#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:43:21 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179074 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/36/4303628.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_4303628
loop_
_publ_author_name
'Gabriel E. Büchel'
'Iryna N. Stepanenko'
'Michaela Hejl'
'Michael A. Jakupec'
'Vladimir B. Arion'
'Bernhard K. Keppler'
_publ_section_title
;
[OsIVCl5(Hazole)]- Complexes: Synthesis, Structure, Spectroscopic
Properties, and Antiproliferative Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10737
_journal_page_last               10747
_journal_paper_doi               10.1021/ic901671j
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C16 H36 N, C7 H6 Cl5 N2 Os'
_chemical_formula_sum            'C23 H42 Cl5 N3 Os'
_chemical_formula_weight         728.05
_chemical_name_systematic
; 
tetrabuthylammonium-pentachloridoindazoleosmate(IV) 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.992(5)
_cell_angle_beta                 96.282(6)
_cell_angle_gamma                91.468(5)
_cell_formula_units_Z            2
_cell_length_a                   9.8278(8)
_cell_length_b                   10.9541(8)
_cell_length_c                   14.7537(12)
_cell_measurement_reflns_used    1997
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      2.43
_cell_volume                     1480.3(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            61382
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    4.775
_exptl_absorpt_correction_T_max  0.7626
_exptl_absorpt_correction_T_min  0.6467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.194
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         7137
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0264P)²+0.7059P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0558
_refine_ls_wR_factor_ref         0.0600
_reflns_number_gt                5945
_reflns_number_total             7137
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901671j_si_002_5.cif
_cod_data_source_block           irst460
_cod_database_code               4303628
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os 0.635146(14) 0.640723(13) 0.725829(10) 0.02152(5) Uani 1 1 d . . .
Cl1 Cl 0.56303(9) 0.72639(8) 0.60485(7) 0.02735(19) Uani 1 1 d . . .
Cl2 Cl 0.81365(9) 0.80008(8) 0.78495(7) 0.0322(2) Uani 1 1 d . . .
Cl3 Cl 0.71652(10) 0.55490(10) 0.84446(7) 0.0375(2) Uani 1 1 d . . .
Cl4 Cl 0.46011(9) 0.47602(8) 0.66185(7) 0.02846(19) Uani 1 1 d . . .
Cl5 Cl 0.49253(9) 0.77022(9) 0.82886(7) 0.0344(2) Uani 1 1 d . . .
N1 N 0.7595(3) 0.5216(3) 0.6337(2) 0.0226(6) Uani 1 1 d . . .
N2 N 0.7139(3) 0.4440(3) 0.5415(2) 0.0258(6) Uani 1 1 d . . .
H2 H 0.6294 0.4384 0.5130 0.031 Uiso 1 1 calc R . .
N3 N 0.5340(3) 0.1844(3) 0.8491(2) 0.0247(6) Uani 1 1 d . . .
C1 C 0.8184(4) 0.3754(3) 0.4990(3) 0.0262(8) Uani 1 1 d . . .
C2 C 0.8194(4) 0.2871(3) 0.4057(3) 0.0350(9) Uani 1 1 d . . .
H2A H 0.7395 0.2629 0.3593 0.042 Uiso 1 1 calc R . .
C3 C 0.9441(4) 0.2367(4) 0.3846(3) 0.0401(10) Uani 1 1 d . . .
H3 H 0.9501 0.1754 0.3217 0.048 Uiso 1 1 calc R . .
C4 C 1.0628(4) 0.2730(4) 0.4531(3) 0.0360(10) Uani 1 1 d . . .
H4 H 1.1460 0.2351 0.4348 0.043 Uiso 1 1 calc R . .
C5 C 1.0629(4) 0.3597(4) 0.5440(3) 0.0316(9) Uani 1 1 d . . .
H5 H 1.1440 0.3838 0.5892 0.038 Uiso 1 1 calc R . .
C6 C 0.9354(3) 0.4133(3) 0.5688(3) 0.0249(8) Uani 1 1 d . . .
C7 C 0.8919(4) 0.5045(3) 0.6512(3) 0.0259(8) Uani 1 1 d . . .
H7 H 0.9486 0.5477 0.7108 0.031 Uiso 1 1 calc R . .
C8 C 0.4509(4) 0.0999(4) 0.8884(3) 0.0301(8) Uani 1 1 d . . .
H8A H 0.5067 0.0917 0.9458 0.036 Uiso 1 1 calc R . .
H8B H 0.4361 0.0117 0.8384 0.036 Uiso 1 1 calc R . .
C9 C 0.3119(4) 0.1449(5) 0.9178(3) 0.0470(12) Uani 1 1 d . B .
H9A H 0.2534 0.1532 0.8614 0.056 Uiso 1 1 calc R . .
H9B H 0.3241 0.2313 0.9701 0.056 Uiso 1 1 calc R . .
C10 C 0.2426(5) 0.0470(5) 0.9534(3) 0.0579(14) Uani 1 1 d D . .
H10A H 0.1787 0.0872 0.9977 0.069 Uiso 0.50 1 d PR A 1
H10B H 0.3106 0.0098 0.9861 0.069 Uiso 0.50 1 d PR A 1
H10C H 0.2906 0.0596 1.0166 0.069 Uiso 0.50 1 d PR A 2
H10D H 0.2647 -0.0368 0.9117 0.069 Uiso 0.50 1 d PR A 2
C11 C 0.1734(8) -0.0526(8) 0.8688(6) 0.0409(14) Uani 0.50 1 d PD B 1
H11A H 0.1283 -0.1190 0.8882 0.061 Uiso 0.50 1 calc PR B 1
H11B H 0.2401 -0.0929 0.8247 0.061 Uiso 0.50 1 calc PR B 1
H11C H 0.1044 -0.0141 0.8356 0.061 Uiso 0.50 1 calc PR B 1
C11X C 0.1020(7) 0.0343(8) 0.9651(6) 0.0409(14) Uani 0.50 1 d PD B 2
H11D H 0.0871 -0.0372 0.9894 0.061 Uiso 0.50 1 calc PR B 2
H11E H 0.0456 0.0157 0.9023 0.061 Uiso 0.50 1 calc PR B 2
H11F H 0.0762 0.1155 1.0117 0.061 Uiso 0.50 1 calc PR B 2
C12 C 0.5734(4) 0.3164(3) 0.9273(3) 0.0288(8) Uani 1 1 d . . .
H12A H 0.4912 0.3486 0.9589 0.035 Uiso 1 1 calc R . .
H12B H 0.6011 0.3779 0.8956 0.035 Uiso 1 1 calc R . .
C13 C 0.6886(4) 0.3184(4) 1.0056(3) 0.0309(8) Uani 1 1 d . . .
H13A H 0.7762 0.3033 0.9774 0.037 Uiso 1 1 calc R . .
H13B H 0.6695 0.2478 1.0310 0.037 Uiso 1 1 calc R . .
C14 C 0.7014(4) 0.4494(4) 1.0886(3) 0.0367(9) Uani 1 1 d . . .
H14A H 0.7175 0.5198 1.0624 0.044 Uiso 1 1 calc R . .
H14B H 0.6140 0.4632 1.1171 0.044 Uiso 1 1 calc R . .
C15 C 0.8175(4) 0.4578(5) 1.1679(3) 0.0470(11) Uani 1 1 d . . .
H15A H 0.8216 0.5433 1.2195 0.071 Uiso 1 1 calc R . .
H15B H 0.9046 0.4462 1.1404 0.071 Uiso 1 1 calc R . .
H15C H 0.8011 0.3894 1.1951 0.071 Uiso 1 1 calc R . .
C16 C 0.4511(4) 0.2084(3) 0.7649(2) 0.0269(8) Uani 1 1 d . . .
H16A H 0.5091 0.2633 0.7411 0.032 Uiso 1 1 calc R . .
H16B H 0.3723 0.2587 0.7894 0.032 Uiso 1 1 calc R . .
C17 C 0.3965(4) 0.0873(3) 0.6794(3) 0.0307(8) Uani 1 1 d . . .
H17A H 0.4720 0.0294 0.6601 0.037 Uiso 1 1 calc R . .
H17B H 0.3252 0.0394 0.6989 0.037 Uiso 1 1 calc R . .
C18 C 0.3360(4) 0.1233(4) 0.5936(3) 0.0339(9) Uani 1 1 d . . .
H18A H 0.2612 0.1818 0.6133 0.041 Uiso 1 1 calc R . .
H18B H 0.4077 0.1711 0.5742 0.041 Uiso 1 1 calc R . .
C19 C 0.2802(5) 0.0042(4) 0.5074(3) 0.0492(12) Uani 1 1 d . . .
H19A H 0.2417 0.0312 0.4537 0.074 Uiso 1 1 calc R . .
H19B H 0.2083 -0.0428 0.5261 0.074 Uiso 1 1 calc R . .
H19C H 0.3545 -0.0530 0.4867 0.074 Uiso 1 1 calc R . .
C20 C 0.6597(3) 0.1124(3) 0.8164(3) 0.0265(8) Uani 1 1 d . . .
H20A H 0.6293 0.0247 0.7690 0.032 Uiso 1 1 calc R . .
H20B H 0.7134 0.1007 0.8733 0.032 Uiso 1 1 calc R . .
C21 C 0.7534(4) 0.1812(3) 0.7697(3) 0.0288(8) Uani 1 1 d . . .
H21A H 0.7086 0.1752 0.7047 0.035 Uiso 1 1 calc R . .
H21B H 0.7693 0.2744 0.8103 0.035 Uiso 1 1 calc R . .
C22 C 0.8892(4) 0.1188(4) 0.7598(3) 0.0368(9) Uani 1 1 d . . .
H22A H 0.8720 0.0251 0.7207 0.044 Uiso 1 1 calc R . .
H22B H 0.9335 0.1259 0.8252 0.044 Uiso 1 1 calc R . .
C23 C 0.9867(4) 0.1808(4) 0.7123(3) 0.0446(11) Uani 1 1 d . . .
H23A H 1.0728 0.1372 0.7082 0.067 Uiso 1 1 calc R . .
H23B H 1.0053 0.2733 0.7512 0.067 Uiso 1 1 calc R . .
H23C H 0.9447 0.1717 0.6467 0.067 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Os Cl2 89.66(8) . . ?
N1 Os Cl5 178.69(8) . . ?
Cl2 Os Cl5 91.56(3) . . ?
N1 Os Cl4 88.27(8) . . ?
Cl2 Os Cl4 177.90(3) . . ?
Cl5 Os Cl4 90.51(3) . . ?
N1 Os Cl3 88.70(8) . . ?
Cl2 Os Cl3 88.74(4) . . ?
Cl5 Os Cl3 90.86(4) . . ?
Cl4 Os Cl3 91.56(4) . . ?
N1 Os Cl1 89.34(8) . . ?
Cl2 Os Cl1 89.76(3) . . ?
Cl5 Os Cl1 91.13(3) . . ?
Cl4 Os Cl1 89.87(3) . . ?
Cl3 Os Cl1 177.53(3) . . ?
C7 N1 N2 107.9(3) . . ?
C7 N1 Os 128.7(2) . . ?
N2 N1 Os 123.3(2) . . ?
N1 N2 C1 110.1(3) . . ?
N1 N2 H2 124.9 . . ?
C1 N2 H2 124.9 . . ?
C16 N3 C8 110.9(3) . . ?
C16 N3 C20 110.6(3) . . ?
C8 N3 C20 106.8(3) . . ?
C16 N3 C12 107.1(3) . . ?
C8 N3 C12 110.1(3) . . ?
C20 N3 C12 111.5(3) . . ?
N2 C1 C2 130.0(4) . . ?
N2 C1 C6 106.7(3) . . ?
C2 C1 C6 123.3(3) . . ?
C3 C2 C1 115.6(4) . . ?
C3 C2 H2A 122.2 . . ?
C1 C2 H2A 122.2 . . ?
C2 C3 C4 122.3(4) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C5 C4 C3 122.5(4) . . ?
C5 C4 H4 118.7 . . ?
C3 C4 H4 118.7 . . ?
C4 C5 C6 116.9(4) . . ?
C4 C5 H5 121.6 . . ?
C6 C5 H5 121.6 . . ?
C7 C6 C1 105.3(3) . . ?
C7 C6 C5 135.2(4) . . ?
C1 C6 C5 119.4(3) . . ?
N1 C7 C6 110.0(3) . . ?
N1 C7 H7 125.0 . . ?
C6 C7 H7 125.0 . . ?
N3 C8 C9 117.2(3) . . ?
N3 C8 H8A 108.0 . . ?
C9 C8 H8A 108.0 . . ?
N3 C8 H8B 108.0 . . ?
C9 C8 H8B 108.0 . . ?
H8A C8 H8B 107.2 . . ?
C8 C9 C10 109.7(4) . . ?
C8 C9 H9A 109.7 . . ?
C10 C9 H9A 109.7 . . ?
C8 C9 H9B 109.7 . . ?
C10 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
C11X C10 C11 71.0(5) . . ?
C11X C10 C9 127.6(6) . . ?
C11 C10 C9 106.6(5) . . ?
C11 C10 H10A 110.6 . . ?
C9 C10 H10A 111.4 . . ?
C11X C10 H10B 120.3 . . ?
C11 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.7 . . ?
C11X C10 H10C 104.3 . . ?
C11 C10 H10C 141.6 . . ?
C9 C10 H10C 105.7 . . ?
H10A C10 H10C 75.6 . . ?
C11X C10 H10D 106.3 . . ?
C9 C10 H10D 105.2 . . ?
H10A C10 H10D 141.4 . . ?
H10B C10 H10D 68.4 . . ?
H10C C10 H10D 106.2 . . ?
C10 C11 H11A 109.5 . . ?
H10D C11 H11A 100.5 . . ?
C10 C11 H11B 109.5 . . ?
H10D C11 H11B 74.8 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H10D C11 H11C 145.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C11X H11D 109.5 . . ?
H10A C11X H11D 112.1 . . ?
C10 C11X H11E 109.5 . . ?
H10A C11X H11E 135.9 . . ?
H11D C11X H11E 109.5 . . ?
C10 C11X H11F 109.5 . . ?
H10A C11X H11F 69.5 . . ?
H11D C11X H11F 109.5 . . ?
H11E C11X H11F 109.5 . . ?
N3 C12 C13 115.4(3) . . ?
N3 C12 H12A 108.4 . . ?
C13 C12 H12A 108.4 . . ?
N3 C12 H12B 108.4 . . ?
C13 C12 H12B 108.4 . . ?
H12A C12 H12B 107.5 . . ?
C12 C13 C14 110.3(3) . . ?
C12 C13 H13A 109.6 . . ?
C14 C13 H13A 109.6 . . ?
C12 C13 H13B 109.6 . . ?
C14 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C15 C14 C13 112.4(3) . . ?
C15 C14 H14A 109.1 . . ?
C13 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C16 C17 115.7(3) . . ?
N3 C16 H16A 108.4 . . ?
C17 C16 H16A 108.4 . . ?
N3 C16 H16B 108.4 . . ?
C17 C16 H16B 108.4 . . ?
H16A C16 H16B 107.4 . . ?
C18 C17 C16 110.8(3) . . ?
C18 C17 H17A 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C19 C18 C17 111.9(3) . . ?
C19 C18 H18A 109.2 . . ?
C17 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C21 114.1(3) . . ?
N3 C20 H20A 108.7 . . ?
C21 C20 H20A 108.7 . . ?
N3 C20 H20B 108.7 . . ?
C21 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
C22 C21 C20 110.1(3) . . ?
C22 C21 H21A 109.6 . . ?
C20 C21 H21A 109.6 . . ?
C22 C21 H21B 109.6 . . ?
C20 C21 H21B 109.6 . . ?
H21A C21 H21B 108.2 . . ?
C21 C22 C23 113.0(3) . . ?
C21 C22 H22A 109.0 . . ?
C23 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C23 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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
Os N1 2.068(3) . ?
Os Cl2 2.3135(9) . ?
Os Cl5 2.3197(9) . ?
Os Cl4 2.3295(9) . ?
Os Cl3 2.3332(10) . ?
Os Cl1 2.3391(9) . ?
N1 C7 1.329(4) . ?
N1 N2 1.353(4) . ?
N2 C1 1.367(4) . ?
N2 H2 0.8800 . ?
N3 C16 1.513(4) . ?
N3 C8 1.514(4) . ?
N3 C20 1.517(4) . ?
N3 C12 1.518(4) . ?
C1 C2 1.388(5) . ?
C1 C6 1.407(5) . ?
C2 C3 1.380(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.409(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.352(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.429(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.401(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.522(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.522(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11X 1.421(7) . ?
C10 C11 1.434(7) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9601 . ?
C10 H10D 0.9600 . ?
C11 H10D 1.0140 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11X H10A 0.9189 . ?
C11X H11D 0.9800 . ?
C11X H11E 0.9800 . ?
C11X H11F 0.9800 . ?
C12 C13 1.520(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.526(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.519(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.520(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.516(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.516(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.533(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.513(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.520(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
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
Cl2 Os N1 C7 39.6(3) . . . . ?
Cl4 Os N1 C7 -140.7(3) . . . . ?
Cl3 Os N1 C7 -49.1(3) . . . . ?
Cl1 Os N1 C7 129.4(3) . . . . ?
Cl2 Os N1 N2 -141.2(2) . . . . ?
Cl4 Os N1 N2 38.4(2) . . . . ?
Cl3 Os N1 N2 130.0(2) . . . . ?
Cl1 Os N1 N2 -51.5(2) . . . . ?
C7 N1 N2 C1 0.2(4) . . . . ?
Os N1 N2 C1 -179.1(2) . . . . ?
N1 N2 C1 C2 -178.6(3) . . . . ?
N1 N2 C1 C6 -0.3(4) . . . . ?
N2 C1 C2 C3 178.4(3) . . . . ?
C6 C1 C2 C3 0.3(5) . . . . ?
C1 C2 C3 C4 -0.3(6) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
C3 C4 C5 C6 0.6(5) . . . . ?
N2 C1 C6 C7 0.2(4) . . . . ?
C2 C1 C6 C7 178.7(3) . . . . ?
N2 C1 C6 C5 -178.3(3) . . . . ?
C2 C1 C6 C5 0.1(5) . . . . ?
C4 C5 C6 C7 -178.6(4) . . . . ?
C4 C5 C6 C1 -0.6(5) . . . . ?
N2 N1 C7 C6 -0.1(4) . . . . ?
Os N1 C7 C6 179.2(2) . . . . ?
C1 C6 C7 N1 -0.1(4) . . . . ?
C5 C6 C7 N1 178.1(3) . . . . ?
C16 N3 C8 C9 -54.1(4) . . . . ?
C20 N3 C8 C9 -174.6(3) . . . . ?
C12 N3 C8 C9 64.2(4) . . . . ?
N3 C8 C9 C10 178.9(3) . . . . ?
C8 C9 C10 C11X -163.4(6) . . . . ?
C8 C9 C10 C11 -85.0(5) . . . . ?
C16 N3 C12 C13 -163.7(3) . . . . ?
C8 N3 C12 C13 75.7(4) . . . . ?
C20 N3 C12 C13 -42.7(4) . . . . ?
N3 C12 C13 C14 -170.0(3) . . . . ?
C12 C13 C14 C15 -178.7(3) . . . . ?
C8 N3 C16 C17 -57.8(4) . . . . ?
C20 N3 C16 C17 60.5(4) . . . . ?
C12 N3 C16 C17 -177.9(3) . . . . ?
N3 C16 C17 C18 -170.6(3) . . . . ?
C16 C17 C18 C19 -179.7(3) . . . . ?
C16 N3 C20 C21 56.6(4) . . . . ?
C8 N3 C20 C21 177.3(3) . . . . ?
C12 N3 C20 C21 -62.4(4) . . . . ?
N3 C20 C21 C22 167.6(3) . . . . ?
C20 C21 C22 C23 179.0(3) . . . . ?
