B6 B1 B2 62(2) . . ?
B6 B1 Os1 108(3) . . ?
B2 B1 Os1 67.3(18) . . ?
B6 B1 Os2 70(2) . . ?
B2 B1 Os2 108(2) . . ?
Os1 B1 Os2 82.5(15) . . ?
B6 B1 H1 130.3 . . ?
B2 B1 H1 131.5 . . ?
Os1 B1 H1 121.3 . . ?
Os2 B1 H1 119.8 . . ?
B3 B2 B7 59(2) . . ?
B3 B2 B6 103(3) . . ?
B7 B2 B6 57(2) . . ?
B3 B2 B1 119(3) . . ?
B7 B2 B1 109(3) . . ?
B6 B2 B1 56(2) . . ?
B3 B2 Os1 67.0(18) . . ?
B7 B2 Os1 111(3) . . ?
B6 B2 Os1 102(2) . . ?
B1 B2 Os1 63.9(18) . . ?
B3 B2 H2 117.8 . . ?
B7 B2 H2 122.1 . . ?
B6 B2 H2 130.0 . . ?
B1 B2 H2 117.2 . . ?
Os1 B2 H2 119.2 . . ?
B4 B3 B7 62(2) . . ?
B4 B3 B2 116(3) . . ?
B7 B3 B2 61(2) . . ?
B4 B3 B8 53(2) . . ?
B7 B3 B8 109(3) . . ?
B2 B3 B8 129(3) . . ?
B4 B3 Os1 114(2) . . ?
B7 B3 Os1 112(3) . . ?
B2 B3 Os1 66.1(18) . . ?
B8 B3 Os1 75.5(17) . . ?
B4 B3 H3 123.1 . . ?
B7 B3 H3 124.1 . . ?
B2 B3 H3 111.2 . . ?
B8 B3 H3 113.2 . . ?
Os1 B3 H3 112.8 . . ?
B8 B4 B3 73(3) . . ?
B8 B4 B5 111(3) . . ?
B3 B4 B5 104(3) . . ?
B8 B4 B7 126(3) . . ?
B3 B4 B7 61(2) . . ?
B5 B4 B7 59(2) . . ?
B8 B4 B10 55(2) . . ?
B3 B4 B10 108(3) . . ?
B5 B4 B10 62(2) . . ?
B7 B4 B10 113(3) . . ?
B8 B4 H4 112.0 . . ?
B3 B4 H4 120.0 . . ?
B5 B4 H4 125.0 . . ?
B7 B4 H4 114.8 . . ?
B10 B4 H4 123.8 . . ?
B7 B5 B4 62(2) . . ?
B7 B5 B10 115(3) . . ?
B4 B5 B10 62(2) . . ?
B7 B5 B6 58(2) . . ?
B4 B5 B6 112(3) . . ?
B10 B5 B6 122(3) . . ?
B7 B5 Os2 113(3) . . ?
B4 B5 Os2 114(2) . . ?
B10 B5 Os2 66.1(18) . . ?
B6 B5 Os2 66.9(18) . . ?
B7 B5 H5 120.7 . . ?
B4 B5 H5 120.4 . . ?
B10 B5 H5 113.6 . . ?
B6 B5 H5 116.3 . . ?
Os2 B5 H5 115.8 . . ?
B1 B6 B7 117(3) . . ?
B1 B6 B2 62(2) . . ?
B7 B6 B2 61(2) . . ?
B1 B6 B5 119(3) . . ?
B7 B6 B5 56(2) . . ?
B2 B6 B5 103(3) . . ?
B1 B6 Os2 64.6(19) . . ?
B7 B6 Os2 110(3) . . ?
B2 B6 Os2 105(2) . . ?
B5 B6 Os2 64.3(18) . . ?
B1 B6 H6 112.4 . . ?
B7 B6 H6 120.1 . . ?
B2 B6 H6 126.2 . . ?
B5 B6 H6 120.5 . . ?
Os2 B6 H6 120.6 . . ?
B5 B7 B6 66(2) . . ?
B5 B7 B3 101(3) . . ?
B6 B7 B3 108(3) . . ?
B5 B7 B4 59(3) . . ?
B6 B7 B4 116(3) . . ?
B3 B7 B4 57(2) . . ?
B5 B7 B2 112(3) . . ?
B6 B7 B2 62(2) . . ?
B3 B7 B2 60(2) . . ?
B4 B7 B2 111(3) . . ?
B5 B7 H7 122.4 . . ?
B6 B7 H7 116.4 . . ?
B3 B7 H7 127.1 . . ?
B4 B7 H7 119.6 . . ?
B2 B7 H7 118.8 . . ?
B10 B8 B4 66(3) . . ?
B10 B8 B9 58(2) . . ?
B4 B8 B9 114(3) . . ?
B10 B8 B3 102(3) . . ?
B4 B8 B3 53(2) . . ?
B9 B8 B3 107(3) . . ?
B10 B8 Os1 95(3) . . ?
B4 B8 Os1 99(3) . . ?
B9 B8 Os1 57.5(18) . . ?
B3 B8 Os1 56.6(16) . . ?
B10 B8 H8 125.8 . . ?
B4 B8 H8 120.5 . . ?
B9 B8 H8 119.0 . . ?
B3 B8 H8 125.7 . . ?
Os1 B8 H8 131.0 . . ?
B10 B9 B8 57(2) . . ?
B10 B9 Os2 70(2) . . ?
B8 B9 Os2 112(3) . . ?
B10 B9 Os1 111(3) . . ?
B8 B9 Os1 81(2) . . ?
Os2 B9 Os1 81.3(15) . . ?
B10 B9 H9 133.9 . . ?
B8 B9 H9 126.3 . . ?
Os2 B9 H9 120.2 . . ?
Os1 B9 H9 115.4 . . ?
B8 B10 B9 65(2) . . ?
B8 B10 B4 58(2) . . ?
B9 B10 B4 114(3) . . ?
B8 B10 B5 109(3) . . ?
B9 B10 B5 123(3) . . ?
B4 B10 B5 56(2) . . ?
B8 B10 Os2 116(3) . . ?
B9 B10 Os2 67(2) . . ?
B4 B10 Os2 110(3) . . ?
B5 B10 Os2 66(2) . . ?
B8 B10 H10 120.1 . . ?
B9 B10 H10 111.6 . . ?
B4 B10 H10 124.6 . . ?
B5 B10 H10 117.9 . . ?
Os2 B10 H10 115.3 . . ?
B1 Os1 B9 97.7(15) . . ?
B1 Os1 B2 48.8(15) . . ?
B9 Os1 B2 111.0(15) . . ?
B1 Os1 B3 89.0(15) . . ?
B9 Os1 B3 84.6(15) . . ?
B2 Os1 B3 46.9(15) . . ?
B1 Os1 C4 116.6(11) . . ?
B9 Os1 C4 145.5(11) . . ?
B2 Os1 C4 95.8(11) . . ?
B3 Os1 C4 99.5(11) . . ?
B1 Os1 C5 152.4(11) . . ?
B9 Os1 C5 109.9(11) . . ?
B2 Os1 C5 116.4(11) . . ?
B3 Os1 C5 92.5(11) . . ?
C4 Os1 C5 36.17(19) . . ?
B1 Os1 C3 100.5(11) . . ?
B9 Os1 C3 137.6(11) . . ?
B2 Os1 C3 109.9(11) . . ?
B3 Os1 C3 133.5(11) . . ?
C4 Os1 C3 35.85(19) . . ?
C5 Os1 C3 59.6(3) . . ?
B1 Os1 C1 151.5(11) . . ?
B9 Os1 C1 88.4(11) . . ?
B2 Os1 C1 152.0(11) . . ?
B3 Os1 C1 119.4(12) . . ?
C4 Os1 C1 59.6(3) . . ?
C5 Os1 C1 35.68(19) . . ?
C3 Os1 C1 59.0(3) . . ?
B1 Os1 C2 116.7(11) . . ?
B9 Os1 C2 102.6(11) . . ?
B2 Os1 C2 144.6(11) . . ?
B3 Os1 C2 151.6(11) . . ?
C4 Os1 C2 59.2(3) . . ?
C5 Os1 C2 59.1(3) . . ?
C3 Os1 C2 35.23(18) . . ?
C1 Os1 C2 35.14(17) . . ?
B1 Os1 B8 110.1(14) . . ?
B9 Os1 B8 41.2(13) . . ?
B2 Os1 B8 89.6(14) . . ?
B3 Os1 B8 47.9(13) . . ?
C4 Os1 B8 121.7(9) . . ?
C5 Os1 B8 90.8(10) . . ?
C3 Os1 B8 149.4(10) . . ?
C1 Os1 B8 92.7(10) . . ?
C2 Os1 B8 124.3(10) . . ?
B1 Os1 Os2 48.9(10) . . ?
B9 Os1 Os2 48.8(11) . . ?
B2 Os1 Os2 78.2(11) . . ?
B3 Os1 Os2 87.0(11) . . ?
C4 Os1 Os2 164.4(3) . . ?
C5 Os1 Os2 158.6(3) . . ?
C3 Os1 Os2 132.7(3) . . ?
C1 Os1 Os2 129.0(3) . . ?
C2 Os1 Os2 118.6(3) . . ?
B8 Os1 Os2 73.1(9) . . ?
B1 Os2 B9 98.4(15) . . ?
B1 Os2 B10 111.9(16) . . ?
B9 Os2 B10 42.9(14) . . ?
B1 Os2 B5 88.8(15) . . ?
B9 Os2 B5 85.2(15) . . ?
B10 Os2 B5 47.6(15) . . ?
B1 Os2 B6 45.3(14) . . ?
B9 Os2 B6 109.9(15) . . ?
B10 Os2 B6 90.5(16) . . ?
B5 Os2 B6 48.7(15) . . ?
B1 Os2 C14 120.5(11) . . ?
B9 Os2 C14 141.1(11) . . ?
B10 Os2 C14 113.9(12) . . ?
B5 Os2 C14 95.2(11) . . ?
B6 Os2 C14 98.8(11) . . ?
B1 Os2 C13 156.7(11) . . ?
B9 Os2 C13 104.9(11) . . ?
B10 Os2 C13 86.3(12) . . ?
B5 Os2 C13 93.7(11) . . ?
B6 Os2 C13 124.0(11) . . ?
C14 Os2 C13 36.2(2) . . ?
B1 Os2 C15 100.7(11) . . ?
B9 Os2 C15 142.3(11) . . ?
B10 Os2 C15 146.0(12) . . ?
B5 Os2 C15 127.1(12) . . ?
B6 Os2 C15 106.6(12) . . ?
C14 Os2 C15 35.9(2) . . ?
C13 Os2 C15 59.8(3) . . ?
B1 Os2 C12 147.0(11) . . ?
B9 Os2 C12 87.9(11) . . ?
B10 Os2 C12 94.8(12) . . ?
B5 Os2 C12 124.0(11) . . ?
B6 Os2 C12 158.2(11) . . ?
C14 Os2 C12 59.7(3) . . ?
C13 Os2 C12 35.8(2) . . ?
C15 Os2 C12 59.2(3) . . ?
B1 Os2 C11 113.1(11) . . ?
B9 Os2 C11 107.0(11) . . ?
B10 Os2 C11 128.8(12) . . ?
B5 Os2 C11 152.2(11) . . ?
B6 Os2 C11 139.4(12) . . ?
C14 Os2 C11 59.4(3) . . ?
C13 Os2 C11 59.3(3) . . ?
C15 Os2 C11 35.4(2) . . ?
C12 Os2 C11 35.3(2) . . ?
B1 Os2 Os1 48.6(10) . . ?
B9 Os2 Os1 49.9(11) . . ?
B10 Os2 Os1 75.8(11) . . ?
B5 Os2 Os1 87.4(11) . . ?
B6 Os2 Os1 74.7(11) . . ?
C14 Os2 Os1 168.8(4) . . ?
C13 Os2 Os1 154.7(4) . . ?
C15 Os2 Os1 136.4(4) . . ?
C12 Os2 Os1 127.1(4) . . ?
C11 Os2 Os1 119.8(3) . . ?

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 0.0 . . . . ?
C6 C1 C2 C3 180.0 . . . . ?
Os1 C1 C2 C3 -62.1(4) . . . . ?
C5 C1 C2 C7 180.0 . . . . ?
C6 C1 C2 C7 0.0 . . . . ?
Os1 C1 C2 C7 117.9(4) . . . . ?
C5 C1 C2 Os1 62.1(4) . . . . ?
C6 C1 C2 Os1 -117.9(4) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C7 C2 C3 C4 180.0 . . . . ?
Os1 C2 C3 C4 -62.4(5) . . . . ?
C1 C2 C3 C8 180.0 . . . . ?
C7 C2 C3 C8 0.0 . . . . ?
Os1 C2 C3 C8 117.6(5) . . . . ?
C1 C2 C3 Os1 62.4(5) . . . . ?
C7 C2 C3 Os1 -117.6(5) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C8 C3 C4 C5 180.0 . . . . ?
Os1 C3 C4 C5 -64.6(4) . . . . ?
C2 C3 C4 C9 180.0 . . . . ?
C8 C3 C4 C9 0.0 . . . . ?
Os1 C3 C4 C9 115.4(4) . . . . ?
C2 C3 C4 Os1 64.6(4) . . . . ?
C8 C3 C4 Os1 -115.4(4) . . . . ?
C3 C4 C5 C1 0.0 . . . . ?
C9 C4 C5 C1 180.0 . . . . ?
Os1 C4 C5 C1 -65.6(4) . . . . ?
C3 C4 C5 C10 180.0 . . . . ?
C9 C4 C5 C10 0.0 . . . . ?
Os1 C4 C5 C10 114.4(4) . . . . ?
C3 C4 C5 Os1 65.6(4) . . . . ?
C9 C4 C5 Os1 -114.4(4) . . . . ?
C2 C1 C5 C4 0.0 . . . . ?
C6 C1 C5 C4 180.0 . . . . ?
Os1 C1 C5 C4 64.0(5) . . . . ?
C2 C1 C5 C10 180.0 . . . . ?
C6 C1 C5 C10 0.0 . . . . ?
Os1 C1 C5 C10 -116.0(5) . . . . ?
C2 C1 C5 Os1 -64.0(5) . . . . ?
C6 C1 C5 Os1 116.0(5) . . . . ?
C15 C11 C12 C13 0.0 . . . . ?
C16 C11 C12 C13 180.0 . . . . ?
Os2 C11 C12 C13 -62.2(5) . . . . ?
C15 C11 C12 C17 180.0 . . . . ?
C16 C11 C12 C17 0.0 . . . . ?
Os2 C11 C12 C17 117.8(5) . . . . ?
C15 C11 C12 Os2 62.2(5) . . . . ?
C16 C11 C12 Os2 -117.8(5) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C17 C12 C13 C14 180.0 . . . . ?
Os2 C12 C13 C14 -63.9(5) . . . . ?
C11 C12 C13 C18 180.0 . . . . ?
C17 C12 C13 C18 0.0 . . . . ?
Os2 C12 C13 C18 116.1(5) . . . . ?
C11 C12 C13 Os2 63.9(5) . . . . ?
C17 C12 C13 Os2 -116.1(5) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C18 C13 C14 C15 180.0 . . . . ?
Os2 C13 C14 C15 -65.4(5) . . . . ?
C12 C13 C14 C19 180.0 . . . . ?
C18 C13 C14 C19 0.0 . . . . ?
Os2 C13 C14 C19 114.6(5) . . . . ?
C12 C13 C14 Os2 65.4(5) . . . . ?
C18 C13 C14 Os2 -114.6(5) . . . . ?
C12 C11 C15 C14 0.0 . . . . ?
C16 C11 C15 C14 180.0 . . . . ?
Os2 C11 C15 C14 62.5(5) . . . . ?
C12 C11 C15 C20 180.0 . . . . ?
C16 C11 C15 C20 0.0 . . . . ?
Os2 C11 C15 C20 -117.5(5) . . . . ?
C12 C11 C15 Os2 -62.5(5) . . . . ?
C16 C11 C15 Os2 117.5(5) . . . . ?
C13 C14 C15 C11 0.0 . . . . ?
C19 C14 C15 C11 180.0 . . . . ?
Os2 C14 C15 C11 -64.4(5) . . . . ?
C13 C14 C15 C20 180.0 . . . . ?
C19 C14 C15 C20 0.0 . . . . ?
Os2 C14 C15 C20 115.6(5) . . . . ?
C13 C14 C15 Os2 64.4(5) . . . . ?
C19 C14 C15 Os2 -115.6(5) . . . . ?
B6 B1 B2 B3 -87(3) . . . . ?
Os1 B1 B2 B3 40(3) . . . . ?
Os2 B1 B2 B3 -33(4) . . . . ?
B6 B1 B2 B7 -23(3) . . . . ?
Os1 B1 B2 B7 104(3) . . . . ?
Os2 B1 B2 B7 31(3) . . . . ?
Os1 B1 B2 B6 127(3) . . . . ?
Os2 B1 B2 B6 54(2) . . . . ?
B6 B1 B2 Os1 -127(3) . . . . ?
Os2 B1 B2 Os1 -73.2(17) . . . . ?
B7 B2 B3 B4 -29(3) . . . . ?
B6 B2 B3 B4 9(4) . . . . ?
B1 B2 B3 B4 67(4) . . . . ?
Os1 B2 B3 B4 106(3) . . . . ?
B6 B2 B3 B7 38(3) . . . . ?
B1 B2 B3 B7 96(3) . . . . ?
Os1 B2 B3 B7 135(2) . . . . ?
B7 B2 B3 B8 -91(4) . . . . ?
B6 B2 B3 B8 -54(4) . . . . ?
B1 B2 B3 B8 5(5) . . . . ?
Os1 B2 B3 B8 44(3) . . . . ?
B7 B2 B3 Os1 -135(2) . . . . ?
B6 B2 B3 Os1 -98(2) . . . . ?
B1 B2 B3 Os1 -39(2) . . . . ?
B7 B3 B4 B8 -150(3) . . . . ?
B2 B3 B4 B8 -121(3) . . . . ?
Os1 B3 B4 B8 -47(3) . . . . ?
B7 B3 B4 B5 -42(3) . . . . ?
B2 B3 B4 B5 -13(4) . . . . ?
B8 B3 B4 B5 108(3) . . . . ?
Os1 B3 B4 B5 61(3) . . . . ?
B2 B3 B4 B7 29(3) . . . . ?
B8 B3 B4 B7 150(3) . . . . ?
Os1 B3 B4 B7 103(3) . . . . ?
B7 B3 B4 B10 -107(3) . . . . ?
B2 B3 B4 B10 -78(4) . . . . ?
B8 B3 B4 B10 44(3) . . . . ?
Os1 B3 B4 B10 -4(4) . . . . ?
B8 B4 B5 B7 121(4) . . . . ?
B3 B4 B5 B7 43(3) . . . . ?
B10 B4 B5 B7 147(3) . . . . ?
B8 B4 B5 B10 -26(3) . . . . ?
B3 B4 B5 B10 -103(3) . . . . ?
B7 B4 B5 B10 -147(3) . . . . ?
B8 B4 B5 B6 90(4) . . . . ?
B3 B4 B5 B6 12(4) . . . . ?
B7 B4 B5 B6 -31(3) . . . . ?
B10 B4 B5 B6 116(3) . . . . ?
B8 B4 B5 Os2 16(4) . . . . ?
B3 B4 B5 Os2 -61(3) . . . . ?
B7 B4 B5 Os2 -105(3) . . . . ?
B10 B4 B5 Os2 42(3) . . . . ?
B2 B1 B6 B7 25(3) . . . . ?
Os1 B1 B6 B7 -25(4) . . . . ?
Os2 B1 B6 B7 -100(3) . . . . ?
Os1 B1 B6 B2 -51(2) . . . . ?
Os2 B1 B6 B2 -125(2) . . . . ?
B2 B1 B6 B5 90(3) . . . . ?
Os1 B1 B6 B5 40(4) . . . . ?
Os2 B1 B6 B5 -35(3) . . . . ?
B2 B1 B6 Os2 125(2) . . . . ?
Os1 B1 B6 Os2 74.7(17) . . . . ?
B3 B2 B6 B1 116(3) . . . . ?
B7 B2 B6 B1 154(3) . . . . ?
Os1 B2 B6 B1 47(2) . . . . ?
B3 B2 B6 B7 -38(3) . . . . ?
B1 B2 B6 B7 -154(3) . . . . ?
Os1 B2 B6 B7 -107(3) . . . . ?
B3 B2 B6 B5 0(3) . . . . ?
B7 B2 B6 B5 38(3) . . . . ?
B1 B2 B6 B5 -116(3) . . . . ?
Os1 B2 B6 B5 -69(3) . . . . ?
B3 B2 B6 Os2 66(3) . . . . ?
B7 B2 B6 Os2 104(3) . . . . ?
B1 B2 B6 Os2 -50(2) . . . . ?
Os1 B2 B6 Os2 -3(3) . . . . ?
B7 B5 B6 B1 -105(4) . . . . ?
B4 B5 B6 B1 -72(4) . . . . ?
B10 B5 B6 B1 -3(5) . . . . ?
Os2 B5 B6 B1 35(3) . . . . ?
B4 B5 B6 B7 33(3) . . . . ?
B10 B5 B6 B7 102(4) . . . . ?
Os2 B5 B6 B7 140(3) . . . . ?
B7 B5 B6 B2 -40(3) . . . . ?
B4 B5 B6 B2 -7(4) . . . . ?
B10 B5 B6 B2 62(4) . . . . ?
Os2 B5 B6 B2 100(2) . . . . ?
B7 B5 B6 Os2 -140(3) . . . . ?
B4 B5 B6 Os2 -108(3) . . . . ?
B10 B5 B6 Os2 -38(3) . . . . ?
B4 B5 B7 B6 -146(3) . . . . ?
B10 B5 B7 B6 -113(3) . . . . ?
Os2 B5 B7 B6 -40(3) . . . . ?
B4 B5 B7 B3 -40(3) . . . . ?
B10 B5 B7 B3 -8(4) . . . . ?
B6 B5 B7 B3 105(3) . . . . ?
Os2 B5 B7 B3 65(3) . . . . ?
B10 B5 B7 B4 32(3) . . . . ?
B6 B5 B7 B4 146(3) . . . . ?
Os2 B5 B7 B4 106(3) . . . . ?
B4 B5 B7 B2 -103(3) . . . . ?
B10 B5 B7 B2 -70(4) . . . . ?
B6 B5 B7 B2 43(3) . . . . ?
Os2 B5 B7 B2 3(4) . . . . ?
B1 B6 B7 B5 109(4) . . . . ?
B2 B6 B7 B5 134(3) . . . . ?
Os2 B6 B7 B5 38(2) . . . . ?
B1 B6 B7 B3 15(5) . . . . ?
B2 B6 B7 B3 40(3) . . . . ?
B5 B6 B7 B3 -94(3) . . . . ?
Os2 B6 B7 B3 -56(3) . . . . ?
B1 B6 B7 B4 76(4) . . . . ?
B2 B6 B7 B4 102(3) . . . . ?
B5 B6 B7 B4 -32(3) . . . . ?
Os2 B6 B7 B4 5(4) . . . . ?
B1 B6 B7 B2 -26(3) . . . . ?
B5 B6 B7 B2 -134(3) . . . . ?
Os2 B6 B7 B2 -97(3) . . . . ?
B4 B3 B7 B5 41(3) . . . . ?
B2 B3 B7 B5 -109(3) . . . . ?
B8 B3 B7 B5 16(4) . . . . ?
Os1 B3 B7 B5 -65(3) . . . . ?
B4 B3 B7 B6 109(3) . . . . ?
B2 B3 B7 B6 -41(3) . . . . ?
B8 B3 B7 B6 84(3) . . . . ?
Os1 B3 B7 B6 3(4) . . . . ?
B2 B3 B7 B4 -150(3) . . . . ?
B8 B3 B7 B4 -25(3) . . . . ?
Os1 B3 B7 B4 -107(3) . . . . ?
B4 B3 B7 B2 150(3) . . . . ?
B8 B3 B7 B2 125(3) . . . . ?
Os1 B3 B7 B2 44(2) . . . . ?
B8 B4 B7 B5 -94(4) . . . . ?
B3 B4 B7 B5 -131(3) . . . . ?
B10 B4 B7 B5 -32(3) . . . . ?
B8 B4 B7 B6 -59(5) . . . . ?
B3 B4 B7 B6 -96(3) . . . . ?
B5 B4 B7 B6 35(3) . . . . ?
B10 B4 B7 B6 3(4) . . . . ?
B8 B4 B7 B3 36(4) . . . . ?
B5 B4 B7 B3 131(3) . . . . ?
B10 B4 B7 B3 99(3) . . . . ?
B8 B4 B7 B2 9(5) . . . . ?
B3 B4 B7 B2 -27(3) . . . . ?
B5 B4 B7 B2 103(3) . . . . ?
B10 B4 B7 B2 71(4) . . . . ?
B3 B2 B7 B5 90(3) . . . . ?
B6 B2 B7 B5 -45(3) . . . . ?
B1 B2 B7 B5 -22(4) . . . . ?
Os1 B2 B7 B5 46(4) . . . . ?
B3 B2 B7 B6 135(3) . . . . ?
B1 B2 B7 B6 23(3) . . . . ?
Os1 B2 B7 B6 91(3) . . . . ?
B6 B2 B7 B3 -135(3) . . . . ?
B1 B2 B7 B3 -112(3) . . . . ?
Os1 B2 B7 B3 -44(2) . . . . ?
B3 B2 B7 B4 26(3) . . . . ?
B6 B2 B7 B4 -109(3) . . . . ?
B1 B2 B7 B4 -86(4) . . . . ?
Os1 B2 B7 B4 -17(4) . . . . ?
B3 B4 B8 B10 127(3) . . . . ?
B5 B4 B8 B10 28(3) . . . . ?
B7 B4 B8 B10 94(4) . . . . ?
B3 B4 B8 B9 94(3) . . . . ?
B5 B4 B8 B9 -5(4) . . . . ?
B7 B4 B8 B9 61(5) . . . . ?
B10 B4 B8 B9 -33(3) . . . . ?
B5 B4 B8 B3 -99(4) . . . . ?
B7 B4 B8 B3 -33(3) . . . . ?
B10 B4 B8 B3 -127(3) . . . . ?
B3 B4 B8 Os1 36(2) . . . . ?
B5 B4 B8 Os1 -63(3) . . . . ?
B7 B4 B8 Os1 3(4) . . . . ?
B10 B4 B8 Os1 -91(3) . . . . ?
B4 B8 B9 B10 36(3) . . . . ?
B3 B8 B9 B10 93(3) . . . . ?
Os1 B8 B9 B10 121(3) . . . . ?
B10 B8 B9 Os2 -45(3) . . . . ?
B4 B8 B9 Os2 -8(4) . . . . ?
B3 B8 B9 Os2 49(3) . . . . ?
Os1 B8 B9 Os2 76.8(19) . . . . ?
B10 B8 B9 Os1 -121(3) . . . . ?
B4 B8 B9 Os1 -85(3) . . . . ?
B3 B8 B9 Os1 -28(2) . . . . ?
B4 B8 B10 B9 -144(3) . . . . ?
B3 B8 B10 B9 -103(3) . . . . ?
Os1 B8 B10 B9 -46(2) . . . . ?
B9 B8 B10 B4 144(3) . . . . ?
B3 B8 B10 B4 41(2) . . . . ?
Os1 B8 B10 B4 98(2) . . . . ?
B4 B8 B10 B5 -26(3) . . . . ?
B9 B8 B10 B5 118(4) . . . . ?
B3 B8 B10 B5 15(3) . . . . ?
Os1 B8 B10 B5 72(3) . . . . ?
B4 B8 B10 Os2 -98(3) . . . . ?
B9 B8 B10 Os2 45(3) . . . . ?
B3 B8 B10 Os2 -58(3) . . . . ?
Os1 B8 B10 Os2 -1(3) . . . . ?
Os2 B9 B10 B8 136(3) . . . . ?
Os1 B9 B10 B8 64(3) . . . . ?
B8 B9 B10 B4 -33(3) . . . . ?
Os2 B9 B10 B4 103(3) . . . . ?
Os1 B9 B10 B4 31(4) . . . . ?
B8 B9 B10 B5 -98(4) . . . . ?
Os2 B9 B10 B5 39(3) . . . . ?
Os1 B9 B10 B5 -33(4) . . . . ?
B8 B9 B10 Os2 -136(3) . . . . ?
Os1 B9 B10 Os2 -71.9(18) . . . . ?
B3 B4 B10 B8 -54(3) . . . . ?
B5 B4 B10 B8 -150(4) . . . . ?
B7 B4 B10 B8 -119(4) . . . . ?
B8 B4 B10 B9 36(3) . . . . ?
B3 B4 B10 B9 -18(5) . . . . ?
B5 B4 B10 B9 -114(4) . . . . ?
B7 B4 B10 B9 -84(4) . . . . ?
B8 B4 B10 B5 150(4) . . . . ?
B3 B4 B10 B5 96(4) . . . . ?
B7 B4 B10 B5 31(3) . . . . ?
B8 B4 B10 Os2 109(3) . . . . ?
B3 B4 B10 Os2 56(4) . . . . ?
B5 B4 B10 Os2 -41(2) . . . . ?
B7 B4 B10 Os2 -10(4) . . . . ?
B7 B5 B10 B8 -6(4) . . . . ?
B4 B5 B10 B8 27(3) . . . . ?
B6 B5 B10 B8 -73(4) . . . . ?
Os2 B5 B10 B8 -111(3) . . . . ?
B7 B5 B10 B9 67(4) . . . . ?
B4 B5 B10 B9 99(4) . . . . ?
B6 B5 B10 B9 0(5) . . . . ?
Os2 B5 B10 B9 -39(3) . . . . ?
B7 B5 B10 B4 -33(3) . . . . ?
B6 B5 B10 B4 -99(4) . . . . ?
Os2 B5 B10 B4 -138(3) . . . . ?
B7 B5 B10 Os2 105(3) . . . . ?
B4 B5 B10 Os2 138(3) . . . . ?
B6 B5 B10 Os2 39(3) . . . . ?

_refine_diff_density_max         2.549
_refine_diff_density_min         -2.438
_refine_diff_density_rms         0.308


# start Validation Reply Form
_vrf_PLAT342_OS2                 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02035 Ang.  
RESPONSE: The accuracies in C-C bond are low due to disorder in 
cyclopentadienyl moiety.

;
_vrf_PLAT971_OS2                 
;
PROBLEM: Check Calcd Resid. Dens.  0.95Ang From Os1             2.79 eA-3  
RESPONSE:These are Fourier truncation ripples around the heavy atom 
;
_vrf_PLAT972_OS2                 
;
PROBLEM: Check Calcd Resid. Dens.  0.90Ang From Os2            -2.60 eA-3  
RESPONSE: These are Fourier truncation ripples around the heavy atom 
;
# end Validation Reply Form

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_OS4
_database_code_depnum_ccdc_archive 'CCDC 2300469'
loop_
_audit_author_name
_audit_author_address
'Dr. P. K. SUDHADEVI ANTHARJANAM'
;SAIF, Indian Institute of Technology Madras
India
;
_audit_update_record             
;
2023-10-11 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H38 B8 Os2'
_chemical_formula_sum            'C20 H38 B8 Os2'
_chemical_formula_weight         745.38

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   9.172(3)
_cell_length_b                   15.337(5)
_cell_length_c                   19.588(6)
_cell_angle_alpha                90
_cell_angle_beta                 103.464(10)
_cell_angle_gamma                90
_cell_volume                     2679.6(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)

_cell_measurement_reflns_used    8646
_cell_measurement_theta_min      2.86
_cell_measurement_theta_max      28.31
_exptl_crystal_description       block
_exptl_crystal_colour            orange


_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_F_000             1400
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.402
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.045
_exptl_absorpt_coefficient_mu    9.480
_shelx_estimated_absorpt_T_min   0.115
_shelx_estimated_absorpt_T_max   0.675
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.3214
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_measurement_device_type  
'Bruker D8 VENTURE diffractometer equipped with PHOTON II detector'
_diffrn_measurement_method       'ω and φ scan'


_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30383
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.656
_diffrn_reflns_theta_max         28.324
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_point_group_measured_fraction_full 0.919
_reflns_number_total             5967
_reflns_number_gt                5650
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.796
_reflns_Friedel_fraction_max     0.796
_reflns_Friedel_fraction_full    0.841

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       'APEX4 (Bruker, v2021.4-0)'
_computing_cell_refinement       'APEX4 V8.40B (Bruker, 2021)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2021)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2019/3 (Sheldrick, 2019)'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+30.1736P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.09(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5967
_refine_ls_number_parameters     345
_refine_ls_number_restraints     518
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0343
_refine_ls_wR_factor_ref         0.0771
_refine_ls_wR_factor_gt          0.0740
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001

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 0.34106(6) 0.34201(3) 0.57904(3) 0.04810(14) Uani 1 1 d . . . . .
Os2 Os 0.26942(5) 0.40799(3) 0.43612(3) 0.04810(14) Uani 1 1 d . . . . .
C1 C 0.3217(15) 0.5364(8) 0.3890(6) 0.045(3) Uani 1 1 d . U . . .
C2 C 0.2181(17) 0.4870(10) 0.3375(7) 0.049(3) Uani 1 1 d . U . . .
C3 C 0.2897(17) 0.4100(9) 0.3231(6) 0.051(3) Uani 1 1 d . U . . .
C4 C 0.4361(16) 0.4087(9) 0.3674(7) 0.047(3) Uani 1 1 d . U . . .
C5 C 0.4581(15) 0.4882(9) 0.4075(6) 0.046(3) Uani 1 1 d . U . . .
C6 C 0.298(2) 0.6257(10) 0.4136(10) 0.077(5) Uani 1 1 d . U . . .
H6A H 0.196425 0.643569 0.393728 0.116 Uiso 1 1 calc R U . . .
H6B H 0.315553 0.625945 0.463918 0.116 Uiso 1 1 calc R U . . .
H6C H 0.365735 0.665413 0.399189 0.116 Uiso 1 1 calc R U . . .
C7 C 0.067(2) 0.5179(16) 0.2970(12) 0.103(7) Uani 1 1 d . U . . .
H7A H 0.042476 0.571691 0.316652 0.155 Uiso 1 1 calc R U . . .
H7B H 0.069843 0.526868 0.248796 0.155 Uiso 1 1 calc R U . . .
H7C H -0.007212 0.474768 0.299641 0.155 Uiso 1 1 calc R U . . .
C8 C 0.230(3) 0.3468(12) 0.2659(10) 0.085(6) Uani 1 1 d . U . . .
H8A H 0.300994 0.300192 0.267682 0.128 Uiso 1 1 calc R U . . .
H8B H 0.136830 0.323579 0.271739 0.128 Uiso 1 1 calc R U . . .
H8C H 0.214963 0.375839 0.221392 0.128 Uiso 1 1 calc R U . . .
C9 C 0.557(3) 0.3429(15) 0.3643(14) 0.106(8) Uani 1 1 d . U . . .
H9A H 0.645228 0.356118 0.399685 0.159 Uiso 1 1 calc R U . . .
H9B H 0.521907 0.285523 0.372218 0.159 Uiso 1 1 calc R U . . .
H9C H 0.579159 0.345018 0.318831 0.159 Uiso 1 1 calc R U . . .
C10 C 0.5989(19) 0.5197(13) 0.4534(9) 0.078(5) Uani 1 1 d . U . . .
H10A H 0.674368 0.475411 0.457785 0.117 Uiso 1 1 calc R U . . .
H10B H 0.631408 0.571276 0.433389 0.117 Uiso 1 1 calc R U . . .
H10C H 0.582532 0.533134 0.498898 0.117 Uiso 1 1 calc R U . . .
C11 C 0.4399(15) 0.2145(8) 0.6258(6) 0.045(3) Uani 1 1 d . U . . .
C12 C 0.5573(15) 0.2622(9) 0.6074(6) 0.046(3) Uani 1 1 d . U . . .
C13 C 0.5767(16) 0.3411(9) 0.6470(7) 0.050(3) Uani 1 1 d . U . . .
C14 C 0.4738(16) 0.3404(8) 0.6919(6) 0.049(3) Uani 1 1 d . U . . .
C15 C 0.3887(17) 0.2640(10) 0.6777(7) 0.050(3) Uani 1 1 d . U . . .
C16 C 0.391(2) 0.1232(10) 0.6014(10) 0.077(5) Uani 1 1 d . U . . .
H16A H 0.308929 0.105734 0.621276 0.116 Uiso 1 1 calc R U . . .
H16B H 0.358878 0.122376 0.551103 0.116 Uiso 1 1 calc R U . . .
H16C H 0.473007 0.083603 0.616297 0.116 Uiso 1 1 calc R U . . .
C17 C 0.654(2) 0.2299(13) 0.5609(9) 0.076(5) Uani 1 1 d . U . . .
H17A H 0.725046 0.274078 0.556484 0.114 Uiso 1 1 calc R U . . .
H17B H 0.706038 0.178319 0.581036 0.114 Uiso 1 1 calc R U . . .
H17C H 0.592189 0.216395 0.515438 0.114 Uiso 1 1 calc R U . . .
C18 C 0.701(3) 0.4068(15) 0.6501(14) 0.105(7) Uani 1 1 d . U . . .
H18A H 0.689267 0.454140 0.680389 0.157 Uiso 1 1 calc R U . . .
H18B H 0.796496 0.379124 0.668176 0.157 Uiso 1 1 calc R U . . .
H18C H 0.697585 0.428769 0.603861 0.157 Uiso 1 1 calc R U . . .
C19 C 0.470(3) 0.4038(11) 0.7481(10) 0.084(6) Uani 1 1 d . U . . .
H19A H 0.539124 0.450306 0.746478 0.127 Uiso 1 1 calc R U . . .
H19B H 0.370529 0.427144 0.741614 0.127 Uiso 1 1 calc R U . . .
H19C H 0.497696 0.375256 0.792916 0.127 Uiso 1 1 calc R U . . .
C20 C 0.280(3) 0.2307(15) 0.7181(12) 0.102(7) Uani 1 1 d . U . . .
H20A H 0.236274 0.177077 0.697568 0.153 Uiso 1 1 calc R U . . .
H20B H 0.331268 0.220577 0.766010 0.153 Uiso 1 1 calc R U . . .
H20C H 0.201987 0.273045 0.716532 0.153 Uiso 1 1 calc R U . . .
B1 B 0.015(4) 0.396(2) 0.407(2) 0.054(8) Uani 0.472(19) 1 d . U P A 1
H1 H -0.057031 0.417631 0.356711 0.065 Uiso 0.472(19) 1 calc R U P A 1
B2 B -0.017(4) 0.342(2) 0.4821(19) 0.053(7) Uani 0.472(19) 1 d . U P A 1
H2 H -0.130775 0.321857 0.483529 0.064 Uiso 0.472(19) 1 calc R U P A 1
B3 B 0.099(3) 0.292(2) 0.4306(16) 0.047(6) Uani 0.472(19) 1 d . U P A 1
H3 H 0.059171 0.241172 0.390808 0.056 Uiso 0.472(19) 1 calc R U P A 1
B4 B 0.051(5) 0.451(3) 0.483(2) 0.054(7) Uani 0.472(19) 1 d . U P A 1
H4 H -0.016536 0.510156 0.480827 0.065 Uiso 0.472(19) 1 calc R U P A 1
B5 B 0.141(4) 0.278(2) 0.5240(18) 0.046(7) Uani 0.472(19) 1 d . U P A 1
H5 H 0.120124 0.216995 0.549751 0.055 Uiso 0.472(19) 1 calc R U P A 1
B6 B 0.107(4) 0.382(2) 0.560(2) 0.053(6) Uani 0.472(19) 1 d . U P A 1
H6 H 0.065089 0.390171 0.607649 0.063 Uiso 0.472(19) 1 calc R U P A 1
B7 B 0.300(4) 0.276(2) 0.4753(16) 0.046(7) Uani 0.472(19) 1 d . U P A 1
H7 H 0.382821 0.231720 0.461873 0.055 Uiso 0.472(19) 1 calc R U P A 1
B8 B 0.234(5) 0.4579(19) 0.5331(16) 0.045(6) Uani 0.472(19) 1 d . U P A 1
H8 H 0.287980 0.520069 0.552028 0.054 Uiso 0.472(19) 1 calc R U P A 1
B1' B 0.177(3) 0.457(2) 0.5845(15) 0.052(6) Uani 0.528(19) 1 d . U P A 2
H1' H 0.179103 0.507063 0.624764 0.062 Uiso 0.528(19) 1 calc R U P A 2
B2' B 0.111(4) 0.355(3) 0.606(2) 0.061(7) Uani 0.528(19) 1 d . U P A 2
H2' H 0.085961 0.334624 0.655969 0.073 Uiso 0.528(19) 1 calc R U P A 2
B3' B 0.007(4) 0.405(2) 0.5305(19) 0.060(7) Uani 0.528(19) 1 d . U P A 2
H3' H -0.109896 0.424696 0.527446 0.072 Uiso 0.528(19) 1 calc R U P A 2
B4' B 0.210(5) 0.291(2) 0.4800(17) 0.059(7) Uani 0.528(19) 1 d . U P A 2
H4' H 0.244926 0.229470 0.459706 0.070 Uiso 0.528(19) 1 calc R U P A 2
B5' B 0.076(5) 0.297(3) 0.533(2) 0.058(7) Uani 0.528(19) 1 d . U P A 2
H5' H 0.014590 0.236212 0.536754 0.069 Uiso 0.528(19) 1 calc R U P A 2
B6' B 0.331(4) 0.474(2) 0.5437(19) 0.054(7) Uani 0.528(19) 1 d . U P A 2
H6' H 0.425682 0.519843 0.559279 0.065 Uiso 0.528(19) 1 calc R U P A 2
B7' B 0.054(4) 0.368(2) 0.4553(17) 0.055(6) Uani 0.528(19) 1 d . U P A 2
H7' H -0.035625 0.360393 0.407543 0.067 Uiso 0.528(19) 1 calc R U P A 2
B8' B 0.123(4) 0.471(2) 0.4901(17) 0.049(6) Uani 0.528(19) 1 d . U P A 2
H8' H 0.075576 0.531590 0.463681 0.058 Uiso 0.528(19) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 B8 2.13(3) . ?
Os1 B5 2.14(4) . ?
Os1 B6' 2.14(3) . ?
Os1 B4' 2.18(3) . ?
Os1 B6 2.18(4) . ?
Os1 B7 2.22(4) . ?
Os1 C15 2.228(13) . ?
Os1 C11 2.258(11) . ?
Os1 C13 2.259(13) . ?
Os1 C14 2.263(12) . ?
Os1 C12 2.287(12) . ?
Os1 B2' 2.30(3) . ?
Os2 B4' 2.12(3) . ?
Os2 B8' 2.13(3) . ?
Os2 B8 2.14(3) . ?
Os2 B7 2.16(3) . ?
Os2 B7' 2.18(3) . ?
Os2 C2 2.236(13) . ?
Os2 C4 2.259(12) . ?
Os2 C3 2.264(12) . ?
Os2 C1 2.273(11) . ?
Os2 B1 2.28(3) . ?
Os2 B6' 2.29(4) . ?
Os2 C5 2.297(12) . ?
C1 C5 1.426(19) . ?
C1 C2 1.432(18) . ?
C1 C6 1.49(2) . ?
C2 C3 1.41(2) . ?
C2 C7 1.50(2) . ?
C3 C4 1.42(2) . ?
C3 C8 1.486(19) . ?
C4 C5 1.437(18) . ?
C4 C9 1.51(2) . ?
C5 C10 1.47(2) . ?
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 C12 1.416(19) . ?
C11 C15 1.433(18) . ?
C11 C16 1.51(2) . ?
C12 C13 1.425(19) . ?
C12 C17 1.494(19) . ?
C13 C14 1.43(2) . ?
C13 C18 1.51(2) . ?
C14 C15 1.40(2) . ?
C14 C19 1.476(19) . ?
C15 C20 1.50(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 B4 1.68(6) . ?
B1 B2 1.77(5) . ?
B1 B3 1.78(5) . ?
B1 H1 1.1000 . ?
B2 B4 1.77(6) . ?
B2 B6 1.78(5) . ?
B2 B5 1.78(5) . ?
B2 B3 1.80(5) . ?
B2 H2 1.1000 . ?
B3 B5 1.79(5) . ?
B3 B7 1.86(5) . ?
B3 H3 1.1000 . ?
B4 B8 1.73(6) . ?
B4 B6 1.80(5) . ?
B4 H4 1.1000 . ?
B5 B6 1.80(5) . ?
B5 B7 1.92(5) . ?
B5 H5 1.1000 . ?
B6 B8 1.80(5) . ?
B6 H6 1.1000 . ?
B7 H7 1.1000 . ?
B8 H8 1.1000 . ?
B1' B2' 1.76(5) . ?
B1' B6' 1.79(4) . ?
B1' B8' 1.81(4) . ?
B1' B3' 1.85(5) . ?
B1' H1' 1.1000 . ?
B2' B5' 1.66(6) . ?
B2' B3' 1.74(5) . ?
B2' H2' 1.1000 . ?
B3' B7' 1.73(5) . ?
B3' B8' 1.78(5) . ?
B3' B5' 1.78(5) . ?
B3' H3' 1.1000 . ?
B4' B5' 1.78(6) . ?
B4' B7' 1.83(5) . ?
B4' H4' 1.1000 . ?
B5' B7' 1.84(5) . ?
B5' H5' 1.1000 . ?
B6' B8' 1.95(5) . ?
B6' H6' 1.1000 . ?
B7' B8' 1.78(5) . ?
B7' H7' 1.1000 . ?
B8' H8' 1.1000 . ?

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
B8 Os1 B5 85.0(14) . . ?
B6' Os1 B4' 94.6(14) . . ?
B8 Os1 B6 49.5(14) . . ?
B5 Os1 B6 49.3(15) . . ?
B8 Os1 B7 91.6(12) . . ?
B5 Os1 B7 52.1(13) . . ?
B6 Os1 B7 91.0(15) . . ?
B8 Os1 C15 142.5(9) . . ?
B5 Os1 C15 99.4(10) . . ?
B6' Os1 C15 140.8(12) . . ?
B4' Os1 C15 122.4(10) . . ?
B6 Os1 C15 106.8(10) . . ?
B7 Os1 C15 120.5(8) . . ?
B8 Os1 C11 176.1(12) . . ?
B5 Os1 C11 91.3(10) . . ?
B6' Os1 C11 159.4(10) . . ?
B4' Os1 C11 97.8(10) . . ?
B6 Os1 C11 126.9(10) . . ?
B7 Os1 C11 86.8(9) . . ?
C15 Os1 C11 37.2(5) . . ?
B8 Os1 C13 122.7(11) . . ?
B5 Os1 C13 152.2(10) . . ?
B6' Os1 C13 99.2(11) . . ?
B4' Os1 C13 141.1(13) . . ?
B6 Os1 C13 150.8(11) . . ?
B7 Os1 C13 118.2(11) . . ?
C15 Os1 C13 61.2(5) . . ?
C11 Os1 C13 61.1(5) . . ?
B8 Os1 C14 120.9(9) . . ?
B5 Os1 C14 133.7(10) . . ?
B6' Os1 C14 107.4(12) . . ?
B4' Os1 C14 158.0(9) . . ?
B6 Os1 C14 117.2(11) . . ?
B7 Os1 C14 145.9(10) . . ?
C15 Os1 C14 36.3(5) . . ?
C11 Os1 C14 61.3(4) . . ?
C13 Os1 C14 37.0(5) . . ?
B8 Os1 C12 147.2(11) . . ?
B5 Os1 C12 118.0(11) . . ?
B6' Os1 C12 123.8(10) . . ?
B4' Os1 C12 107.0(12) . . ?
B6 Os1 C12 163.1(10) . . ?
B7 Os1 C12 86.2(10) . . ?
C15 Os1 C12 61.2(5) . . ?
C11 Os1 C12 36.3(5) . . ?
C13 Os1 C12 36.5(5) . . ?
C14 Os1 C12 61.1(4) . . ?
B6' Os1 B2' 91.1(13) . . ?
B4' Os1 B2' 83.7(16) . . ?
C15 Os1 B2' 81.5(11) . . ?
C11 Os1 B2' 106.5(10) . . ?
C13 Os1 B2' 131.9(11) . . ?
C14 Os1 B2' 95.1(11) . . ?
C12 Os1 B2' 141.3(10) . . ?
B4' Os2 B8' 86.0(15) . . ?
B8 Os2 B7 93.0(13) . . ?
B4' Os2 B7' 50.3(15) . . ?
B8' Os2 B7' 48.8(13) . . ?
B4' Os2 C2 142.0(9) . . ?
B8' Os2 C2 98.8(9) . . ?
B8 Os2 C2 121.8(9) . . ?
B7 Os2 C2 143.0(10) . . ?
B7' Os2 C2 106.6(9) . . ?
B4' Os2 C4 121.4(13) . . ?
B8' Os2 C4 152.5(9) . . ?
B8 Os2 C4 142.3(11) . . ?
B7 Os2 C4 99.6(11) . . ?
B7' Os2 C4 150.3(10) . . ?
C2 Os2 C4 61.2(5) . . ?
B4' Os2 C3 119.8(10) . . ?
B8' Os2 C3 133.2(9) . . ?
B8 Os2 C3 157.8(8) . . ?
B7 Os2 C3 109.1(11) . . ?
B7' Os2 C3 117.1(9) . . ?
C2 Os2 C3 36.5(5) . . ?
C4 Os2 C3 36.6(5) . . ?
B4' Os2 C1 177.0(13) . . ?
B8' Os2 C1 91.4(9) . . ?
B8 Os2 C1 98.1(9) . . ?
B7 Os2 C1 159.1(11) . . ?
B7' Os2 C1 126.8(10) . . ?
C2 Os2 C1 37.0(5) . . ?
C4 Os2 C1 61.2(5) . . ?
C3 Os2 C1 61.2(5) . . ?
B8 Os2 B1 83.9(15) . . ?
B7 Os2 B1 92.9(14) . . ?
C2 Os2 B1 80.3(11) . . ?
C4 Os2 B1 130.3(11) . . ?
C3 Os2 B1 93.9(11) . . ?
C1 Os2 B1 105.7(10) . . ?
B4' Os2 B6' 92.1(12) . . ?
B8' Os2 B6' 52.3(12) . . ?
B7' Os2 B6' 90.3(13) . . ?
C2 Os2 B6' 120.7(8) . . ?
C4 Os2 B6' 119.3(10) . . ?
C3 Os2 B6' 146.6(9) . . ?
C1 Os2 B6' 87.6(9) . . ?
B4' Os2 C5 146.6(12) . . ?
B8' Os2 C5 118.5(10) . . ?
B8 Os2 C5 107.8(11) . . ?
B7 Os2 C5 123.1(11) . . ?
B7' Os2 C5 163.0(10) . . ?
C2 Os2 C5 61.2(5) . . ?
C4 Os2 C5 36.8(5) . . ?
C3 Os2 C5 61.0(4) . . ?
C1 Os2 C5 36.4(5) . . ?
B1 Os2 C5 140.3(10) . . ?
B6' Os2 C5 87.0(9) . . ?
C5 C1 C2 107.6(11) . . ?
C5 C1 C6 125.7(13) . . ?
C2 C1 C6 126.4(14) . . ?
C5 C1 Os2 72.7(7) . . ?
C2 C1 Os2 70.1(7) . . ?
C6 C1 Os2 127.3(10) . . ?
C3 C2 C1 108.7(13) . . ?
C3 C2 C7 124.9(15) . . ?
C1 C2 C7 125.7(15) . . ?
C3 C2 Os2 72.8(8) . . ?
C1 C2 Os2 72.9(7) . . ?
C7 C2 Os2 127.6(13) . . ?
C2 C3 C4 107.9(11) . . ?
C2 C3 C8 126.2(15) . . ?
C4 C3 C8 125.5(15) . . ?
C2 C3 Os2 70.6(7) . . ?
C4 C3 Os2 71.5(7) . . ?
C8 C3 Os2 129.0(11) . . ?
C3 C4 C5 108.3(12) . . ?
C3 C4 C9 125.6(16) . . ?
C5 C4 C9 125.4(16) . . ?
C3 C4 Os2 71.9(7) . . ?
C5 C4 Os2 73.0(7) . . ?
C9 C4 Os2 128.6(12) . . ?
C1 C5 C4 107.3(11) . . ?
C1 C5 C10 125.2(14) . . ?
C4 C5 C10 127.1(15) . . ?
C1 C5 Os2 70.9(7) . . ?
C4 C5 Os2 70.2(7) . . ?
C10 C5 Os2 129.1(10) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C15 107.5(11) . . ?
C12 C11 C16 125.9(13) . . ?
C15 C11 C16 126.3(14) . . ?
C12 C11 Os1 72.9(7) . . ?
C15 C11 Os1 70.2(7) . . ?
C16 C11 Os1 127.7(10) . . ?
C11 C12 C13 107.9(11) . . ?
C11 C12 C17 125.2(14) . . ?
C13 C12 C17 126.6(15) . . ?
C11 C12 Os1 70.8(7) . . ?
C13 C12 Os1 70.7(7) . . ?
C17 C12 Os1 129.2(10) . . ?
C12 C13 C14 108.1(12) . . ?
C12 C13 C18 125.8(16) . . ?
C14 C13 C18 125.4(15) . . ?
C12 C13 Os1 72.8(7) . . ?
C14 C13 Os1 71.7(8) . . ?
C18 C13 Os1 129.0(13) . . ?
C15 C14 C13 107.5(11) . . ?
C15 C14 C19 126.2(14) . . ?
C13 C14 C19 125.9(15) . . ?
C15 C14 Os1 70.5(8) . . ?
C13 C14 Os1 71.4(7) . . ?
C19 C14 Os1 128.4(11) . . ?
C14 C15 C11 109.0(12) . . ?
C14 C15 C20 126.1(15) . . ?
C11 C15 C20 124.1(15) . . ?
C14 C15 Os1 73.2(8) . . ?
C11 C15 Os1 72.5(7) . . ?
C20 C15 Os1 128.3(13) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 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 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
B4 B1 B2 62(2) . . ?
B4 B1 B3 103(3) . . ?
B2 B1 B3 61(2) . . ?
B4 B1 Os2 75.8(19) . . ?
B2 B1 Os2 101(2) . . ?
B3 B1 Os2 69.7(15) . . ?
B4 B1 H1 126.5 . . ?
B2 B1 H1 135.2 . . ?
B3 B1 H1 129.8 . . ?
Os2 B1 H1 124.2 . . ?
B1 B2 B4 57(2) . . ?
B1 B2 B6 111(2) . . ?
B4 B2 B6 61(2) . . ?
B1 B2 B5 112(2) . . ?
B4 B2 B5 106(2) . . ?
B6 B2 B5 61(2) . . ?
B1 B2 B3 60.0(19) . . ?
B4 B2 B3 99(2) . . ?
B6 B2 B3 107(2) . . ?
B5 B2 B3 60.0(19) . . ?
B1 B2 H2 119.5 . . ?
B4 B2 H2 126.8 . . ?
B6 B2 H2 119.7 . . ?
B5 B2 H2 120.3 . . ?
B3 B2 H2 125.4 . . ?
B1 B3 B5 111(3) . . ?
B1 B3 B2 59(2) . . ?
B5 B3 B2 60(2) . . ?
B1 B3 B7 124(2) . . ?
B5 B3 B7 63.2(19) . . ?
B2 B3 B7 116(2) . . ?
B1 B3 Os2 65.2(15) . . ?
B5 B3 Os2 93.4(17) . . ?
B2 B3 Os2 96.9(18) . . ?
B7 B3 Os2 60.0(13) . . ?
B1 B3 H3 113.3 . . ?
B5 B3 H3 126.6 . . ?
B2 B3 H3 124.3 . . ?
B7 B3 H3 111.6 . . ?
Os2 B3 H3 132.2 . . ?
B1 B4 B8 120(3) . . ?
B1 B4 B2 61(2) . . ?
B8 B4 B2 111(3) . . ?
B1 B4 B6 114(3) . . ?
B8 B4 B6 61(2) . . ?
B2 B4 B6 60(2) . . ?
B1 B4 Os2 63.1(18) . . ?
B8 B4 Os2 58.0(15) . . ?
B2 B4 Os2 93(2) . . ?
B6 B4 Os2 93(2) . . ?
B1 B4 H4 112.6 . . ?
B8 B4 H4 115.6 . . ?
B2 B4 H4 125.9 . . ?
B6 B4 H4 124.6 . . ?
Os2 B4 H4 134.3 . . ?
B2 B5 B3 60.3(19) . . ?
B2 B5 B6 59(2) . . ?
B3 B5 B6 106(2) . . ?
B2 B5 B7 114(2) . . ?
B3 B5 B7 60.2(18) . . ?
B6 B5 B7 115(2) . . ?
B2 B5 Os1 119(2) . . ?
B3 B5 Os1 115(2) . . ?
B6 B5 Os1 66.6(16) . . ?
B7 B5 Os1 66.2(15) . . ?
B2 B5 H5 118.1 . . ?
B3 B5 H5 123.4 . . ?
B6 B5 H5 120.6 . . ?
B7 B5 H5 116.9 . . ?
Os1 B5 H5 112.3 . . ?
B2 B6 B4 59(2) . . ?
B2 B6 B5 60(2) . . ?
B4 B6 B5 104(3) . . ?
B2 B6 B8 107(2) . . ?
B4 B6 B8 57(2) . . ?
B5 B6 B8 106(2) . . ?
B2 B6 Os1 117(2) . . ?
B4 B6 Os1 113(2) . . ?
B5 B6 Os1 64.1(16) . . ?
B8 B6 Os1 63.6(15) . . ?
B2 B6 H6 119.4 . . ?
B4 B6 H6 123.9 . . ?
B5 B6 H6 123.9 . . ?
B8 B6 H6 123.3 . . ?
Os1 B6 H6 114.0 . . ?
B3 B7 B5 56.6(18) . . ?
B3 B7 Os2 71.4(15) . . ?
B5 B7 Os2 97(2) . . ?
B3 B7 Os1 108(2) . . ?
B5 B7 Os1 61.7(16) . . ?
Os2 B7 Os1 83.1(14) . . ?
B3 B7 H7 129.2 . . ?
B5 B7 H7 140.8 . . ?
Os2 B7 H7 122.5 . . ?
Os1 B7 H7 121.3 . . ?
B4 B8 B6 61(2) . . ?
B4 B8 Os1 118(2) . . ?
B6 B8 Os1 66.9(15) . . ?
B4 B8 Os2 78.8(19) . . ?
B6 B8 Os2 106(2) . . ?
Os1 B8 Os2 85.7(11) . . ?
B4 B8 H8 123.3 . . ?
B6 B8 H8 137.2 . . ?
Os1 B8 H8 116.9 . . ?
Os2 B8 H8 117.2 . . ?
B2' B1' B6' 126(2) . . ?
B2' B1' B8' 109(2) . . ?
B6' B1' B8' 65.6(19) . . ?
B2' B1' B3' 57.8(19) . . ?
B6' B1' B3' 117(2) . . ?
B8' B1' B3' 58.1(19) . . ?
B2' B1' Os1 66.6(14) . . ?
B6' B1' Os1 60.9(13) . . ?
B8' B1' Os1 94.2(16) . . ?
B3' B1' Os1 96.8(17) . . ?
B2' B1' H1' 113.3 . . ?
B6' B1' H1' 109.4 . . ?
B8' B1' H1' 127.0 . . ?
B3' B1' H1' 125.4 . . ?
Os1 B1' H1' 131.2 . . ?
B5' B2' B3' 63(2) . . ?
B5' B2' B1' 106(3) . . ?
B3' B2' B1' 64(2) . . ?
B5' B2' Os1 75.9(19) . . ?
B3' B2' Os1 101(2) . . ?
B1' B2' Os1 68.7(14) . . ?
B5' B2' H2' 125.3 . . ?
B3' B2' H2' 133.8 . . ?
B1' B2' H2' 128.4 . . ?
Os1 B2' H2' 125.0 . . ?
B7' B3' B2' 112(2) . . ?
B7' B3' B8' 61.0(19) . . ?
B2' B3' B8' 111(3) . . ?
B7' B3' B5' 63(2) . . ?
B2' B3' B5' 56(2) . . ?
B8' B3' B5' 107(2) . . ?
B7' B3' B1' 106(2) . . ?
B2' B3' B1' 58.7(19) . . ?
B8' B3' B1' 59.9(19) . . ?
B5' B3' B1' 98(2) . . ?
B7' B3' H3' 118.5 . . ?
B2' B3' H3' 120.0 . . ?
B8' B3' H3' 119.9 . . ?
B5' B3' H3' 126.2 . . ?
B1' B3' H3' 126.9 . . ?
B5' B4' B7' 61(2) . . ?
B5' B4' Os2 118(2) . . ?
B7' B4' Os2 66.7(15) . . ?
B5' B4' Os1 77.1(18) . . ?
B7' B4' Os1 104(2) . . ?
Os2 B4' Os1 85.1(11) . . ?
B5' B4' H4' 123.6 . . ?
B7' B4' H4' 137.4 . . ?
Os2 B4' H4' 117.0 . . ?
Os1 B4' H4' 118.8 . . ?
B2' B5' B4' 121(3) . . ?
B2' B5' B3' 61(2) . . ?
B4' B5' B3' 109(2) . . ?
B2' B5' B7' 111(3) . . ?
B4' B5' B7' 61(2) . . ?
B3' B5' B7' 57(2) . . ?
B2' B5' Os1 63.8(17) . . ?
B4' B5' Os1 58.7(15) . . ?
B3' B5' Os1 93.5(19) . . ?
B7' B5' Os1 92.6(18) . . ?
B2' B5' H5' 113.0 . . ?
B4' B5' H5' 115.7 . . ?
B3' B5' H5' 127.3 . . ?
B7' B5' H5' 127.0 . . ?
Os1 B5' H5' 133.1 . . ?
B1' B6' B8' 57.7(17) . . ?
B1' B6' Os1 72.1(15) . . ?
B8' B6' Os1 96.5(19) . . ?
B1' B6' Os2 107(2) . . ?
B8' B6' Os2 59.6(15) . . ?
Os1 B6' Os2 81.8(14) . . ?
B1' B6' H6' 128.6 . . ?
B8' B6' H6' 140.9 . . ?
Os1 B6' H6' 122.6 . . ?
Os2 B6' H6' 123.1 . . ?
B3' B7' B8' 61(2) . . ?
B3' B7' B4' 109(2) . . ?
B8' B7' B4' 107(2) . . ?
B3' B7' B5' 60(2) . . ?
B8' B7' B5' 105(2) . . ?
B4' B7' B5' 58(2) . . ?
B3' B7' Os2 118(2) . . ?
B8' B7' Os2 64.1(15) . . ?
B4' B7' Os2 63.0(15) . . ?
B5' B7' Os2 112(2) . . ?
B3' B7' H7' 118.2 . . ?
B8' B7' H7' 123.2 . . ?
B4' B7' H7' 122.7 . . ?
B5' B7' H7' 123.7 . . ?
Os2 B7' H7' 114.3 . . ?
B3' B8' B7' 58(2) . . ?
B3' B8' B1' 61.9(19) . . ?
B7' B8' B1' 106(2) . . ?
B3' B8' B6' 113(2) . . ?
B7' B8' B6' 116(2) . . ?
B1' B8' B6' 56.7(17) . . ?
B3' B8' Os2 118(2) . . ?
B7' B8' Os2 67.2(15) . . ?
B1' B8' Os2 113.3(19) . . ?
B6' B8' Os2 68.1(16) . . ?
B3' B8' H8' 118.5 . . ?
B7' B8' H8' 120.3 . . ?
B1' B8' H8' 124.6 . . ?
B6' B8' H8' 117.3 . . ?
Os2 B8' H8' 112.0 . . ?

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 -1.1(14) . . . . ?
C6 C1 C2 C3 173.2(13) . . . . ?
Os2 C1 C2 C3 -64.5(9) . . . . ?
C5 C1 C2 C7 -172.2(16) . . . . ?
C6 C1 C2 C7 2(2) . . . . ?
Os2 C1 C2 C7 124.4(17) . . . . ?
C5 C1 C2 Os2 63.4(8) . . . . ?
C6 C1 C2 Os2 -122.3(13) . . . . ?
C1 C2 C3 C4 2.4(14) . . . . ?
C7 C2 C3 C4 173.6(16) . . . . ?
Os2 C2 C3 C4 -62.2(9) . . . . ?
C1 C2 C3 C8 -170.7(14) . . . . ?
C7 C2 C3 C8 0(2) . . . . ?
Os2 C2 C3 C8 124.7(15) . . . . ?
C1 C2 C3 Os2 64.6(9) . . . . ?
C7 C2 C3 Os2 -124.2(17) . . . . ?
C2 C3 C4 C5 -2.8(14) . . . . ?
C8 C3 C4 C5 170.4(14) . . . . ?
Os2 C3 C4 C5 -64.4(8) . . . . ?
C2 C3 C4 C9 -173.4(16) . . . . ?
C8 C3 C4 C9 0(2) . . . . ?
Os2 C3 C4 C9 125.0(16) . . . . ?
C2 C3 C4 Os2 61.6(9) . . . . ?
C8 C3 C4 Os2 -125.2(14) . . . . ?
C2 C1 C5 C4 -0.6(13) . . . . ?
C6 C1 C5 C4 -175.0(12) . . . . ?
Os2 C1 C5 C4 61.1(8) . . . . ?
C2 C1 C5 C10 173.4(13) . . . . ?
C6 C1 C5 C10 -1(2) . . . . ?
Os2 C1 C5 C10 -124.9(13) . . . . ?
C2 C1 C5 Os2 -61.7(8) . . . . ?
C6 C1 C5 Os2 123.9(13) . . . . ?
C3 C4 C5 C1 2.1(13) . . . . ?
C9 C4 C5 C1 172.7(15) . . . . ?
Os2 C4 C5 C1 -61.6(8) . . . . ?
C3 C4 C5 C10 -171.7(13) . . . . ?
C9 C4 C5 C10 -1(2) . . . . ?
Os2 C4 C5 C10 124.6(14) . . . . ?
C3 C4 C5 Os2 63.7(8) . . . . ?
C9 C4 C5 Os2 -125.7(16) . . . . ?
C15 C11 C12 C13 -0.9(14) . . . . ?
C16 C11 C12 C13 -174.2(13) . . . . ?
Os1 C11 C12 C13 61.3(9) . . . . ?
C15 C11 C12 C17 172.9(13) . . . . ?
C16 C11 C12 C17 -1(2) . . . . ?
Os1 C11 C12 C17 -125.0(14) . . . . ?
C15 C11 C12 Os1 -62.1(9) . . . . ?
C16 C11 C12 Os1 124.5(13) . . . . ?
C11 C12 C13 C14 2.1(14) . . . . ?
C17 C12 C13 C14 -171.5(13) . . . . ?
Os1 C12 C13 C14 63.4(9) . . . . ?
C11 C12 C13 C18 172.6(16) . . . . ?
C17 C12 C13 C18 -1(2) . . . . ?
Os1 C12 C13 C18 -126.1(17) . . . . ?
C11 C12 C13 Os1 -61.3(9) . . . . ?
C17 C12 C13 Os1 125.1(14) . . . . ?
C12 C13 C14 C15 -2.5(15) . . . . ?
C18 C13 C14 C15 -173.0(17) . . . . ?
Os1 C13 C14 C15 61.6(9) . . . . ?
C12 C13 C14 C19 171.5(14) . . . . ?
C18 C13 C14 C19 1(2) . . . . ?
Os1 C13 C14 C19 -124.4(15) . . . . ?
C12 C13 C14 Os1 -64.1(9) . . . . ?
C18 C13 C14 Os1 125.3(17) . . . . ?
C13 C14 C15 C11 2.0(15) . . . . ?
C19 C14 C15 C11 -172.0(14) . . . . ?
Os1 C14 C15 C11 64.2(9) . . . . ?
C13 C14 C15 C20 172.3(17) . . . . ?
C19 C14 C15 C20 -2(3) . . . . ?
Os1 C14 C15 C20 -125.5(18) . . . . ?
C13 C14 C15 Os1 -62.2(9) . . . . ?
C19 C14 C15 Os1 123.8(15) . . . . ?
C12 C11 C15 C14 -0.7(15) . . . . ?
C16 C11 C15 C14 172.6(13) . . . . ?
Os1 C11 C15 C14 -64.6(9) . . . . ?
C12 C11 C15 C20 -171.3(16) . . . . ?
C16 C11 C15 C20 2(2) . . . . ?
Os1 C11 C15 C20 124.8(18) . . . . ?
C12 C11 C15 Os1 63.9(9) . . . . ?
C16 C11 C15 Os1 -122.8(14) . . . . ?
B3 B1 B2 B4 127(3) . . . . ?
Os2 B1 B2 B4 67(2) . . . . ?
B4 B1 B2 B6 -29(3) . . . . ?
B3 B1 B2 B6 98(3) . . . . ?
Os2 B1 B2 B6 38(3) . . . . ?
B4 B1 B2 B5 -95(3) . . . . ?
B3 B1 B2 B5 32(2) . . . . ?
Os2 B1 B2 B5 -28(3) . . . . ?
B4 B1 B2 B3 -127(3) . . . . ?
Os2 B1 B2 B3 -59.5(17) . . . . ?
B4 B1 B3 B5 15(3) . . . . ?
B2 B1 B3 B5 -32(2) . . . . ?
Os2 B1 B3 B5 84(2) . . . . ?
B4 B1 B3 B2 46(2) . . . . ?
Os2 B1 B3 B2 115.5(19) . . . . ?
B4 B1 B3 B7 -56(4) . . . . ?
B2 B1 B3 B7 -102(3) . . . . ?
Os2 B1 B3 B7 13(2) . . . . ?
B4 B1 B3 Os2 -69(2) . . . . ?
B2 B1 B3 Os2 -115.5(19) . . . . ?
B4 B2 B3 B1 -43(2) . . . . ?
B6 B2 B3 B1 -105(3) . . . . ?
B5 B2 B3 B1 -145(3) . . . . ?
B1 B2 B3 B5 145(3) . . . . ?
B4 B2 B3 B5 103(3) . . . . ?
B6 B2 B3 B5 40(2) . . . . ?
B1 B2 B3 B7 116(3) . . . . ?
B4 B2 B3 B7 73(3) . . . . ?
B6 B2 B3 B7 10(3) . . . . ?
B5 B2 B3 B7 -30(2) . . . . ?
B1 B2 B3 Os2 55.6(17) . . . . ?
B4 B2 B3 Os2 13(2) . . . . ?
B6 B2 B3 Os2 -50(2) . . . . ?
B5 B2 B3 Os2 -89.9(18) . . . . ?
B2 B1 B4 B8 99(3) . . . . ?
B3 B1 B4 B8 53(4) . . . . ?
Os2 B1 B4 B8 -12(3) . . . . ?
B3 B1 B4 B2 -46(2) . . . . ?
Os2 B1 B4 B2 -110.6(19) . . . . ?
B2 B1 B4 B6 29(3) . . . . ?
B3 B1 B4 B6 -17(4) . . . . ?
Os2 B1 B4 B6 -81(3) . . . . ?
B2 B1 B4 Os2 110.6(19) . . . . ?
B3 B1 B4 Os2 64.7(17) . . . . ?
B6 B2 B4 B1 149(3) . . . . ?
B5 B2 B4 B1 106(3) . . . . ?
B3 B2 B4 B1 45(2) . . . . ?
B1 B2 B4 B8 -114(3) . . . . ?
B6 B2 B4 B8 35(3) . . . . ?
B5 B2 B4 B8 -8(4) . . . . ?
B3 B2 B4 B8 -69(3) . . . . ?
B1 B2 B4 B6 -149(3) . . . . ?
B5 B2 B4 B6 -43(2) . . . . ?
B3 B2 B4 B6 -104(2) . . . . ?
B1 B2 B4 Os2 -56.7(18) . . . . ?
B6 B2 B4 Os2 92(2) . . . . ?
B5 B2 B4 Os2 49(2) . . . . ?
B3 B2 B4 Os2 -12(2) . . . . ?
B1 B2 B5 B3 -32(2) . . . . ?
B4 B2 B5 B3 -92(3) . . . . ?
B6 B2 B5 B3 -135(2) . . . . ?
B1 B2 B5 B6 103(3) . . . . ?
B4 B2 B5 B6 43(2) . . . . ?
B3 B2 B5 B6 135(2) . . . . ?
B1 B2 B5 B7 -3(4) . . . . ?
B4 B2 B5 B7 -63(3) . . . . ?
B6 B2 B5 B7 -106(3) . . . . ?
B3 B2 B5 B7 29(2) . . . . ?
B1 B2 B5 Os1 72(3) . . . . ?
B4 B2 B5 Os1 12(3) . . . . ?
B6 B2 B5 Os1 -31(2) . . . . ?
B3 B2 B5 Os1 103(2) . . . . ?
B1 B3 B5 B2 31(2) . . . . ?
B7 B3 B5 B2 150(2) . . . . ?
Os2 B3 B5 B2 96.0(19) . . . . ?
B1 B3 B5 B6 -8(3) . . . . ?
B2 B3 B5 B6 -39(2) . . . . ?
B7 B3 B5 B6 110(3) . . . . ?
Os2 B3 B5 B6 57(2) . . . . ?
B1 B3 B5 B7 -119(3) . . . . ?
B2 B3 B5 B7 -150(2) . . . . ?
Os2 B3 B5 B7 -53.8(16) . . . . ?
B1 B3 B5 Os1 -79(3) . . . . ?
B2 B3 B5 Os1 -111(2) . . . . ?
B7 B3 B5 Os1 39(2) . . . . ?
Os2 B3 B5 Os1 -15(2) . . . . ?
B1 B2 B6 B4 28(3) . . . . ?
B5 B2 B6 B4 131(3) . . . . ?
B3 B2 B6 B4 91(2) . . . . ?
B1 B2 B6 B5 -104(3) . . . . ?
B4 B2 B6 B5 -131(3) . . . . ?
B3 B2 B6 B5 -40(2) . . . . ?
B1 B2 B6 B8 -5(3) . . . . ?
B4 B2 B6 B8 -33(2) . . . . ?
B5 B2 B6 B8 99(2) . . . . ?
B3 B2 B6 B8 59(3) . . . . ?
B1 B2 B6 Os1 -74(3) . . . . ?
B4 B2 B6 Os1 -101(3) . . . . ?
B5 B2 B6 Os1 30(2) . . . . ?
B3 B2 B6 Os1 -10(3) . . . . ?
B1 B4 B6 B2 -30(3) . . . . ?
B8 B4 B6 B2 -142(3) . . . . ?
Os2 B4 B6 B2 -92(2) . . . . ?
B1 B4 B6 B5 12(4) . . . . ?
B8 B4 B6 B5 -100(2) . . . . ?
B2 B4 B6 B5 42(2) . . . . ?
Os2 B4 B6 B5 -50(2) . . . . ?
B1 B4 B6 B8 112(3) . . . . ?
B2 B4 B6 B8 142(3) . . . . ?
Os2 B4 B6 B8 50.3(15) . . . . ?
B1 B4 B6 Os1 79(3) . . . . ?
B8 B4 B6 Os1 -33(2) . . . . ?
B2 B4 B6 Os1 109(2) . . . . ?
Os2 B4 B6 Os1 17(2) . . . . ?
B3 B5 B6 B2 40(2) . . . . ?
B7 B5 B6 B2 104(3) . . . . ?
Os1 B5 B6 B2 150(2) . . . . ?
B2 B5 B6 B4 -42(2) . . . . ?
B3 B5 B6 B4 -2(3) . . . . ?
B7 B5 B6 B4 62(3) . . . . ?
Os1 B5 B6 B4 109(2) . . . . ?
B2 B5 B6 B8 -101(3) . . . . ?
B3 B5 B6 B8 -61(3) . . . . ?
B7 B5 B6 B8 3(3) . . . . ?
Os1 B5 B6 B8 49.2(19) . . . . ?
B2 B5 B6 Os1 -150(2) . . . . ?
B3 B5 B6 Os1 -110(2) . . . . ?
B7 B5 B6 Os1 -46(2) . . . . ?
B1 B3 B7 B5 98(3) . . . . ?
B2 B3 B7 B5 29(2) . . . . ?
Os2 B3 B7 B5 111.5(19) . . . . ?
B1 B3 B7 Os2 -14(3) . . . . ?
B5 B3 B7 Os2 -111.5(19) . . . . ?
B2 B3 B7 Os2 -83(2) . . . . ?
B1 B3 B7 Os1 62(3) . . . . ?
B5 B3 B7 Os1 -35.6(18) . . . . ?
B2 B3 B7 Os1 -7(3) . . . . ?
Os2 B3 B7 Os1 76.0(14) . . . . ?
B1 B4 B8 B6 -103(4) . . . . ?
B2 B4 B8 B6 -34(3) . . . . ?
Os2 B4 B8 B6 -115.0(19) . . . . ?
B1 B4 B8 Os1 -67(4) . . . . ?
B2 B4 B8 Os1 2(4) . . . . ?
B6 B4 B8 Os1 36(2) . . . . ?
Os2 B4 B8 Os1 -78.8(16) . . . . ?
B1 B4 B8 Os2 12(3) . . . . ?
B2 B4 B8 Os2 81(2) . . . . ?
B6 B4 B8 Os2 115.0(19) . . . . ?
B2 B6 B8 B4 33(2) . . . . ?
B5 B6 B8 B4 96(3) . . . . ?
Os1 B6 B8 B4 146(2) . . . . ?
B2 B6 B8 Os1 -112(2) . . . . ?
B4 B6 B8 Os1 -146(2) . . . . ?
B5 B6 B8 Os1 -49.5(19) . . . . ?
B2 B6 B8 Os2 -34(3) . . . . ?
B4 B6 B8 Os2 -67(2) . . . . ?
B5 B6 B8 Os2 29(3) . . . . ?
Os1 B6 B8 Os2 78.3(14) . . . . ?
B6' B1' B2' B5' -54(4) . . . . ?
B8' B1' B2' B5' 19(3) . . . . ?
B3' B1' B2' B5' 48(3) . . . . ?
Os1 B1' B2' B5' -67(2) . . . . ?
B6' B1' B2' B3' -102(3) . . . . ?
B8' B1' B2' B3' -29(2) . . . . ?
Os1 B1' B2' B3' -115.2(18) . . . . ?
B6' B1' B2' Os1 13(3) . . . . ?
B8' B1' B2' Os1 86.3(19) . . . . ?
B3' B1' B2' Os1 115.2(18) . . . . ?
B5' B2' B3' B7' -31(3) . . . . ?
B1' B2' B3' B7' 96(3) . . . . ?
Os1 B2' B3' B7' 37(3) . . . . ?
B5' B2' B3' B8' -97(3) . . . . ?
B1' B2' B3' B8' 30(2) . . . . ?
Os1 B2' B3' B8' -29(3) . . . . ?
B1' B2' B3' B5' 127(2) . . . . ?
Os1 B2' B3' B5' 68(2) . . . . ?
B5' B2' B3' B1' -127(2) . . . . ?
Os1 B2' B3' B1' -59.2(16) . . . . ?
B2' B1' B3' B7' -106(3) . . . . ?
B6' B1' B3' B7' 11(3) . . . . ?
B8' B1' B3' B7' 41(2) . . . . ?
Os1 B1' B3' B7' -50(2) . . . . ?
B6' B1' B3' B2' 117(3) . . . . ?
B8' B1' B3' B2' 147(2) . . . . ?
Os1 B1' B3' B2' 56.8(16) . . . . ?
B2' B1' B3' B8' -147(2) . . . . ?
B6' B1' B3' B8' -30(2) . . . . ?
Os1 B1' B3' B8' -90.7(17) . . . . ?
B2' B1' B3' B5' -42(2) . . . . ?
B6' B1' B3' B5' 75(3) . . . . ?
B8' B1' B3' B5' 105(2) . . . . ?
Os1 B1' B3' B5' 15(2) . . . . ?
B3' B2' B5' B4' 96(3) . . . . ?
B1' B2' B5' B4' 48(4) . . . . ?
Os1 B2' B5' B4' -15(3) . . . . ?
B1' B2' B5' B3' -48(2) . . . . ?
Os1 B2' B5' B3' -110.6(19) . . . . ?
B3' B2' B5' B7' 28(2) . . . . ?
B1' B2' B5' B7' -20(3) . . . . ?
Os1 B2' B5' B7' -82(2) . . . . ?
B3' B2' B5' Os1 110.6(19) . . . . ?
B1' B2' B5' Os1 62.4(17) . . . . ?
B7' B4' B5' B2' -98(3) . . . . ?
Os2 B4' B5' B2' -62(4) . . . . ?
Os1 B4' B5' B2' 16(3) . . . . ?
B7' B4' B5' B3' -31(2) . . . . ?
Os2 B4' B5' B3' 5(3) . . . . ?
Os1 B4' B5' B3' 82(2) . . . . ?
Os2 B4' B5' B7' 37(2) . . . . ?
Os1 B4' B5' B7' 113.8(18) . . . . ?
B7' B4' B5' Os1 -113.8(18) . . . . ?
Os2 B4' B5' Os1 -77.2(17) . . . . ?
B7' B3' B5' B2' 148(3) . . . . ?
B8' B3' B5' B2' 105(3) . . . . ?
B1' B3' B5' B2' 44(2) . . . . ?
B7' B3' B5' B4' 33(2) . . . . ?
B2' B3' B5' B4' -115(3) . . . . ?
B8' B3' B5' B4' -11(4) . . . . ?
B1' B3' B5' B4' -72(3) . . . . ?
B2' B3' B5' B7' -148(3) . . . . ?
B8' B3' B5' B7' -44(2) . . . . ?
B1' B3' B5' B7' -104(2) . . . . ?
B7' B3' B5' Os1 90.9(19) . . . . ?
B2' B3' B5' Os1 -57.2(18) . . . . ?
B8' B3' B5' Os1 47(3) . . . . ?
B1' B3' B5' Os1 -13.6(19) . . . . ?
B2' B1' B6' B8' 96(3) . . . . ?
B3' B1' B6' B8' 28(2) . . . . ?
Os1 B1' B6' B8' 110.1(18) . . . . ?
B2' B1' B6' Os1 -14(3) . . . . ?
B8' B1' B6' Os1 -110.1(18) . . . . ?
B3' B1' B6' Os1 -82(2) . . . . ?
B2' B1' B6' Os2 61(3) . . . . ?
B8' B1' B6' Os2 -34.9(16) . . . . ?
B3' B1' B6' Os2 -7(3) . . . . ?
Os1 B1' B6' Os2 75.2(14) . . . . ?
B2' B3' B7' B8' -103(3) . . . . ?
B5' B3' B7' B8' -131(3) . . . . ?
B1' B3' B7' B8' -40(2) . . . . ?
B2' B3' B7' B4' -4(3) . . . . ?
B8' B3' B7' B4' 99(2) . . . . ?
B5' B3' B7' B4' -32(2) . . . . ?
B1' B3' B7' B4' 59(3) . . . . ?
B2' B3' B7' B5' 28(3) . . . . ?
B8' B3' B7' B5' 131(3) . . . . ?
B1' B3' B7' B5' 91(2) . . . . ?
B2' B3' B7' Os2 -72(3) . . . . ?
B8' B3' B7' Os2 30(2) . . . . ?
B5' B3' B7' Os2 -101(3) . . . . ?
B1' B3' B7' Os2 -10(3) . . . . ?
B5' B4' B7' B3' 33(2) . . . . ?
Os2 B4' B7' B3' -112(2) . . . . ?
Os1 B4' B7' B3' -34(3) . . . . ?
B5' B4' B7' B8' 97(3) . . . . ?
Os2 B4' B7' B8' -48.2(18) . . . . ?
Os1 B4' B7' B8' 30(3) . . . . ?
Os2 B4' B7' B5' -145(2) . . . . ?
Os1 B4' B7' B5' -67(2) . . . . ?
B5' B4' B7' Os2 145(2) . . . . ?
Os1 B4' B7' Os2 78.3(14) . . . . ?
B2' B5' B7' B3' -30(3) . . . . ?
B4' B5' B7' B3' -144(3) . . . . ?
Os1 B5' B7' B3' -92(2) . . . . ?
B2' B5' B7' B8' 13(3) . . . . ?
B4' B5' B7' B8' -101(2) . . . . ?
B3' B5' B7' B8' 43(2) . . . . ?
Os1 B5' B7' B8' -50(2) . . . . ?
B2' B5' B7' B4' 114(3) . . . . ?
B3' B5' B7' B4' 144(3) . . . . ?
Os1 B5' B7' B4' 51.5(16) . . . . ?
B2' B5' B7' Os2 81(3) . . . . ?
B4' B5' B7' Os2 -34(2) . . . . ?
B3' B5' B7' Os2 110(2) . . . . ?
Os1 B5' B7' Os2 18(2) . . . . ?
B2' B3' B8' B7' 104(3) . . . . ?
B5' B3' B8' B7' 45(2) . . . . ?
B1' B3' B8' B7' 134(2) . . . . ?
B7' B3' B8' B1' -134(2) . . . . ?
B2' B3' B8' B1' -30(2) . . . . ?
B5' B3' B8' B1' -89(3) . . . . ?
B7' B3' B8' B6' -108(3) . . . . ?
B2' B3' B8' B6' -3(4) . . . . ?
B5' B3' B8' B6' -63(3) . . . . ?
B1' B3' B8' B6' 26(2) . . . . ?
B7' B3' B8' Os2 -31(2) . . . . ?
B2' B3' B8' Os2 73(3) . . . . ?
B5' B3' B8' Os2 14(3) . . . . ?
B1' B3' B8' Os2 103(2) . . . . ?
B4' B7' B8' B3' -103(3) . . . . ?
B5' B7' B8' B3' -42(2) . . . . ?
Os2 B7' B8' B3' -150(2) . . . . ?
B3' B7' B8' B1' 41(2) . . . . ?
B4' B7' B8' B1' -61(3) . . . . ?
B5' B7' B8' B1' -1(3) . . . . ?
Os2 B7' B8' B1' -109(2) . . . . ?
B3' B7' B8' B6' 102(3) . . . . ?
B4' B7' B8' B6' -1(3) . . . . ?
B5' B7' B8' B6' 59(3) . . . . ?
Os2 B7' B8' B6' -48.8(19) . . . . ?
B3' B7' B8' Os2 150(2) . . . . ?
B4' B7' B8' Os2 47.6(18) . . . . ?
B5' B7' B8' Os2 108(2) . . . . ?
B2' B1' B8' B3' 29(2) . . . . ?
B6' B1' B8' B3' 151(2) . . . . ?
Os1 B1' B8' B3' 95.5(18) . . . . ?
B2' B1' B8' B7' -11(3) . . . . ?
B6' B1' B8' B7' 111(3) . . . . ?
B3' B1' B8' B7' -39(2) . . . . ?
Os1 B1' B8' B7' 56(2) . . . . ?
B2' B1' B8' B6' -122(2) . . . . ?
B3' B1' B8' B6' -151(2) . . . . ?
Os1 B1' B8' B6' -55.3(15) . . . . ?
B2' B1' B8' Os2 -82(2) . . . . ?
B6' B1' B8' Os2 40(2) . . . . ?
B3' B1' B8' Os2 -111(2) . . . . ?
Os1 B1' B8' Os2 -15(2) . . . . ?

_refine_diff_density_max         2.280
_refine_diff_density_min         -2.081
_refine_diff_density_rms         0.135

# start Validation Reply Form
_vrf_PLAT342_OS4                 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0217 Ang.  
RESPONSE: The low C-C bond precision is due to the disordered nature of
Cp* moieties.
;
# end Validation Reply Form


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_os
_database_code_depnum_ccdc_archive 'CCDC 2293942'
loop_
_audit_author_name
_audit_author_address
'Dr. V. RAMKUMAR'
;DEPARTMENT OF CHEMISTRY, INDIAN INSTITUTE OF TECHNOLOGY MADRAS
India
;
_audit_update_record             
;
2023-09-08 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H37 B7 Os2'
_chemical_formula_weight         733.56

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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           114
_space_group_name_H-M_alt        'P -4 21 c'
_space_group_name_Hall           'P -4 2n'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   23.6454(8)
_cell_length_b                   23.6454(8)
_cell_length_c                   8.8984(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4975.1(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9242
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      24.80

_exptl_crystal_description       Block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.959
_exptl_crystal_F_000             2752
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    10.211
_shelx_estimated_absorpt_T_min   0.261
_shelx_estimated_absorpt_T_max   0.374
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.261
_exptl_absorpt_correction_T_max  0.374
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            72125
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         1.722
_diffrn_reflns_theta_max         24.987
_diffrn_reflns_theta_full        24.987
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4381
_reflns_number_gt                3960
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.782
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0096P)²+9.3119P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 1632 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.023(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4381
_refine_ls_number_parameters     272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0218
_refine_ls_wR_factor_ref         0.0407
_refine_ls_wR_factor_gt          0.0376
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
B1 B 0.7098(5) 0.4821(5) 0.1234(16) 0.057(3) Uani 1 1 d . . . . .
H1 H 0.6904 0.4671 0.0183 0.069 Uiso 1 1 calc R U . . .
B2 B 0.6842(7) 0.4898(6) 0.3030(19) 0.087(5) Uani 1 1 d . . . . .
H2 H 0.6423 0.4774 0.3456 0.104 Uiso 1 1 calc R U . . .
B3 B 0.7355(6) 0.5208(8) 0.4112(13) 0.090(7) Uani 1 1 d . . . . .
H3 H 0.7244 0.5326 0.5271 0.108 Uiso 1 1 calc R U . . .
B4 B 0.7901(6) 0.5567(7) 0.3168(16) 0.072(4) Uani 1 1 d . . . . .
H4 H 0.8161 0.5857 0.3846 0.086 Uiso 1 1 calc R U . . .
B5 B 0.7881(5) 0.5813(5) 0.1278(17) 0.055(3) Uani 1 1 d . . . . .
H5 H 0.8065 0.6123 0.0739 0.066 Uiso 1 1 calc R U . . .
B6 B 0.7979(7) 0.4885(8) 0.3594(14) 0.094(6) Uani 1 1 d . . . . .
H6 H 0.8321 0.4697 0.4269 0.112 Uiso 1 1 calc R U . . .
B7 B 0.7419(7) 0.4503(6) 0.292(2) 0.089(5) Uani 1 1 d . . . . .
H7 H 0.7412 0.4046 0.3151 0.107 Uiso 1 1 calc R U . . .
C1 C 0.8792(3) 0.5034(4) -0.0017(8) 0.0319(19) Uani 1 1 d . . . . .
C2 C 0.8773(4) 0.4504(4) 0.0715(9) 0.036(2) Uani 1 1 d . . . . .
C3 C 0.8316(4) 0.4188(4) 0.0099(9) 0.035(2) Uani 1 1 d . . . . .
C4 C 0.8051(3) 0.4524(4) -0.1033(10) 0.037(2) Uani 1 1 d . . . . .
C5 C 0.8344(3) 0.5048(4) -0.1105(9) 0.0319(18) Uani 1 1 d . . . . .
C6 C 0.8244(4) 0.5499(4) -0.2239(12) 0.052(3) Uani 1 1 d . . . . .
H6A H 0.8397 0.5382 -0.3190 0.079 Uiso 1 1 calc R U . . .
H6B H 0.8427 0.5841 -0.1922 0.079 Uiso 1 1 calc R U . . .
H6C H 0.7846 0.5564 -0.2339 0.079 Uiso 1 1 calc R U . . .
C7 C 0.9241(4) 0.5473(4) 0.0146(12) 0.055(3) Uani 1 1 d . . . . .
H7A H 0.9388 0.5464 0.1152 0.083 Uiso 1 1 calc R U . . .
H7B H 0.9083 0.5839 -0.0053 0.083 Uiso 1 1 calc R U . . .
H7C H 0.9541 0.5398 -0.0554 0.083 Uiso 1 1 calc R U . . .
C8 C 0.9199(4) 0.4286(4) 0.1841(12) 0.059(3) Uani 1 1 d . . . . .
H8A H 0.9469 0.4050 0.1338 0.088 Uiso 1 1 calc R U . . .
H8B H 0.9008 0.4070 0.2600 0.088 Uiso 1 1 calc R U . . .
H8C H 0.9391 0.4600 0.2300 0.088 Uiso 1 1 calc R U . . .
C9 C 0.8174(5) 0.3583(4) 0.0475(14) 0.063(3) Uani 1 1 d . . . . .
H9A H 0.8363 0.3335 -0.0218 0.095 Uiso 1 1 calc R U . . .
H9B H 0.7773 0.3527 0.0402 0.095 Uiso 1 1 calc R U . . .
H9C H 0.8296 0.3500 0.1480 0.095 Uiso 1 1 calc R U . . .
C10 C 0.7598(4) 0.4333(5) -0.2076(12) 0.056(3) Uani 1 1 d . . . . .
H10A H 0.7373 0.4652 -0.2376 0.084 Uiso 1 1 calc R U . . .
H10B H 0.7362 0.4061 -0.1577 0.084 Uiso 1 1 calc R U . . .
H10C H 0.7766 0.4163 -0.2947 0.084 Uiso 1 1 calc R U . . .
C11 C 0.6325(5) 0.5990(4) 0.0728(12) 0.050(3) Uani 1 1 d . . . . .
C12 C 0.6197(4) 0.6012(5) 0.2256(16) 0.064(3) Uani 1 1 d . . . . .
C13 C 0.6567(5) 0.6400(5) 0.2958(15) 0.068(3) Uani 1 1 d . . . . .
C14 C 0.6930(5) 0.6624(4) 0.1838(15) 0.061(3) Uani 1 1 d . . . . .
C15 C 0.6774(4) 0.6365(4) 0.0454(12) 0.048(3) Uani 1 1 d . . . . .
C16 C 0.6993(6) 0.6516(5) -0.1085(14) 0.091(4) Uani 1 1 d . . . . .
H16A H 0.7009 0.6181 -0.1696 0.137 Uiso 1 1 calc R U . . .
H16B H 0.7365 0.6675 -0.0996 0.137 Uiso 1 1 calc R U . . .
H16C H 0.6745 0.6787 -0.1543 0.137 Uiso 1 1 calc R U . . .
C17 C 0.6023(5) 0.5665(5) -0.0475(15) 0.095(5) Uani 1 1 d . . . . .
H17A H 0.5851 0.5335 -0.0043 0.142 Uiso 1 1 calc R U . . .
H17B H 0.6288 0.5552 -0.1235 0.142 Uiso 1 1 calc R U . . .
H17C H 0.5736 0.5899 -0.0916 0.142 Uiso 1 1 calc R U . . .
C18 C 0.5703(5) 0.5726(7) 0.304(2) 0.134(7) Uani 1 1 d . . . . .
H18A H 0.5372 0.5958 0.2942 0.200 Uiso 1 1 calc R U . . .
H18B H 0.5790 0.5674 0.4080 0.200 Uiso 1 1 calc R U . . .
H18C H 0.5634 0.5365 0.2577 0.200 Uiso 1 1 calc R U . . .
C19 C 0.6541(8) 0.6586(7) 0.4571(15) 0.151(8) Uani 1 1 d . . . . .
H19A H 0.6891 0.6764 0.4842 0.227 Uiso 1 1 calc R U . . .
H19B H 0.6479 0.6263 0.5203 0.227 Uiso 1 1 calc R U . . .
H19C H 0.6236 0.6850 0.4697 0.227 Uiso 1 1 calc R U . . .
C20 C 0.7353(5) 0.7088(5) 0.204(2) 0.114(6) Uani 1 1 d . . . . .
H20A H 0.7165 0.7447 0.1979 0.171 Uiso 1 1 calc R U . . .
H20B H 0.7634 0.7063 0.1265 0.171 Uiso 1 1 calc R U . . .
H20C H 0.7530 0.7051 0.3005 0.171 Uiso 1 1 calc R U . . .
Os1 Os 0.79671(2) 0.49586(2) 0.12524(3) 0.02936(8) Uani 1 1 d . . . . .
Os2 Os 0.70833(2) 0.56851(2) 0.20859(4) 0.03471(9) Uani 1 1 d . . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
B1 B2 1.72(2) . ?
B1 B7 1.84(2) . ?
B1 Os1 2.081(12) . ?
B1 Os2 2.180(11) . ?
B1 H1 1.1000 . ?
B2 B7 1.66(2) . ?
B2 B3 1.71(2) . ?
B2 Os2 2.121(15) . ?
B2 H2 1.1000 . ?
B3 B6 1.73(2) . ?
B3 B4 1.76(2) . ?
B3 B7 1.98(2) . ?
B3 Os2 2.222(12) . ?
B3 H3 1.1000 . ?
B4 B6 1.67(2) . ?
B4 B5 1.78(2) . ?
B4 Os2 2.179(13) . ?
B4 Os1 2.236(14) . ?
B4 H4 1.1000 . ?
B5 Os1 2.030(11) . ?
B5 Os2 2.040(12) . ?
B5 H5 0.9800 . ?
B6 B7 1.71(2) . ?
B6 Os1 2.091(13) . ?
B6 H6 1.1000 . ?
B7 Os1 2.246(13) . ?
B7 H7 1.1000 . ?
C1 C2 1.414(12) . ?
C1 C5 1.436(10) . ?
C1 C7 1.492(12) . ?
C1 Os1 2.261(7) . ?
C2 C3 1.424(12) . ?
C2 C8 1.511(12) . ?
C2 Os1 2.239(8) . ?
C3 C4 1.428(12) . ?
C3 C9 1.508(12) . ?
C3 Os1 2.248(8) . ?
C4 C5 1.421(12) . ?
C4 C10 1.487(12) . ?
C4 Os1 2.286(9) . ?
C5 C6 1.486(12) . ?
C5 Os1 2.289(7) . ?
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 C12 1.394(16) . ?
C11 C15 1.403(14) . ?
C11 C17 1.499(14) . ?
C11 Os2 2.278(9) . ?
C12 C13 1.414(15) . ?
C12 C18 1.517(16) . ?
C12 Os2 2.239(9) . ?
C13 C14 1.418(16) . ?
C13 C19 1.502(15) . ?
C13 Os2 2.226(10) . ?
C14 C15 1.425(15) . ?
C14 C20 1.494(14) . ?
C14 Os2 2.260(9) . ?
C15 C16 1.507(14) . ?
C15 Os2 2.286(9) . ?
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 . ?
Os1 Os2 2.8051(5) . ?

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
B2 B1 B7 55.3(8) . . ?
B2 B1 Os1 108.9(9) . . ?
B7 B1 Os1 69.5(6) . . ?
B2 B1 Os2 64.6(7) . . ?
B7 B1 Os2 96.0(8) . . ?
Os1 B1 Os2 82.3(4) . . ?
B2 B1 H1 132.6 . . ?
B7 B1 H1 137.2 . . ?
Os1 B1 H1 118.0 . . ?
Os2 B1 H1 126.1 . . ?
B7 B2 B3 72.0(11) . . ?
B7 B2 B1 66.1(10) . . ?
B3 B2 B1 108.6(10) . . ?
B7 B2 Os2 104.4(9) . . ?
B3 B2 Os2 69.9(7) . . ?
B1 B2 Os2 68.3(7) . . ?
B7 B2 H2 127.8 . . ?
B3 B2 H2 123.9 . . ?
B1 B2 H2 127.5 . . ?
Os2 B2 H2 127.8 . . ?
B2 B3 B6 105.5(12) . . ?
B2 B3 B4 117.3(9) . . ?
B6 B3 B4 57.1(8) . . ?
B2 B3 B7 52.7(9) . . ?
B6 B3 B7 54.5(8) . . ?
B4 B3 B7 95.4(8) . . ?
B2 B3 Os2 63.7(6) . . ?
B6 B3 Os2 104.8(7) . . ?
B4 B3 Os2 65.1(6) . . ?
B7 B3 Os2 90.9(8) . . ?
B2 B3 H3 117.9 . . ?
B6 B3 H3 124.5 . . ?
B4 B3 H3 119.9 . . ?
B7 B3 H3 137.2 . . ?
Os2 B3 H3 124.3 . . ?
B6 B4 B3 60.4(9) . . ?
B6 B4 B5 122.2(10) . . ?
B3 B4 B5 126.0(9) . . ?
B6 B4 Os2 108.8(10) . . ?
B3 B4 Os2 67.7(6) . . ?
B5 B4 Os2 61.1(6) . . ?
B6 B4 Os1 62.8(7) . . ?
B3 B4 Os1 96.0(8) . . ?
B5 B4 Os1 59.4(5) . . ?
Os2 B4 Os1 78.9(4) . . ?
B6 B4 H4 114.6 . . ?
B3 B4 H4 116.7 . . ?
B5 B4 H4 109.3 . . ?
Os2 B4 H4 131.2 . . ?
Os1 B4 H4 141.3 . . ?
B4 B5 Os1 71.5(7) . . ?
B4 B5 Os2 69.2(7) . . ?
Os1 B5 Os2 87.1(5) . . ?
B4 B5 H5 134.0 . . ?
Os1 B5 H5 134.0 . . ?
Os2 B5 H5 134.0 . . ?
B4 B6 B7 110.2(11) . . ?
B4 B6 B3 62.5(10) . . ?
B7 B6 B3 70.4(10) . . ?
B4 B6 Os1 72.0(7) . . ?
B7 B6 Os1 71.6(8) . . ?
B3 B6 Os1 102.6(8) . . ?
B4 B6 H6 126.6 . . ?
B7 B6 H6 123.1 . . ?
B3 B6 H6 131.4 . . ?
Os1 B6 H6 126.0 . . ?
B2 B7 B6 108.7(12) . . ?
B2 B7 B1 58.6(9) . . ?
B6 B7 B1 112.9(10) . . ?
B2 B7 B3 55.4(8) . . ?
B6 B7 B3 55.2(9) . . ?
B1 B7 B3 93.6(8) . . ?
B2 B7 Os1 104.2(9) . . ?
B6 B7 Os1 62.1(6) . . ?
B1 B7 Os1 60.2(6) . . ?
B3 B7 Os1 89.7(7) . . ?
B2 B7 H7 122.1 . . ?
B6 B7 H7 117.6 . . ?
B1 B7 H7 123.1 . . ?
B3 B7 H7 136.6 . . ?
Os1 B7 H7 127.0 . . ?
C2 C1 C5 107.9(8) . . ?
C2 C1 C7 126.5(8) . . ?
C5 C1 C7 125.1(9) . . ?
C2 C1 Os1 70.8(5) . . ?
C5 C1 Os1 72.6(4) . . ?
C7 C1 Os1 128.3(6) . . ?
C1 C2 C3 108.2(7) . . ?
C1 C2 C8 125.9(8) . . ?
C3 C2 C8 125.6(8) . . ?
C1 C2 Os1 72.6(5) . . ?
C3 C2 Os1 71.8(5) . . ?
C8 C2 Os1 126.1(6) . . ?
C2 C3 C4 108.2(7) . . ?
C2 C3 C9 125.5(8) . . ?
C4 C3 C9 126.0(9) . . ?
C2 C3 Os1 71.2(5) . . ?
C4 C3 Os1 73.1(5) . . ?
C9 C3 Os1 125.9(6) . . ?
C5 C4 C3 107.7(7) . . ?
C5 C4 C10 126.0(9) . . ?
C3 C4 C10 125.9(8) . . ?
C5 C4 Os1 72.0(5) . . ?
C3 C4 Os1 70.2(5) . . ?
C10 C4 Os1 129.0(6) . . ?
C4 C5 C1 108.0(8) . . ?
C4 C5 C6 125.4(8) . . ?
C1 C5 C6 126.2(8) . . ?
C4 C5 Os1 71.8(5) . . ?
C1 C5 Os1 70.6(4) . . ?
C6 C5 Os1 128.9(6) . . ?
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 . . ?
C12 C11 C15 108.1(10) . . ?
C12 C11 C17 127.7(12) . . ?
C15 C11 C17 124.0(12) . . ?
C12 C11 Os2 70.5(5) . . ?
C15 C11 Os2 72.4(6) . . ?
C17 C11 Os2 126.3(7) . . ?
C11 C12 C13 108.7(10) . . ?
C11 C12 C18 126.6(14) . . ?
C13 C12 C18 124.3(14) . . ?
C11 C12 Os2 73.5(6) . . ?
C13 C12 Os2 71.0(6) . . ?
C18 C12 Os2 126.7(8) . . ?
C12 C13 C14 107.9(11) . . ?
C12 C13 C19 125.9(15) . . ?
C14 C13 C19 125.9(14) . . ?
C12 C13 Os2 72.1(6) . . ?
C14 C13 Os2 72.9(6) . . ?
C19 C13 Os2 125.3(8) . . ?
C13 C14 C15 106.8(10) . . ?
C13 C14 C20 126.5(13) . . ?
C15 C14 C20 126.4(13) . . ?
C13 C14 Os2 70.3(6) . . ?
C15 C14 Os2 72.7(5) . . ?
C20 C14 Os2 127.0(8) . . ?
C11 C15 C14 108.5(10) . . ?
C11 C15 C16 124.6(11) . . ?
C14 C15 C16 126.4(11) . . ?
C11 C15 Os2 71.8(6) . . ?
C14 C15 Os2 70.7(6) . . ?
C16 C15 Os2 129.3(7) . . ?
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 . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C11 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12 C18 H18A 109.5 . . ?
C12 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C12 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13 C19 H19A 109.5 . . ?
C13 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C13 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C20 H20A 109.5 . . ?
C14 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C14 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
B5 Os1 B1 93.2(5) . . ?
B5 Os1 B6 94.2(6) . . ?
B1 Os1 B6 90.5(6) . . ?
B5 Os1 B4 49.0(6) . . ?
B1 Os1 B4 92.2(5) . . ?
B6 Os1 B4 45.2(6) . . ?
B5 Os1 C2 124.5(4) . . ?
B1 Os1 C2 139.8(4) . . ?
B6 Os1 C2 99.3(5) . . ?
B4 Os1 C2 122.1(4) . . ?
B5 Os1 B7 114.3(5) . . ?
B1 Os1 B7 50.2(6) . . ?
B6 Os1 B7 46.3(7) . . ?
B4 Os1 B7 76.4(6) . . ?
C2 Os1 B7 113.7(5) . . ?
B5 Os1 C3 148.1(5) . . ?
B1 Os1 C3 103.4(4) . . ?
B6 Os1 C3 112.5(5) . . ?
B4 Os1 C3 153.5(4) . . ?
C2 Os1 C3 37.0(3) . . ?
B7 Os1 C3 97.2(5) . . ?
B5 Os1 C1 90.8(4) . . ?
B1 Os1 C1 149.4(4) . . ?
B6 Os1 C1 119.5(5) . . ?
B4 Os1 C1 113.0(5) . . ?
C2 Os1 C1 36.6(3) . . ?
B7 Os1 C1 150.0(5) . . ?
C3 Os1 C1 61.3(3) . . ?
B5 Os1 C4 117.7(5) . . ?
B1 Os1 C4 90.5(4) . . ?
B6 Os1 C4 147.9(5) . . ?
B4 Os1 C4 166.6(5) . . ?
C2 Os1 C4 61.4(3) . . ?
B7 Os1 C4 115.0(5) . . ?
C3 Os1 C4 36.7(3) . . ?
C1 Os1 C4 61.1(3) . . ?
B5 Os1 C5 87.6(5) . . ?
B1 Os1 C5 113.0(4) . . ?
B6 Os1 C5 156.3(5) . . ?
B4 Os1 C5 131.8(5) . . ?
C2 Os1 C5 61.2(3) . . ?
B7 Os1 C5 151.0(6) . . ?
C3 Os1 C5 60.9(3) . . ?
C1 Os1 C5 36.8(3) . . ?
C4 Os1 C5 36.2(3) . . ?
B5 Os1 Os2 46.6(3) . . ?
B1 Os1 Os2 50.4(3) . . ?
B6 Os1 Os2 78.3(5) . . ?
B4 Os1 Os2 49.7(3) . . ?
C2 Os1 Os2 169.9(2) . . ?
B7 Os1 Os2 71.9(4) . . ?
C3 Os1 Os2 152.9(2) . . ?
C1 Os1 Os2 136.6(3) . . ?
C4 Os1 Os2 125.1(2) . . ?
C5 Os1 Os2 118.4(2) . . ?
B5 Os2 B2 121.2(5) . . ?
B5 Os2 B4 49.8(5) . . ?
B2 Os2 B4 87.2(6) . . ?
B5 Os2 B1 90.1(4) . . ?
B2 Os2 B1 47.1(5) . . ?
B4 Os2 B1 91.1(5) . . ?
B5 Os2 B3 95.4(5) . . ?
B2 Os2 B3 46.4(6) . . ?
B4 Os2 B3 47.2(6) . . ?
B1 Os2 B3 78.5(6) . . ?
B5 Os2 C13 121.2(5) . . ?
B2 Os2 C13 112.4(6) . . ?
B4 Os2 C13 115.5(5) . . ?
B1 Os2 C13 147.4(5) . . ?
B3 Os2 C13 105.2(5) . . ?
B5 Os2 C12 146.9(5) . . ?
B2 Os2 C12 91.4(5) . . ?
B4 Os2 C12 147.7(5) . . ?
B1 Os2 C12 111.2(5) . . ?
B3 Os2 C12 113.0(5) . . ?
C13 Os2 C12 36.9(4) . . ?
B5 Os2 C14 88.2(5) . . ?
B2 Os2 C14 149.1(5) . . ?
B4 Os2 C14 108.1(5) . . ?
B1 Os2 C14 152.8(5) . . ?
B3 Os2 C14 128.6(6) . . ?
C13 Os2 C14 36.9(4) . . ?
C12 Os2 C14 61.2(4) . . ?
B5 Os2 C11 119.6(5) . . ?
B2 Os2 C11 106.0(6) . . ?
B4 Os2 C11 166.7(5) . . ?
B1 Os2 C11 97.1(4) . . ?
B3 Os2 C11 144.9(5) . . ?
C13 Os2 C11 60.9(4) . . ?
C12 Os2 C11 35.9(4) . . ?
C14 Os2 C11 60.8(4) . . ?
B5 Os2 C15 88.2(5) . . ?
B2 Os2 C15 141.5(6) . . ?
B4 Os2 C15 130.9(5) . . ?
B1 Os2 C15 116.3(5) . . ?
B3 Os2 C15 164.8(5) . . ?
C13 Os2 C15 60.8(4) . . ?
C12 Os2 C15 60.0(4) . . ?
C14 Os2 C15 36.5(4) . . ?
C11 Os2 C15 35.8(4) . . ?
B5 Os2 Os1 46.3(3) . . ?
B2 Os2 Os1 76.6(4) . . ?
B4 Os2 Os1 51.5(4) . . ?
B1 Os2 Os1 47.3(3) . . ?
B3 Os2 Os1 71.8(3) . . ?
C13 Os2 Os1 165.1(4) . . ?
C12 Os2 Os1 157.9(4) . . ?
C14 Os2 Os1 134.0(3) . . ?
C11 Os2 Os1 129.8(3) . . ?
C15 Os2 Os1 120.1(3) . . ?

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
Os1 B1 B2 B7 -46.6(9) . . . . ?
Os2 B1 B2 B7 -118.0(9) . . . . ?
B7 B1 B2 B3 59.6(11) . . . . ?
Os1 B1 B2 B3 13.0(12) . . . . ?
Os2 B1 B2 B3 -58.4(8) . . . . ?
B7 B1 B2 Os2 118.0(9) . . . . ?
Os1 B1 B2 Os2 71.4(6) . . . . ?
B7 B2 B3 B6 14.3(11) . . . . ?
B1 B2 B3 B6 -41.7(13) . . . . ?
Os2 B2 B3 B6 -99.1(9) . . . . ?
B7 B2 B3 B4 75.0(12) . . . . ?
B1 B2 B3 B4 18.9(16) . . . . ?
Os2 B2 B3 B4 -38.5(10) . . . . ?
B1 B2 B3 B7 -56.1(9) . . . . ?
Os2 B2 B3 B7 -113.5(8) . . . . ?
B7 B2 B3 Os2 113.5(8) . . . . ?
B1 B2 B3 Os2 57.4(8) . . . . ?
B2 B3 B4 B6 -91.4(13) . . . . ?
B7 B3 B4 B6 -40.9(9) . . . . ?
Os2 B3 B4 B6 -129.3(9) . . . . ?
B2 B3 B4 B5 18.8(19) . . . . ?
B6 B3 B4 B5 110.2(14) . . . . ?
B7 B3 B4 B5 69.3(14) . . . . ?
Os2 B3 B4 B5 -19.2(11) . . . . ?
B2 B3 B4 Os2 38.0(10) . . . . ?
B6 B3 B4 Os2 129.3(9) . . . . ?
B7 B3 B4 Os2 88.4(8) . . . . ?
B2 B3 B4 Os1 -37.4(12) . . . . ?
B6 B3 B4 Os1 54.0(8) . . . . ?
B7 B3 B4 Os1 13.1(9) . . . . ?
Os2 B3 B4 Os1 -75.4(4) . . . . ?
B6 B4 B5 Os1 0.9(12) . . . . ?
B3 B4 B5 Os1 -73.8(12) . . . . ?
Os2 B4 B5 Os1 -94.0(4) . . . . ?
B6 B4 B5 Os2 95.0(13) . . . . ?
B3 B4 B5 Os2 20.3(11) . . . . ?
Os1 B4 B5 Os2 94.0(4) . . . . ?
B3 B4 B6 B7 53.5(11) . . . . ?
B5 B4 B6 B7 -62.7(16) . . . . ?
Os2 B4 B6 B7 4.4(13) . . . . ?
Os1 B4 B6 B7 -61.8(9) . . . . ?
B5 B4 B6 B3 -116.2(12) . . . . ?
Os2 B4 B6 B3 -49.1(8) . . . . ?
Os1 B4 B6 B3 -115.3(8) . . . . ?
B3 B4 B6 Os1 115.3(8) . . . . ?
B5 B4 B6 Os1 -0.9(11) . . . . ?
Os2 B4 B6 Os1 66.2(7) . . . . ?
B2 B3 B6 B4 112.8(10) . . . . ?
B7 B3 B6 B4 126.8(10) . . . . ?
Os2 B3 B6 B4 46.5(9) . . . . ?
B2 B3 B6 B7 -14.0(11) . . . . ?
B4 B3 B6 B7 -126.8(10) . . . . ?
Os2 B3 B6 B7 -80.3(10) . . . . ?
B2 B3 B6 Os1 51.0(12) . . . . ?
B4 B3 B6 Os1 -61.8(8) . . . . ?
B7 B3 B6 Os1 65.0(8) . . . . ?
Os2 B3 B6 Os1 -15.3(12) . . . . ?
B3 B2 B7 B6 -14.7(11) . . . . ?
B1 B2 B7 B6 105.9(11) . . . . ?
Os2 B2 B7 B6 48.1(14) . . . . ?
B3 B2 B7 B1 -120.7(9) . . . . ?
Os2 B2 B7 B1 -57.9(8) . . . . ?
B1 B2 B7 B3 120.7(9) . . . . ?
Os2 B2 B7 B3 62.8(8) . . . . ?
B3 B2 B7 Os1 -79.6(10) . . . . ?
B1 B2 B7 Os1 41.1(9) . . . . ?
Os2 B2 B7 Os1 -16.8(12) . . . . ?
B4 B6 B7 B2 -34.4(16) . . . . ?
B3 B6 B7 B2 14.8(11) . . . . ?
Os1 B6 B7 B2 -96.5(11) . . . . ?
B4 B6 B7 B1 28.6(15) . . . . ?
B3 B6 B7 B1 77.7(10) . . . . ?
Os1 B6 B7 B1 -33.5(9) . . . . ?
B4 B6 B7 B3 -49.2(10) . . . . ?
Os1 B6 B7 B3 -111.2(7) . . . . ?
B4 B6 B7 Os1 62.0(9) . . . . ?
B3 B6 B7 Os1 111.2(7) . . . . ?
Os1 B1 B7 B2 132.8(9) . . . . ?
Os2 B1 B7 B2 53.3(8) . . . . ?
B2 B1 B7 B6 -98.6(13) . . . . ?
Os1 B1 B7 B6 34.1(9) . . . . ?
Os2 B1 B7 B6 -45.3(11) . . . . ?
B2 B1 B7 B3 -45.2(8) . . . . ?
Os1 B1 B7 B3 87.6(7) . . . . ?
Os2 B1 B7 B3 8.2(8) . . . . ?
B2 B1 B7 Os1 -132.8(9) . . . . ?
Os2 B1 B7 Os1 -79.4(4) . . . . ?
C5 C1 C2 C3 -0.2(9) . . . . ?
C7 C1 C2 C3 -172.6(8) . . . . ?
Os1 C1 C2 C3 63.4(6) . . . . ?
C5 C1 C2 C8 174.0(8) . . . . ?
C7 C1 C2 C8 1.6(14) . . . . ?
Os1 C1 C2 C8 -122.4(9) . . . . ?
C5 C1 C2 Os1 -63.6(5) . . . . ?
C7 C1 C2 Os1 124.0(9) . . . . ?
C1 C2 C3 C4 0.3(9) . . . . ?
C8 C2 C3 C4 -173.9(8) . . . . ?
Os1 C2 C3 C4 64.2(6) . . . . ?
C1 C2 C3 C9 174.9(8) . . . . ?
C8 C2 C3 C9 0.7(14) . . . . ?
Os1 C2 C3 C9 -121.2(9) . . . . ?
C1 C2 C3 Os1 -63.9(6) . . . . ?
C8 C2 C3 Os1 121.9(9) . . . . ?
C2 C3 C4 C5 -0.3(9) . . . . ?
C9 C3 C4 C5 -174.9(8) . . . . ?
Os1 C3 C4 C5 62.6(6) . . . . ?
C2 C3 C4 C10 172.7(8) . . . . ?
C9 C3 C4 C10 -1.9(14) . . . . ?
Os1 C3 C4 C10 -124.4(9) . . . . ?
C2 C3 C4 Os1 -62.9(6) . . . . ?
C9 C3 C4 Os1 122.5(9) . . . . ?
C3 C4 C5 C1 0.2(9) . . . . ?
C10 C4 C5 C1 -172.8(8) . . . . ?
Os1 C4 C5 C1 61.7(5) . . . . ?
C3 C4 C5 C6 173.3(8) . . . . ?
C10 C4 C5 C6 0.3(14) . . . . ?
Os1 C4 C5 C6 -125.2(8) . . . . ?
C3 C4 C5 Os1 -61.5(6) . . . . ?
C10 C4 C5 Os1 125.6(9) . . . . ?
C2 C1 C5 C4 0.0(9) . . . . ?
C7 C1 C5 C4 172.5(8) . . . . ?
Os1 C1 C5 C4 -62.5(6) . . . . ?
C2 C1 C5 C6 -173.1(8) . . . . ?
C7 C1 C5 C6 -0.5(14) . . . . ?
Os1 C1 C5 C6 124.5(9) . . . . ?
C2 C1 C5 Os1 62.4(5) . . . . ?
C7 C1 C5 Os1 -125.0(9) . . . . ?
C15 C11 C12 C13 -0.3(11) . . . . ?
C17 C11 C12 C13 -175.9(10) . . . . ?
Os2 C11 C12 C13 62.7(7) . . . . ?
C15 C11 C12 C18 173.1(10) . . . . ?
C17 C11 C12 C18 -2.5(18) . . . . ?
Os2 C11 C12 C18 -123.8(11) . . . . ?
C15 C11 C12 Os2 -63.1(7) . . . . ?
C17 C11 C12 Os2 121.3(10) . . . . ?
C11 C12 C13 C14 0.2(12) . . . . ?
C18 C12 C13 C14 -173.4(10) . . . . ?
Os2 C12 C13 C14 64.6(7) . . . . ?
C11 C12 C13 C19 174.6(11) . . . . ?
C18 C12 C13 C19 1.0(18) . . . . ?
Os2 C12 C13 C19 -121.1(12) . . . . ?
C11 C12 C13 Os2 -64.4(7) . . . . ?
C18 C12 C13 Os2 122.0(11) . . . . ?
C12 C13 C14 C15 0.0(12) . . . . ?
C19 C13 C14 C15 -174.4(11) . . . . ?
Os2 C13 C14 C15 64.0(7) . . . . ?
C12 C13 C14 C20 173.9(10) . . . . ?
C19 C13 C14 C20 -0.5(19) . . . . ?
Os2 C13 C14 C20 -122.0(11) . . . . ?
C12 C13 C14 Os2 -64.0(7) . . . . ?
C19 C13 C14 Os2 121.6(12) . . . . ?
C12 C11 C15 C14 0.3(11) . . . . ?
C17 C11 C15 C14 176.1(9) . . . . ?
Os2 C11 C15 C14 -61.5(7) . . . . ?
C12 C11 C15 C16 -172.5(9) . . . . ?
C17 C11 C15 C16 3.3(16) . . . . ?
Os2 C11 C15 C16 125.7(10) . . . . ?
C12 C11 C15 Os2 61.9(7) . . . . ?
C17 C11 C15 Os2 -122.3(10) . . . . ?
C13 C14 C15 C11 -0.2(11) . . . . ?
C20 C14 C15 C11 -174.1(10) . . . . ?
Os2 C14 C15 C11 62.2(7) . . . . ?
C13 C14 C15 C16 172.5(10) . . . . ?
C20 C14 C15 C16 -1.5(17) . . . . ?
Os2 C14 C15 C16 -125.2(10) . . . . ?
C13 C14 C15 Os2 -62.4(7) . . . . ?
C20 C14 C15 Os2 123.7(11) . . . . ?

_refine_diff_density_max         0.493
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.096

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_OS3
_database_code_depnum_ccdc_archive 'CCDC 2291111'
loop_
_audit_author_name
_audit_author_address
'Dr. P. K. SUDHADEVI ANTHARJANAM'
;SAIF, Indian Institute of Technology Madras
India
;
_audit_update_record             
;
2023-08-28 deposited with the CCDC.	2024-02-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H39 B9 Os2'
_chemical_formula_weight         757.20

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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'

_cell_length_a                   8.9252(10)
_cell_length_b                   14.6904(16)
_cell_length_c                   20.153(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.649(5)
_cell_angle_gamma                90
_cell_volume                     2605.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)

_cell_measurement_reflns_used    9174
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      29.55
_exptl_crystal_description       block
_exptl_crystal_colour            orange


_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_F_000             1424
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.336
_exptl_crystal_size_mid          0.224
_exptl_crystal_size_min          0.084
_exptl_absorpt_coefficient_mu    9.753
_shelx_estimated_absorpt_T_min   0.138
_shelx_estimated_absorpt_T_max   0.495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1376
_exptl_absorpt_correction_T_max  0.3471
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
'Bruker D8 VENTURE diffractometer with PHOTON II detector'
_diffrn_measurement_method       'ω and φ scan'



_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70440
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.021
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4586
_reflns_number_gt                3942
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX4 (Bruker, v2021.4-0)'
_computing_cell_refinement       'APEX4/SAINT V8.40B (Bruker, 2021)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2021)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2019/3 (Sheldrick, 2019)'



_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0414P)²+32.5975P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4586
_refine_ls_number_parameters     284
_refine_ls_number_restraints     190
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.1278
_refine_ls_wR_factor_gt          0.1139
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001

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 . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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_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_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) . . . . ?

_refine_diff_density_max         3.927
_refine_diff_density_min         -1.990
_refine_diff_density_rms         0.176

# start Validation Reply Form
_vrf_PLAT971_OS3                 
;
PROBLEM: Check Calcd Resid. Dens.  0.87Ang From Os2             3.90 eA-3  
RESPONSE: These are Fourier truncation ripples around the heavy atom
;
_vrf_PLAT342_OS3                 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.024 Ang.  
RESPONSE: The accuracies in C-C bond are low due to disorder in 
cyclopentadienyl moiety.
;
# end Validation Reply Form


