#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/21/7012165.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7012165
loop_
_publ_author_name
'Li, Yat'
'Wong, Wing-Tak'
_publ_section_title
;
 Tetraosmium carbonyl clusters containing µ-NH2 amido ligands:
 syntheses, crystal structures and reactivities
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              398
_journal_paper_doi               10.1039/b208321c
_journal_year                    2003
_chemical_formula_moiety         'C21 H29 Cl N2 O15 Os5 '
_chemical_formula_sum            'C21 H29 Cl N2 O15 Os5'
_chemical_formula_weight         1535.92
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Wed Oct  9 22:09:10 2002'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                104.16(1)
_cell_angle_beta                 96.08(2)
_cell_angle_gamma                107.32(1)
_cell_formula_units_Z            2
_cell_length_a                   10.022(1)
_cell_length_b                   14.121(1)
_cell_length_c                   15.772(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2027.2(4)
_computing_cell_refinement       'SMART (Bruker, 1996)'
_computing_data_collection       'SMART (Bruker, 1996)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_publication_material  'teXsan (MSC, 1992)'
_computing_structure_refinement  'teXsan (MSC, 1992)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      298.2
_diffrn_measured_fraction_theta_full 27.5
_diffrn_measured_fraction_theta_max 27.5
_diffrn_measurement_device       'Bruker SMART 1K CCD Detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'Bruker SMART 1K CCD Detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.091
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12880
_diffrn_reflns_reduction_process 'SAINT+ (Bruker, 1999)'
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.723
_exptl_absorpt_correction_T_max  0.210
_exptl_absorpt_correction_T_min  0.121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1372.00
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         4.63
_refine_diff_density_min         -3.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5590
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0813
_refine_ls_shift/su_max          0.0163
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                5590
_reflns_number_total             8851
_reflns_threshold_expression     I>1.5Ĭ)
_cod_data_source_file            b208321c.txt
_cod_data_source_block           wt0406w_YAT084_compound_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 73 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C21 H29 Cl N2 O15 Os5 '
_cod_database_code               7012165
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Os(1) 0.5883(1) 0.12522(9) 0.33589(8) 0.0623(4) Uani ? ?
Os(2) 0.8424(1) 0.28919(10) 0.32125(8) 0.0668(4) Uani ? ?
Os(3) 0.5998(1) 0.34197(9) 0.35791(8) 0.0635(4) Uani ? ?
Os(4) 0.5773(1) 0.19042(8) 0.18415(7) 0.0495(3) Uani ? ?
Os(5) 0.6010(1) 0.30184(8) 0.02306(7) 0.0509(3) Uani ? ?
Cl(1) 0.5445(9) 0.4503(6) 0.1000(5) 0.077(3) Uani ? ?
O(1) 0.652(3) -0.068(2) 0.237(2) 0.13(1) Uani ? ?
O(2) 0.269(3) 0.005(3) 0.291(2) 0.13(1) Uani ? ?
O(3) 0.626(4) 0.104(3) 0.522(2) 0.14(1) Uani ? ?
O(4) 1.002(3) 0.382(2) 0.509(2) 0.15(1) Uani ? ?
O(5) 1.049(4) 0.184(3) 0.247(2) 0.18(2) Uani ? ?
O(6) 0.969(3) 0.488(2) 0.281(2) 0.13(1) Uani ? ?
O(7) 0.737(5) 0.433(3) 0.556(2) 0.16(1) Uani ? ?
O(8) 0.705(3) 0.550(2) 0.326(2) 0.15(1) Uani ? ?
O(9) 0.318(4) 0.364(3) 0.377(3) 0.20(2) Uani ? ?
O(10) 0.260(2) 0.092(2) 0.120(2) 0.087(8) Uani ? ?
O(11) 0.645(2) 0.011(2) 0.067(1) 0.086(8) Uani ? ?
O(12) 0.918(3) 0.421(2) 0.071(2) 0.13(1) Uani ? ?
O(13) 0.673(2) 0.120(2) -0.083(2) 0.087(8) Uani ? ?
O(14) 0.672(2) 0.325(2) -0.146(1) 0.085(8) Uani ? ?
O(15) 0.307(2) 0.241(2) -0.088(1) 0.086(8) Uani ? ?
N(1) 0.588(3) 0.359(2) -0.087(2) 0.09(1) Uani ? ?
N(2) 0.369(3) 0.227(2) -0.007(2) 0.10(1) Uani ? ?
C(1) 0.630(4) 0.007(3) 0.277(2) 0.08(1) Uani ? ?
C(2) 0.389(5) 0.048(3) 0.308(3) 0.10(1) Uani ? ?
C(3) 0.608(5) 0.106(4) 0.450(4) 0.14(2) Uani ? ?
C(4) 0.941(4) 0.356(3) 0.440(3) 0.09(1) Uani ? ?
C(5) 0.954(8) 0.220(5) 0.273(3) 0.22(3) Uani ? ?
C(6) 0.917(3) 0.400(3) 0.290(2) 0.09(1) Uani ? ?
C(7) 0.685(6) 0.409(3) 0.487(3) 0.14(2) Uani ? ?
C(8) 0.667(3) 0.466(3) 0.332(2) 0.07(1) Uani ? ?
C(9) 0.414(5) 0.354(3) 0.365(4) 0.12(2) Uani ? ?
C(10) 0.382(4) 0.125(2) 0.144(2) 0.08(1) Uani ? ?
C(11) 0.613(3) 0.078(2) 0.113(2) 0.055(8) Uani ? ?
C(12) 0.793(5) 0.377(2) 0.052(2) 0.09(1) Uani ? ?
C(13) 0.642(3) 0.188(2) -0.043(2) 0.060(9) Uani ? ?
C(14) 0.670(4) 0.351(2) -0.232(2) 0.07(1) Uani ? ?
C(15) 0.728(4) 0.468(3) -0.214(3) 0.11(2) Uani ? ?
C(16) 0.770(5) 0.303(3) -0.271(3) 0.12(2) Uani ? ?
C(17) 0.519(4) 0.300(4) -0.287(3) 0.13(2) Uani ? ?
C(18) 0.149(4) 0.211(4) -0.095(3) 0.13(2) Uani ? ?
C(19) 0.123(5) 0.229(5) -0.190(4) 0.19(3) Uani ? ?
C(20) 0.085(4) 0.102(4) -0.106(4) 0.16(2) Uani ? ?
C(21) 0.110(5) 0.283(5) -0.030(4) 0.29(3) Uani ? ?
H(1) 0.7860 0.1742 0.3607 0.0608 Uani ? ?
H(2) 0.5298 0.2302 0.3992 0.0608 Uani ? ?
H(3) 0.5192 0.3023 0.2395 0.0608 Uani ? ?
H(4) 0.7741 0.2432 0.2004 0.0608 Uani ? ?
H(5) 0.7113 0.2592 0.1059 0.0608 Uani ? ?
H(6) 0.4991 0.1712 0.0729 0.0608 Uani ? ?
H(7) 0.5657 0.3154 0.1466 0.0608 Uani ? ?
H(8) 0.5025 0.3372 -0.1134 0.1065 Uani ? ?
H(9) 0.6172 0.4239 -0.0692 0.1065 Uani ? ?
H(10) 0.3495 0.1634 -0.0131 0.1161 Uani ? ?
H(11) 0.3348 0.2534 0.0355 0.1161 Uani ? ?
H(12) 0.8172 0.4953 -0.1738 0.1300 Uani ? ?
H(13) 0.7406 0.4835 -0.2686 0.1300 Uani ? ?
H(14) 0.6629 0.4977 -0.1888 0.1300 Uani ? ?
H(15) 0.7354 0.2306 -0.2785 0.1494 Uani ? ?
H(16) 0.7770 0.3144 -0.3279 0.1494 Uani ? ?
H(17) 0.8608 0.3332 -0.2333 0.1494 Uani ? ?
H(18) 0.4550 0.3252 -0.2558 0.1536 Uani ? ?
H(19) 0.5169 0.3164 -0.3424 0.1536 Uani ? ?
H(20) 0.4913 0.2270 -0.2987 0.1536 Uani ? ?
H(21) 0.1729 0.2987 -0.1859 0.2304 Uani ? ?
H(22) 0.1576 0.1842 -0.2308 0.2304 Uani ? ?
H(23) 0.0244 0.2131 -0.2099 0.2304 Uani ? ?
H(24) -0.0147 0.0849 -0.1102 0.1963 Uani ? ?
H(25) 0.1053 0.0633 -0.1579 0.1963 Uani ? ?
H(26) 0.1241 0.0862 -0.0552 0.1963 Uani ? ?
H(27) 0.1493 0.2853 0.0277 0.3523 Uani ? ?
H(28) 0.1449 0.3503 -0.0382 0.3523 Uani ? ?
H(29) 0.0088 0.2622 -0.0377 0.3523 Uani ? ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Os 0 10 -1.216 7.603 'International Tables'
O 0 30 0.011 0.006 'International Tables'
C 0 42 0.003 0.002 'International Tables'
H 0 58 0.000 0.000 'International Tables'
N 0 4 0.006 0.003 'International Tables'
Cl 0 2 0.148 0.159 'International Tables'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Os(2) Os(1) Os(3) 56.91(4) ? ? ? yes
Os(2) Os(1) Os(4) 62.15(4) ? ? ? yes
Os(2) Os(1) C(1) 99.4(9) ? ? ? yes
Os(2) Os(1) C(2) 153(1) ? ? ? yes
Os(2) Os(1) C(3) 111(1) ? ? ? yes
Os(3) Os(1) Os(4) 62.47(4) ? ? ? yes
Os(3) Os(1) C(1) 150.6(9) ? ? ? yes
Os(3) Os(1) C(2) 103(1) ? ? ? yes
Os(3) Os(1) C(3) 107(1) ? ? ? yes
Os(4) Os(1) C(1) 92.1(9) ? ? ? yes
Os(4) Os(1) C(2) 93(1) ? ? ? yes
Os(4) Os(1) C(3) 170(1) ? ? ? yes
C(1) Os(1) C(2) 91(1) ? ? ? yes
C(1) Os(1) C(3) 96(1) ? ? ? yes
C(2) Os(1) C(3) 92(1) ? ? ? yes
Os(1) Os(2) Os(3) 61.51(4) ? ? ? yes
Os(1) Os(2) Os(4) 55.74(4) ? ? ? yes
Os(1) Os(2) C(4) 104(1) ? ? ? yes
Os(1) Os(2) C(5) 104(2) ? ? ? yes
Os(1) Os(2) C(6) 150(1) ? ? ? yes
Os(3) Os(2) Os(4) 61.86(4) ? ? ? yes
Os(3) Os(2) C(4) 92(1) ? ? ? yes
Os(3) Os(2) C(5) 161(2) ? ? ? yes
Os(3) Os(2) C(6) 93.1(10) ? ? ? yes
Os(4) Os(2) C(4) 152(1) ? ? ? yes
Os(4) Os(2) C(5) 100(2) ? ? ? yes
Os(4) Os(2) C(6) 99(1) ? ? ? yes
C(4) Os(2) C(5) 103(2) ? ? ? yes
C(4) Os(2) C(6) 91(1) ? ? ? yes
C(5) Os(2) C(6) 96(2) ? ? ? yes
Os(1) Os(3) Os(2) 61.57(4) ? ? ? yes
Os(1) Os(3) Os(4) 55.62(4) ? ? ? yes
Os(1) Os(3) C(7) 101(1) ? ? ? yes
Os(1) Os(3) C(8) 150.9(10) ? ? ? yes
Os(1) Os(3) C(9) 110.6(10) ? ? ? yes
Os(2) Os(3) Os(4) 61.40(4) ? ? ? yes
Os(2) Os(3) C(7) 92(1) ? ? ? yes
Os(2) Os(3) C(8) 92.6(10) ? ? ? yes
Os(2) Os(3) C(9) 169(1) ? ? ? yes
Os(4) Os(3) C(7) 151(1) ? ? ? yes
Os(4) Os(3) C(8) 101.5(9) ? ? ? yes
Os(4) Os(3) C(9) 108(1) ? ? ? yes
C(7) Os(3) C(8) 91(1) ? ? ? yes
C(7) Os(3) C(9) 96(2) ? ? ? yes
C(8) Os(3) C(9) 92(1) ? ? ? yes
Os(1) Os(4) Os(2) 62.12(4) ? ? ? yes
Os(1) Os(4) Os(3) 61.91(4) ? ? ? yes
Os(1) Os(4) C(10) 95(1) ? ? ? yes
Os(1) Os(4) C(11) 94.8(7) ? ? ? yes
Os(2) Os(4) Os(3) 56.74(4) ? ? ? yes
Os(2) Os(4) C(10) 154.5(9) ? ? ? yes
Os(2) Os(4) C(11) 101.8(7) ? ? ? yes
Os(3) Os(4) C(10) 103.6(8) ? ? ? yes
Os(3) Os(4) C(11) 153.1(7) ? ? ? yes
C(10) Os(4) C(11) 91(1) ? ? ? yes
Cl(1) Os(5) N(1) 85.0(7) ? ? ? yes
Cl(1) Os(5) N(2) 83.1(7) ? ? ? yes
Cl(1) Os(5) C(12) 91.3(10) ? ? ? yes
Cl(1) Os(5) C(13) 176.7(8) ? ? ? yes
N(1) Os(5) N(2) 89(1) ? ? ? yes
N(1) Os(5) C(12) 88(1) ? ? ? yes
N(1) Os(5) C(13) 91(1) ? ? ? yes
N(2) Os(5) C(12) 174(1) ? ? ? yes
N(2) Os(5) C(13) 96(1) ? ? ? yes
C(12) Os(5) C(13) 89(1) ? ? ? yes
N(1) O(14) C(14) 118(2) ? ? ? yes
N(2) O(15) C(18) 109(2) ? ? ? yes
Os(5) N(1) O(14) 110(1) ? ? ? yes
Os(5) N(2) O(15) 111(2) ? ? ? yes
Os(1) C(1) O(1) 177(3) ? ? ? yes
Os(1) C(2) O(2) 177(4) ? ? ? yes
Os(1) C(3) O(3) 173(5) ? ? ? yes
Os(2) C(4) O(4) 170(3) ? ? ? yes
Os(2) C(5) O(5) 170(6) ? ? ? yes
Os(2) C(6) O(6) 170(2) ? ? ? yes
Os(3) C(7) O(7) 169(3) ? ? ? yes
Os(3) C(8) O(8) 171(3) ? ? ? yes
Os(3) C(9) O(9) 173(5) ? ? ? yes
Os(4) C(10) O(10) 174(2) ? ? ? yes
Os(4) C(11) O(11) 174(2) ? ? ? yes
Os(5) C(12) O(12) 176(3) ? ? ? yes
Os(5) C(13) O(13) 177(2) ? ? ? yes
O(14) C(14) C(15) 110(2) ? ? ? yes
O(14) C(14) C(16) 101(2) ? ? ? yes
O(14) C(14) C(17) 108(2) ? ? ? yes
C(15) C(14) C(16) 110(2) ? ? ? yes
C(15) C(14) C(17) 113(3) ? ? ? yes
C(16) C(14) C(17) 111(3) ? ? ? yes
O(15) C(18) C(19) 93(3) ? ? ? yes
O(15) C(18) C(20) 110(3) ? ? ? yes
O(15) C(18) C(21) 112(4) ? ? ? yes
C(19) C(18) C(20) 107(5) ? ? ? yes
C(19) C(18) C(21) 110(5) ? ? ? yes
C(20) C(18) C(21) 118(5) ? ? ? yes
Os(2) Os(1) H(1) 36.37 ? ? ? yes
Os(2) Os(1) H(2) 87.67 ? ? ? yes
Os(3) Os(1) H(1) 87.66 ? ? ? yes
Os(3) Os(1) H(2) 36.29 ? ? ? yes
Os(4) Os(1) H(1) 92.39 ? ? ? yes
Os(4) Os(1) H(2) 92.72 ? ? ? yes
C(1) Os(1) H(1) 78.41 ? ? ? yes
C(1) Os(1) H(2) 172.75 ? ? ? yes
C(2) Os(1) H(1) 168.47 ? ? ? yes
C(2) Os(1) H(2) 83.14 ? ? ? yes
C(3) Os(1) H(1) 84.21 ? ? ? yes
C(3) Os(1) H(2) 79.34 ? ? ? yes
H(1) Os(1) H(2) 106.77 ? ? ? yes
Os(1) Os(2) H(1) 36.88 ? ? ? yes
Os(1) Os(2) H(4) 86.81 ? ? ? yes
Os(3) Os(2) H(1) 92.40 ? ? ? yes
Os(3) Os(2) H(4) 92.78 ? ? ? yes
Os(4) Os(2) H(1) 86.85 ? ? ? yes
Os(4) Os(2) H(4) 36.78 ? ? ? yes
C(4) Os(2) H(1) 83.95 ? ? ? yes
C(4) Os(2) H(4) 168.92 ? ? ? yes
C(5) Os(2) H(1) 79.82 ? ? ? yes
C(5) Os(2) H(4) 73.66 ? ? ? yes
C(6) Os(2) H(1) 172.89 ? ? ? yes
C(6) Os(2) H(4) 78.53 ? ? ? yes
H(1) Os(2) H(4) 105.69 ? ? ? yes
Os(1) Os(3) H(2) 36.96 ? ? ? yes
Os(1) Os(3) H(3) 87.86 ? ? ? yes
Os(2) Os(3) H(2) 92.61 ? ? ? yes
Os(2) Os(3) H(3) 92.55 ? ? ? yes
Os(4) Os(3) H(2) 86.90 ? ? ? yes
Os(4) Os(3) H(3) 37.65 ? ? ? yes
C(7) Os(3) H(2) 81.10 ? ? ? yes
C(7) Os(3) H(3) 170.13 ? ? ? yes
C(8) Os(3) H(2) 171.48 ? ? ? yes
C(8) Os(3) H(3) 79.58 ? ? ? yes
C(9) Os(3) H(2) 83.09 ? ? ? yes
C(9) Os(3) H(3) 79.30 ? ? ? yes
H(2) Os(3) H(3) 106.92 ? ? ? yes
Os(1) Os(4) H(3) 92.54 ? ? ? yes
Os(1) Os(4) H(4) 92.45 ? ? ? yes
Os(1) Os(4) H(5) 141.12 ? ? ? yes
Os(1) Os(4) H(6) 150.57 ? ? ? yes
Os(1) Os(4) H(7) 139.70 ? ? ? yes
Os(2) Os(4) H(3) 87.04 ? ? ? yes
Os(2) Os(4) H(4) 36.41 ? ? ? yes
Os(2) Os(4) H(5) 81.96 ? ? ? yes
Os(2) Os(4) H(6) 145.31 ? ? ? yes
Os(2) Os(4) H(7) 99.75 ? ? ? yes
Os(3) Os(4) H(3) 36.26 ? ? ? yes
Os(3) Os(4) H(4) 87.67 ? ? ? yes
Os(3) Os(4) H(5) 111.42 ? ? ? yes
Os(3) Os(4) H(6) 134.46 ? ? ? yes
Os(3) Os(4) H(7) 77.96 ? ? ? yes
C(10) Os(4) H(3) 82.19 ? ? ? yes
C(10) Os(4) H(4) 168.43 ? ? ? yes
C(10) Os(4) H(5) 122.61 ? ? ? yes
C(10) Os(4) H(6) 59.60 ? ? ? yes
C(10) Os(4) H(7) 90.36 ? ? ? yes
C(11) Os(4) H(3) 170.47 ? ? ? yes
C(11) Os(4) H(4) 79.74 ? ? ? yes
C(11) Os(4) H(5) 77.59 ? ? ? yes
C(11) Os(4) H(6) 72.41 ? ? ? yes
C(11) Os(4) H(7) 125.07 ? ? ? yes
H(3) Os(4) H(4) 106.09 ? ? ? yes
H(3) Os(4) H(5) 100.39 ? ? ? yes
H(3) Os(4) H(6) 98.29 ? ? ? yes
H(3) Os(4) H(7) 48.73 ? ? ? yes
H(4) Os(4) H(5) 48.77 ? ? ? yes
H(4) Os(4) H(6) 110.43 ? ? ? yes
H(4) Os(4) H(7) 89.31 ? ? ? yes
H(5) Os(4) H(6) 63.36 ? ? ? yes
H(5) Os(4) H(7) 56.36 ? ? ? yes
H(6) Os(4) H(7) 61.57 ? ? ? yes
Cl(1) Os(5) H(5) 110.68 ? ? ? yes
Cl(1) Os(5) H(6) 108.59 ? ? ? yes
Cl(1) Os(5) H(7) 60.96 ? ? ? yes
N(1) Os(5) H(5) 148.99 ? ? ? yes
N(1) Os(5) H(6) 142.75 ? ? ? yes
N(1) Os(5) H(7) 145.36 ? ? ? yes
N(2) Os(5) H(5) 117.73 ? ? ? yes
N(2) Os(5) H(6) 58.96 ? ? ? yes
N(2) Os(5) H(7) 80.66 ? ? ? yes
C(12) Os(5) H(5) 65.59 ? ? ? yes
C(12) Os(5) H(6) 124.71 ? ? ? yes
C(12) Os(5) H(7) 97.91 ? ? ? yes
C(13) Os(5) H(5) 72.54 ? ? ? yes
C(13) Os(5) H(6) 73.67 ? ? ? yes
C(13) Os(5) H(7) 122.19 ? ? ? yes
H(5) Os(5) H(6) 59.14 ? ? ? yes
H(5) Os(5) H(7) 59.54 ? ? ? yes
H(6) Os(5) H(7) 55.33 ? ? ? yes
Os(5) N(1) H(8) 109.33 ? ? ? yes
Os(5) N(1) H(9) 109.32 ? ? ? yes
O(14) N(1) H(8) 109.33 ? ? ? yes
O(14) N(1) H(9) 109.33 ? ? ? yes
H(8) N(1) H(9) 109.46 ? ? ? yes
Os(5) N(2) H(10) 109.07 ? ? ? yes
Os(5) N(2) H(11) 109.07 ? ? ? yes
O(15) N(2) H(10) 109.08 ? ? ? yes
O(15) N(2) H(11) 109.07 ? ? ? yes
H(10) N(2) H(11) 109.45 ? ? ? yes
C(14) C(15) H(12) 109.47 ? ? ? yes
C(14) C(15) H(13) 109.47 ? ? ? yes
C(14) C(15) H(14) 109.47 ? ? ? yes
H(12) C(15) H(13) 109.47 ? ? ? yes
H(12) C(15) H(14) 109.47 ? ? ? yes
H(13) C(15) H(14) 109.47 ? ? ? yes
C(14) C(16) H(15) 109.47 ? ? ? yes
C(14) C(16) H(16) 109.47 ? ? ? yes
C(14) C(16) H(17) 109.47 ? ? ? yes
H(15) C(16) H(16) 109.47 ? ? ? yes
H(15) C(16) H(17) 109.47 ? ? ? yes
H(16) C(16) H(17) 109.47 ? ? ? yes
C(14) C(17) H(18) 109.47 ? ? ? yes
C(14) C(17) H(19) 109.47 ? ? ? yes
C(14) C(17) H(20) 109.47 ? ? ? yes
H(18) C(17) H(19) 109.47 ? ? ? yes
H(18) C(17) H(20) 109.47 ? ? ? yes
H(19) C(17) H(20) 109.48 ? ? ? yes
C(18) C(19) H(21) 109.47 ? ? ? yes
C(18) C(19) H(22) 109.47 ? ? ? yes
C(18) C(19) H(23) 109.47 ? ? ? yes
H(21) C(19) H(22) 109.47 ? ? ? yes
H(21) C(19) H(23) 109.47 ? ? ? yes
H(22) C(19) H(23) 109.47 ? ? ? yes
C(18) C(20) H(24) 109.47 ? ? ? yes
C(18) C(20) H(25) 109.47 ? ? ? yes
C(18) C(20) H(26) 109.47 ? ? ? yes
H(24) C(20) H(25) 109.47 ? ? ? yes
H(24) C(20) H(26) 109.47 ? ? ? yes
H(25) C(20) H(26) 109.47 ? ? ? yes
C(18) C(21) H(27) 109.47 ? ? ? yes
C(18) C(21) H(28) 109.47 ? ? ? yes
C(18) C(21) H(29) 109.47 ? ? ? yes
H(27) C(21) H(28) 109.47 ? ? ? yes
H(27) C(21) H(29) 109.47 ? ? ? yes
H(28) C(21) H(29) 109.47 ? ? ? yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os(1) Os(2) 2.962(2) ? ? yes
Os(1) Os(3) 2.960(2) ? ? yes
Os(1) Os(4) 2.769(2) ? ? yes
Os(1) C(1) 1.89(4) ? ? yes
Os(1) C(2) 1.91(4) ? ? yes
Os(1) C(3) 1.89(5) ? ? yes
Os(2) Os(3) 2.822(2) ? ? yes
Os(2) Os(4) 2.963(2) ? ? yes
Os(2) C(4) 1.88(4) ? ? yes
Os(2) C(5) 1.80(5) ? ? yes
Os(2) C(6) 1.73(4) ? ? yes
Os(3) Os(4) 2.976(2) ? ? yes
Os(3) C(7) 1.99(5) ? ? yes
Os(3) C(8) 1.84(3) ? ? yes
Os(3) C(9) 1.93(4) ? ? yes
Os(4) C(10) 1.86(3) ? ? yes
Os(4) C(11) 1.86(3) ? ? yes
Os(5) Cl(1) 2.407(7) ? ? yes
Os(5) N(1) 2.09(3) ? ? yes
Os(5) N(2) 2.19(3) ? ? yes
Os(5) C(12) 1.84(4) ? ? yes
Os(5) C(13) 1.88(3) ? ? yes
O(1) C(1) 1.18(4) ? ? yes
O(2) C(2) 1.15(4) ? ? yes
O(3) C(3) 1.14(5) ? ? yes
O(4) C(4) 1.11(4) ? ? yes
O(5) C(5) 1.26(5) ? ? yes
O(6) C(6) 1.25(4) ? ? yes
O(7) C(7) 1.09(6) ? ? yes
O(8) C(8) 1.16(3) ? ? yes
O(9) C(9) 1.05(4) ? ? yes
O(10) C(10) 1.15(3) ? ? yes
O(11) C(11) 1.19(3) ? ? yes
O(12) C(12) 1.19(4) ? ? yes
O(13) C(13) 1.16(3) ? ? yes
O(14) N(1) 1.41(3) ? ? yes
O(14) C(14) 1.49(3) ? ? yes
O(15) N(2) 1.44(3) ? ? yes
O(15) C(18) 1.50(4) ? ? yes
C(14) C(15) 1.52(5) ? ? yes
C(14) C(16) 1.47(4) ? ? yes
C(14) C(17) 1.53(5) ? ? yes
C(18) C(19) 1.58(7) ? ? yes
C(18) C(20) 1.44(6) ? ? yes
C(18) C(21) 1.43(6) ? ? yes
Os(1) H(1) 1.856 ? ? yes
Os(1) H(2) 1.859 ? ? yes
Os(2) H(1) 1.834 ? ? yes
Os(2) H(4) 1.837 ? ? yes
Os(3) H(2) 1.830 ? ? yes
Os(3) H(3) 1.832 ? ? yes
Os(4) H(3) 1.892 ? ? yes
Os(4) H(4) 1.853 ? ? yes
Os(4) H(5) 2.106 ? ? yes
Os(4) H(6) 1.765 ? ? yes
Os(4) H(7) 2.025 ? ? yes
Os(5) H(5) 1.940 ? ? yes
Os(5) H(6) 2.197 ? ? yes
Os(5) H(7) 1.990 ? ? yes
N(1) H(8) 0.840 ? ? yes
N(1) H(9) 0.840 ? ? yes
N(2) H(10) 0.840 ? ? yes
N(2) H(11) 0.840 ? ? yes
C(15) H(12) 0.950 ? ? yes
C(15) H(13) 0.950 ? ? yes
C(15) H(14) 0.950 ? ? yes
C(16) H(15) 0.950 ? ? yes
C(16) H(16) 0.950 ? ? yes
C(16) H(17) 0.950 ? ? yes
C(17) H(18) 0.950 ? ? yes
C(17) H(19) 0.950 ? ? yes
C(17) H(20) 0.950 ? ? yes
C(19) H(21) 0.950 ? ? yes
C(19) H(22) 0.950 ? ? yes
C(19) H(23) 0.950 ? ? yes
C(20) H(24) 0.950 ? ? yes
C(20) H(25) 0.950 ? ? yes
C(20) H(26) 0.950 ? ? yes
C(21) H(27) 0.950 ? ? yes
C(21) H(28) 0.950 ? ? yes
C(21) H(29) 0.950 ? ? yes
