# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_kjk352

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H31 Cl4 N3 Os'
_chemical_formula_weight         729.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   6.38330(10)
_cell_length_b                   28.5636(6)
_cell_length_c                   15.9512(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.391(2)
_cell_angle_gamma                90.00
_cell_volume                     2877.25(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5560
_cell_measurement_theta_min      3.0917
_cell_measurement_theta_max      73.2812

_exptl_crystal_description       Plate
_exptl_crystal_colour            Orange
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1432
_exptl_absorpt_coefficient_mu    11.946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1083
_exptl_absorpt_correction_T_max  0.3919
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.54180
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10726
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.09
_diffrn_reflns_theta_max         67.48
_reflns_number_total             5178
_reflns_number_gt                4573
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0546P)^2^+37.6378P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5178
_refine_ls_number_parameters     317
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0641
_refine_ls_wR_factor_ref         0.1732
_refine_ls_wR_factor_gt          0.1693
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_restrained_S_all      1.192
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.00104(8) 0.808347(15) 0.80156(3) 0.03774(18) Uani 1 1 d . . .
Cl1 Cl -0.3337(4) 0.82958(11) 0.71875(19) 0.0535(7) Uani 1 1 d . . .
Cl2 Cl -0.1493(5) 0.72960(10) 0.78491(19) 0.0532(7) Uani 1 1 d . . .
N1 N 0.2118(14) 0.7651(3) 0.6549(5) 0.040(2) Uani 1 1 d . . .
N2 N 0.2823(16) 0.7726(3) 0.5809(6) 0.051(2) Uani 1 1 d . . .
N3 N 0.2198(17) 0.8159(3) 0.5615(6) 0.047(2) Uani 1 1 d . . .
C1 C 0.1126(16) 0.8030(3) 0.6866(6) 0.035(2) Uani 1 1 d . . .
C2 C 0.1212(17) 0.8361(4) 0.6225(7) 0.043(2) Uani 1 1 d . . .
C3 C 0.074(2) 0.8872(4) 0.6178(7) 0.047(3) Uani 1 1 d . . .
C4 C 0.246(2) 0.9180(4) 0.6352(8) 0.054(3) Uani 1 1 d . . .
H4 H 0.3820 0.9064 0.6505 0.065 Uiso 1 1 calc R . .
C5 C 0.211(3) 0.9661(5) 0.6295(10) 0.071(4) Uani 1 1 d . . .
H5 H 0.3246 0.9866 0.6412 0.085 Uiso 1 1 calc R . .
C6 C 0.011(3) 0.9833(5) 0.6069(11) 0.081(5) Uani 1 1 d . . .
H6 H -0.0122 1.0154 0.6039 0.097 Uiso 1 1 calc R . .
C7 C -0.155(3) 0.9530(6) 0.5886(10) 0.077(5) Uani 1 1 d . . .
H7 H -0.2903 0.9650 0.5716 0.093 Uiso 1 1 calc R . .
C8 C -0.128(2) 0.9048(5) 0.5947(8) 0.054(3) Uani 1 1 d . . .
H8 H -0.2432 0.8847 0.5835 0.065 Uiso 1 1 calc R . .
C9 C 0.263(2) 0.8369(5) 0.4835(8) 0.064(4) Uani 1 1 d . . .
H9A H 0.1930 0.8194 0.4362 0.096 Uiso 1 1 calc R . .
H9B H 0.4133 0.8367 0.4822 0.096 Uiso 1 1 calc R . .
H9C H 0.2130 0.8686 0.4801 0.096 Uiso 1 1 calc R . .
C10 C 0.287(2) 0.7226(4) 0.6986(8) 0.049(3) Uani 1 1 d . . .
H10A H 0.2263 0.7206 0.7508 0.058 Uiso 1 1 calc R . .
H10B H 0.4397 0.7250 0.7141 0.058 Uiso 1 1 calc R . .
C11 C 0.238(2) 0.6781(4) 0.6499(7) 0.047(3) Uani 1 1 d . . .
C12 C 0.390(2) 0.6439(5) 0.6505(9) 0.063(3) Uani 1 1 d . . .
H12 H 0.5267 0.6500 0.6770 0.076 Uiso 1 1 calc R . .
C13 C 0.346(3) 0.6008(5) 0.6133(11) 0.082(5) Uani 1 1 d . . .
H13 H 0.4503 0.5779 0.6156 0.098 Uiso 1 1 calc R . .
C14 C 0.140(4) 0.5925(5) 0.5717(10) 0.085(6) Uani 1 1 d . . .
H14 H 0.1056 0.5635 0.5468 0.102 Uiso 1 1 calc R . .
C15 C -0.010(3) 0.6263(5) 0.5676(9) 0.072(4) Uani 1 1 d . . .
H15 H -0.1445 0.6205 0.5388 0.087 Uiso 1 1 calc R . .
C16 C 0.035(2) 0.6695(4) 0.6056(8) 0.059(3) Uani 1 1 d . . .
H16 H -0.0684 0.6926 0.6018 0.071 Uiso 1 1 calc R . .
C17 C 0.267(3) 0.7373(5) 0.9478(9) 0.072(4) Uani 1 1 d . . .
H17A H 0.1658 0.7239 0.9801 0.108 Uiso 1 1 calc R . .
H17B H 0.4032 0.7386 0.9821 0.108 Uiso 1 1 calc R . .
H17C H 0.2748 0.7183 0.8987 0.108 Uiso 1 1 calc R . .
C18 C 0.197(2) 0.7863(4) 0.9202(7) 0.050(3) Uani 1 1 d . . .
C19 C 0.315(2) 0.8138(4) 0.8713(7) 0.051(3) Uani 1 1 d . . .
H19 H 0.4418 0.8023 0.8576 0.061 Uiso 1 1 calc R . .
C20 C 0.2441(18) 0.8583(4) 0.8426(7) 0.048(3) Uani 1 1 d . . .
H20 H 0.3254 0.8759 0.8103 0.057 Uiso 1 1 calc R . .
C21 C 0.052(2) 0.8769(4) 0.8621(8) 0.050(3) Uani 1 1 d . . .
C22 C -0.063(2) 0.8491(4) 0.9144(7) 0.053(3) Uani 1 1 d . . .
H22 H -0.1868 0.8610 0.9309 0.063 Uiso 1 1 calc R . .
C23 C 0.004(2) 0.8054(4) 0.9406(7) 0.052(3) Uani 1 1 d . . .
H23 H -0.0774 0.7877 0.9726 0.062 Uiso 1 1 calc R . .
C24 C -0.007(2) 0.9263(4) 0.8335(9) 0.060(3) Uani 1 1 d . . .
H24 H 0.0232 0.9299 0.7753 0.072 Uiso 1 1 calc R . .
C25 C 0.130(3) 0.9612(5) 0.8893(13) 0.103(6) Uani 1 1 d . . .
H25A H 0.0928 0.9924 0.8707 0.154 Uiso 1 1 calc R . .
H25B H 0.2764 0.9556 0.8853 0.154 Uiso 1 1 calc R . .
H25C H 0.1068 0.9574 0.9471 0.154 Uiso 1 1 calc R . .
C26 C -0.244(3) 0.9384(5) 0.8340(12) 0.085(5) Uani 1 1 d . . .
H26A H -0.2706 0.9700 0.8148 0.127 Uiso 1 1 calc R . .
H26B H -0.2777 0.9353 0.8905 0.127 Uiso 1 1 calc R . .
H26C H -0.3314 0.9174 0.7969 0.127 Uiso 1 1 calc R . .
Cl11 Cl 0.7067(11) 0.8971(2) 0.3800(4) 0.135(2) Uani 1 1 d . . .
Cl10 Cl 0.3090(12) 0.9309(3) 0.3015(6) 0.166(3) Uani 1 1 d . . .
C100 C 0.521(3) 0.8933(7) 0.2924(12) 0.097(6) Uani 1 1 d . . .
H10C H 0.4700 0.8613 0.2857 0.116 Uiso 1 1 calc R . .
H10D H 0.5841 0.9015 0.2427 0.116 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Os1 0.0397(3) 0.0380(3) 0.0368(3) 0.00052(19) 0.00984(18) -0.00213(18)
Cl1 0.0391(15) 0.0642(18) 0.0576(17) 0.0045(14) 0.0081(12) 0.0034(12)
Cl2 0.0556(17) 0.0445(14) 0.0585(17) 0.0031(12) 0.0047(13) -0.0126(12)
N1 0.045(5) 0.040(5) 0.034(5) 0.001(4) 0.009(4) -0.003(4)
N2 0.059(6) 0.048(5) 0.053(6) 0.004(4) 0.033(5) 0.012(5)
N3 0.064(6) 0.043(5) 0.038(5) -0.005(4) 0.017(4) -0.007(4)
C1 0.037(5) 0.038(5) 0.032(5) -0.002(4) 0.011(4) -0.007(4)
C2 0.041(6) 0.049(6) 0.042(6) -0.001(5) 0.016(5) 0.006(5)
C3 0.059(7) 0.040(6) 0.043(6) 0.005(5) 0.012(5) 0.003(5)
C4 0.057(7) 0.043(6) 0.065(8) 0.006(6) 0.022(6) 0.006(5)
C5 0.085(11) 0.044(7) 0.089(11) 0.007(7) 0.035(9) -0.009(7)
C6 0.117(14) 0.046(8) 0.086(11) 0.012(7) 0.039(10) 0.015(9)
C7 0.085(11) 0.065(9) 0.085(11) 0.024(8) 0.024(9) 0.028(8)
C8 0.049(7) 0.061(8) 0.055(7) 0.010(6) 0.015(6) 0.011(6)
C9 0.087(10) 0.064(8) 0.047(7) 0.002(6) 0.032(7) 0.003(7)
C10 0.052(7) 0.042(6) 0.052(7) 0.000(5) 0.008(5) 0.003(5)
C11 0.057(7) 0.046(6) 0.040(6) 0.004(5) 0.012(5) 0.007(5)
C12 0.072(9) 0.051(7) 0.068(9) 0.006(6) 0.011(7) 0.013(6)
C13 0.117(15) 0.042(8) 0.089(12) 0.002(7) 0.022(11) 0.015(8)
C14 0.164(19) 0.040(7) 0.057(9) -0.004(6) 0.033(10) -0.006(9)
C15 0.104(12) 0.056(8) 0.052(8) 0.000(6) -0.003(8) -0.020(8)
C16 0.072(9) 0.043(6) 0.057(8) 0.003(6) -0.004(7) 0.002(6)
C17 0.094(11) 0.050(8) 0.063(9) 0.011(7) -0.018(8) 0.006(7)
C18 0.055(7) 0.056(7) 0.036(6) 0.002(5) -0.002(5) 0.001(6)
C19 0.046(7) 0.062(8) 0.044(6) 0.001(5) 0.010(5) 0.004(5)
C20 0.044(6) 0.055(7) 0.043(6) -0.002(5) 0.004(5) -0.006(5)
C21 0.060(8) 0.045(6) 0.048(7) 0.004(5) 0.019(6) 0.000(5)
C22 0.070(8) 0.057(7) 0.035(6) -0.009(5) 0.018(5) 0.002(6)
C23 0.074(9) 0.047(7) 0.035(6) 0.000(5) 0.009(6) -0.004(6)
C24 0.068(9) 0.043(7) 0.070(8) 0.005(6) 0.016(7) 0.001(6)
C25 0.120(16) 0.044(8) 0.136(17) -0.019(9) -0.005(13) -0.002(9)
C26 0.102(13) 0.058(9) 0.098(12) 0.009(8) 0.025(10) 0.018(9)
Cl11 0.152(5) 0.117(4) 0.123(4) 0.027(4) -0.026(4) -0.034(4)
Cl10 0.138(6) 0.145(6) 0.211(8) -0.033(6) 0.014(5) 0.040(5)
C100 0.132(17) 0.073(11) 0.087(13) -0.004(9) 0.021(12) 0.005(11)

_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 C1 2.068(10) . y
Os1 C20 2.140(12) . y
Os1 C19 2.150(13) . y
Os1 C21 2.187(12) . y
Os1 C18 2.203(11) . y
Os1 C23 2.217(12) . y
Os1 C22 2.233(11) . y
Os1 Cl1 2.420(3) . y
Os1 Cl2 2.445(3) . y
N1 N2 1.341(12) . ?
N1 C1 1.386(13) . ?
N1 C10 1.447(14) . ?
N2 N3 1.323(13) . ?
N3 C2 1.362(14) . ?
N3 C9 1.444(15) . ?
C1 C2 1.400(15) . ?
C2 C3 1.489(15) . ?
C3 C8 1.381(17) . ?
C3 C4 1.402(17) . ?
C4 C5 1.390(17) . ?
C5 C6 1.37(2) . ?
C6 C7 1.37(2) . ?
C7 C8 1.391(19) . ?
C10 C11 1.500(16) . ?
C11 C12 1.374(17) . ?
C11 C16 1.405(18) . ?
C12 C13 1.38(2) . ?
C13 C14 1.41(3) . ?
C14 C15 1.35(2) . ?
C15 C16 1.386(18) . ?
C17 C18 1.515(17) . ?
C18 C19 1.399(17) . ?
C18 C23 1.427(18) . ?
C19 C20 1.404(17) . ?
C20 C21 1.410(17) . ?
C21 C22 1.433(17) . ?
C21 C24 1.512(17) . ?
C22 C23 1.367(17) . ?
C24 C25 1.52(2) . ?
C24 C26 1.56(2) . ?
Cl11 C100 1.70(2) . ?
Cl10 C100 1.75(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
C1 Os1 C20 89.6(4) . . ?
C1 Os1 C19 92.8(4) . . ?
C20 Os1 C19 38.2(4) . . ?
C1 Os1 C21 114.1(4) . . ?
C20 Os1 C21 38.0(5) . . ?
C19 Os1 C21 68.8(5) . . ?
C1 Os1 C18 121.0(5) . . ?
C20 Os1 C18 68.4(5) . . ?
C19 Os1 C18 37.5(5) . . ?
C21 Os1 C18 81.2(5) . . ?
C1 Os1 C23 158.5(5) . . ?
C20 Os1 C23 79.5(5) . . ?
C19 Os1 C23 67.2(5) . . ?
C21 Os1 C23 67.3(4) . . ?
C18 Os1 C23 37.7(5) . . ?
C1 Os1 C22 151.8(4) . . ?
C20 Os1 C22 67.4(5) . . ?
C19 Os1 C22 79.2(5) . . ?
C21 Os1 C22 37.8(4) . . ?
C18 Os1 C22 66.7(5) . . ?
C23 Os1 C22 35.8(4) . . ?
C1 Os1 Cl1 85.7(3) . . y
C20 Os1 Cl1 122.9(3) . . y
C19 Os1 Cl1 161.1(3) . . y
C21 Os1 Cl1 94.6(4) . . y
C18 Os1 Cl1 152.4(4) . . y
C23 Os1 Cl1 115.7(4) . . y
C22 Os1 Cl1 93.3(4) . . y
C1 Os1 Cl2 90.9(3) . . y
C20 Os1 Cl2 154.5(3) . . y
C19 Os1 Cl2 116.4(3) . . y
C21 Os1 Cl2 154.6(3) . . y
C18 Os1 Cl2 89.7(3) . . y
C23 Os1 Cl2 91.1(3) . . y
C22 Os1 Cl2 116.9(3) . . y
Cl1 Os1 Cl2 82.53(11) . . y
N2 N1 C1 115.3(9) . . ?
N2 N1 C10 115.3(9) . . ?
C1 N1 C10 128.1(9) . . ?
N3 N2 N1 103.1(8) . . ?
N2 N3 C2 112.6(9) . . ?
N2 N3 C9 120.0(10) . . ?
C2 N3 C9 127.4(10) . . ?
N1 C1 C2 101.1(8) . . ?
N1 C1 Os1 128.0(7) . . ?
C2 C1 Os1 130.8(8) . . ?
N3 C2 C1 107.9(9) . . ?
N3 C2 C3 119.4(10) . . ?
C1 C2 C3 132.0(10) . . ?
C8 C3 C4 119.8(11) . . ?
C8 C3 C2 122.9(11) . . ?
C4 C3 C2 117.3(11) . . ?
C5 C4 C3 119.6(13) . . ?
C6 C5 C4 120.4(14) . . ?
C7 C6 C5 119.7(14) . . ?
C6 C7 C8 121.7(15) . . ?
C3 C8 C7 118.8(14) . . ?
N1 C10 C11 115.6(10) . . ?
C12 C11 C16 118.4(12) . . ?
C12 C11 C10 120.5(12) . . ?
C16 C11 C10 121.0(11) . . ?
C11 C12 C13 122.4(15) . . ?
C12 C13 C14 118.0(15) . . ?
C15 C14 C13 120.5(14) . . ?
C14 C15 C16 121.1(16) . . ?
C15 C16 C11 119.4(13) . . ?
C19 C18 C23 117.7(11) . . ?
C19 C18 C17 121.5(13) . . ?
C23 C18 C17 120.8(12) . . ?
C19 C18 Os1 69.2(7) . . ?
C23 C18 Os1 71.7(7) . . ?
C17 C18 Os1 128.3(9) . . ?
C18 C19 C20 121.1(12) . . ?
C18 C19 Os1 73.3(7) . . ?
C20 C19 Os1 70.5(7) . . ?
C19 C20 C21 121.2(11) . . ?
C19 C20 Os1 71.3(7) . . ?
C21 C20 Os1 72.8(7) . . ?
C20 C21 C22 117.2(11) . . ?
C20 C21 C24 118.2(11) . . ?
C22 C21 C24 124.4(11) . . ?
C20 C21 Os1 69.2(7) . . ?
C22 C21 Os1 72.8(7) . . ?
C24 C21 Os1 133.4(9) . . ?
C23 C22 C21 121.2(12) . . ?
C23 C22 Os1 71.5(7) . . ?
C21 C22 Os1 69.4(7) . . ?
C22 C23 C18 121.6(12) . . ?
C22 C23 Os1 72.7(7) . . ?
C18 C23 Os1 70.6(7) . . ?
C21 C24 C25 109.6(12) . . ?
C21 C24 C26 114.1(11) . . ?
C25 C24 C26 109.1(13) . . ?
Cl11 C100 Cl10 110.3(11) . . ?

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
C1 N1 N2 N3 -2.7(13) . . . . ?
C10 N1 N2 N3 -170.4(9) . . . . ?
N1 N2 N3 C2 2.6(13) . . . . ?
N1 N2 N3 C9 -178.8(11) . . . . ?
N2 N1 C1 C2 1.7(12) . . . . ?
C10 N1 C1 C2 167.6(11) . . . . ?
N2 N1 C1 Os1 -175.2(8) . . . . ?
C10 N1 C1 Os1 -9.3(16) . . . . ?
C20 Os1 C1 N1 111.4(10) . . . . ?
C19 Os1 C1 N1 73.4(10) . . . . ?
C21 Os1 C1 N1 141.4(9) . . . . ?
C18 Os1 C1 N1 47.2(11) . . . . ?
C23 Os1 C1 N1 52.4(16) . . . . ?
C22 Os1 C1 N1 145.5(10) . . . . ?
Cl1 Os1 C1 N1 -125.5(9) . . . . ?
Cl2 Os1 C1 N1 -43.1(9) . . . . ?
C20 Os1 C1 C2 -64.5(11) . . . . ?
C19 Os1 C1 C2 -102.5(11) . . . . ?
C21 Os1 C1 C2 -34.5(12) . . . . ?
C18 Os1 C1 C2 -128.7(10) . . . . ?
C23 Os1 C1 C2 -123.5(13) . . . . ?
C22 Os1 C1 C2 -30.4(16) . . . . ?
Cl1 Os1 C1 C2 58.6(10) . . . . ?
Cl2 Os1 C1 C2 141.0(10) . . . . ?
N2 N3 C2 C1 -1.7(14) . . . . ?
C9 N3 C2 C1 179.8(12) . . . . ?
N2 N3 C2 C3 169.6(11) . . . . ?
C9 N3 C2 C3 -8.8(19) . . . . ?
N1 C1 C2 N3 0.0(12) . . . . ?
Os1 C1 C2 N3 176.7(8) . . . . ?
N1 C1 C2 C3 -169.8(12) . . . . ?
Os1 C1 C2 C3 6.9(19) . . . . ?
N3 C2 C3 C8 106.4(14) . . . . ?
C1 C2 C3 C8 -84.6(17) . . . . ?
N3 C2 C3 C4 -71.5(15) . . . . ?
C1 C2 C3 C4 97.4(15) . . . . ?
C8 C3 C4 C5 0.3(19) . . . . ?
C2 C3 C4 C5 178.3(12) . . . . ?
C3 C4 C5 C6 0(2) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
C5 C6 C7 C8 2(3) . . . . ?
C4 C3 C8 C7 0.6(19) . . . . ?
C2 C3 C8 C7 -177.3(12) . . . . ?
C6 C7 C8 C3 -2(2) . . . . ?
N2 N1 C10 C11 -57.8(14) . . . . ?
C1 N1 C10 C11 136.3(11) . . . . ?
N1 C10 C11 C12 136.7(12) . . . . ?
N1 C10 C11 C16 -46.0(16) . . . . ?
C16 C11 C12 C13 -4(2) . . . . ?
C10 C11 C12 C13 173.8(13) . . . . ?
C11 C12 C13 C14 2(2) . . . . ?
C12 C13 C14 C15 1(2) . . . . ?
C13 C14 C15 C16 -1(2) . . . . ?
C14 C15 C16 C11 -1(2) . . . . ?
C12 C11 C16 C15 3.1(19) . . . . ?
C10 C11 C16 C15 -174.2(12) . . . . ?
C1 Os1 C18 C19 46.4(9) . . . . ?
C20 Os1 C18 C19 -29.3(7) . . . . ?
C21 Os1 C18 C19 -66.5(8) . . . . ?
C23 Os1 C18 C19 -130.4(11) . . . . ?
C22 Os1 C18 C19 -103.0(8) . . . . ?
Cl1 Os1 C18 C19 -149.5(7) . . . . ?
Cl2 Os1 C18 C19 137.4(7) . . . . ?
C1 Os1 C18 C23 176.9(6) . . . . ?
C20 Os1 C18 C23 101.2(8) . . . . ?
C19 Os1 C18 C23 130.4(11) . . . . ?
C21 Os1 C18 C23 63.9(7) . . . . ?
C22 Os1 C18 C23 27.4(7) . . . . ?
Cl1 Os1 C18 C23 -19.1(12) . . . . ?
Cl2 Os1 C18 C23 -92.2(7) . . . . ?
C1 Os1 C18 C17 -67.9(14) . . . . ?
C20 Os1 C18 C17 -143.6(14) . . . . ?
C19 Os1 C18 C17 -114.3(16) . . . . ?
C21 Os1 C18 C17 179.2(13) . . . . ?
C23 Os1 C18 C17 115.2(16) . . . . ?
C22 Os1 C18 C17 142.6(14) . . . . ?
Cl1 Os1 C18 C17 96.2(14) . . . . ?
Cl2 Os1 C18 C17 23.0(13) . . . . ?
C23 C18 C19 C20 -0.7(17) . . . . ?
C17 C18 C19 C20 177.0(11) . . . . ?
Os1 C18 C19 C20 54.0(10) . . . . ?
C23 C18 C19 Os1 -54.7(10) . . . . ?
C17 C18 C19 Os1 123.0(11) . . . . ?
C1 Os1 C19 C18 -141.5(8) . . . . ?
C20 Os1 C19 C18 132.7(11) . . . . ?
C21 Os1 C19 C18 103.6(8) . . . . ?
C23 Os1 C19 C18 30.3(7) . . . . ?
C22 Os1 C19 C18 65.7(8) . . . . ?
Cl1 Os1 C19 C18 133.5(9) . . . . ?
Cl2 Os1 C19 C18 -49.1(8) . . . . ?
C1 Os1 C19 C20 85.7(7) . . . . ?
C21 Os1 C19 C20 -29.1(7) . . . . ?
C18 Os1 C19 C20 -132.7(11) . . . . ?
C23 Os1 C19 C20 -102.4(8) . . . . ?
C22 Os1 C19 C20 -67.0(7) . . . . ?
Cl1 Os1 C19 C20 0.8(15) . . . . ?
Cl2 Os1 C19 C20 178.2(6) . . . . ?
C18 C19 C20 C21 0.0(18) . . . . ?
Os1 C19 C20 C21 55.3(10) . . . . ?
C18 C19 C20 Os1 -55.3(11) . . . . ?
C1 Os1 C20 C19 -95.1(7) . . . . ?
C21 Os1 C20 C19 132.6(10) . . . . ?
C18 Os1 C20 C19 28.7(7) . . . . ?
C23 Os1 C20 C19 66.3(7) . . . . ?
C22 Os1 C20 C19 101.6(8) . . . . ?
Cl1 Os1 C20 C19 -179.7(6) . . . . ?
Cl2 Os1 C20 C19 -3.8(12) . . . . ?
C1 Os1 C20 C21 132.3(7) . . . . ?
C19 Os1 C20 C21 -132.6(10) . . . . ?
C18 Os1 C20 C21 -103.9(8) . . . . ?
C23 Os1 C20 C21 -66.3(7) . . . . ?
C22 Os1 C20 C21 -31.0(7) . . . . ?
Cl1 Os1 C20 C21 47.7(8) . . . . ?
Cl2 Os1 C20 C21 -136.4(7) . . . . ?
C19 C20 C21 C22 2.0(18) . . . . ?
Os1 C20 C21 C22 56.5(10) . . . . ?
C19 C20 C21 C24 176.4(11) . . . . ?
Os1 C20 C21 C24 -129.0(11) . . . . ?
C19 C20 C21 Os1 -54.5(10) . . . . ?
C1 Os1 C21 C20 -54.1(8) . . . . ?
C19 Os1 C21 C20 29.2(7) . . . . ?
C18 Os1 C21 C20 66.0(7) . . . . ?
C23 Os1 C21 C20 102.5(8) . . . . ?
C22 Os1 C21 C20 129.1(11) . . . . ?
Cl1 Os1 C21 C20 -141.5(6) . . . . ?
Cl2 Os1 C21 C20 136.3(7) . . . . ?
C1 Os1 C21 C22 176.8(7) . . . . ?
C20 Os1 C21 C22 -129.1(11) . . . . ?
C19 Os1 C21 C22 -99.8(8) . . . . ?
C18 Os1 C21 C22 -63.1(8) . . . . ?
C23 Os1 C21 C22 -26.5(8) . . . . ?
Cl1 Os1 C21 C22 89.5(7) . . . . ?
Cl2 Os1 C21 C22 7.3(13) . . . . ?
C1 Os1 C21 C24 55.5(13) . . . . ?
C20 Os1 C21 C24 109.6(14) . . . . ?
C19 Os1 C21 C24 138.8(13) . . . . ?
C18 Os1 C21 C24 175.6(13) . . . . ?
C23 Os1 C21 C24 -147.9(14) . . . . ?
C22 Os1 C21 C24 -121.4(16) . . . . ?
Cl1 Os1 C21 C24 -31.9(12) . . . . ?
Cl2 Os1 C21 C24 -114.1(11) . . . . ?
C20 C21 C22 C23 -3.3(18) . . . . ?
C24 C21 C22 C23 -177.4(12) . . . . ?
Os1 C21 C22 C23 51.4(11) . . . . ?
C20 C21 C22 Os1 -54.7(10) . . . . ?
C24 C21 C22 Os1 131.2(13) . . . . ?
C1 Os1 C22 C23 -141.3(10) . . . . ?
C20 Os1 C22 C23 -104.0(9) . . . . ?
C19 Os1 C22 C23 -65.9(9) . . . . ?
C21 Os1 C22 C23 -135.2(12) . . . . ?
C18 Os1 C22 C23 -28.7(8) . . . . ?
Cl1 Os1 C22 C23 131.6(8) . . . . ?
Cl2 Os1 C22 C23 48.3(9) . . . . ?
C1 Os1 C22 C21 -6.1(14) . . . . ?
C20 Os1 C22 C21 31.2(7) . . . . ?
C19 Os1 C22 C21 69.3(8) . . . . ?
C18 Os1 C22 C21 106.4(8) . . . . ?
C23 Os1 C22 C21 135.2(12) . . . . ?
Cl1 Os1 C22 C21 -93.2(7) . . . . ?
Cl2 Os1 C22 C21 -176.5(6) . . . . ?
C21 C22 C23 C18 2.7(19) . . . . ?
Os1 C22 C23 C18 53.2(10) . . . . ?
C21 C22 C23 Os1 -50.5(11) . . . . ?
C19 C18 C23 C22 -0.7(18) . . . . ?
C17 C18 C23 C22 -178.3(12) . . . . ?
Os1 C18 C23 C22 -54.1(11) . . . . ?
C19 C18 C23 Os1 53.5(10) . . . . ?
C17 C18 C23 Os1 -124.2(11) . . . . ?
C1 Os1 C23 C22 126.3(11) . . . . ?
C20 Os1 C23 C22 65.6(8) . . . . ?
C19 Os1 C23 C22 103.5(9) . . . . ?
C21 Os1 C23 C22 27.9(8) . . . . ?
C18 Os1 C23 C22 133.7(12) . . . . ?
Cl1 Os1 C23 C22 -56.0(9) . . . . ?
Cl2 Os1 C23 C22 -138.2(8) . . . . ?
C1 Os1 C23 C18 -7.4(15) . . . . ?
C20 Os1 C23 C18 -68.1(8) . . . . ?
C19 Os1 C23 C18 -30.2(7) . . . . ?
C21 Os1 C23 C18 -105.8(8) . . . . ?
C22 Os1 C23 C18 -133.7(12) . . . . ?
Cl1 Os1 C23 C18 170.3(6) . . . . ?
Cl2 Os1 C23 C18 88.1(7) . . . . ?
C20 C21 C24 C25 -74.2(17) . . . . ?
C22 C21 C24 C25 99.8(17) . . . . ?
Os1 C21 C24 C25 -161.4(12) . . . . ?
C20 C21 C24 C26 163.2(13) . . . . ?
C22 C21 C24 C26 -22.8(19) . . . . ?
Os1 C21 C24 C26 76.0(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        67.48
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.700
_refine_diff_density_min         -2.486
_refine_diff_density_rms         0.175
_database_code_depnum_ccdc_archive 'CCDC 960089'