#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:41:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179759 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005563.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_7005563
loop_
_publ_author_name
'Cooke, Craig E.'
'Ramnial, Taramatee'
'Jennings, Michael C.'
'Pomeroy, Roland K.'
'Clyburne, Jason A. C.'
_publ_section_title
;
 Non-classical NHC transfers from the reaction of (IMes)AgCl with
 osmium carbonyl clusters.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1755
_journal_page_last               1758
_journal_paper_doi               10.1039/b703071c
_journal_year                    2007
_chemical_formula_moiety         'C31 H24 Ag Cl N2 O10 Os3'
_chemical_formula_sum            'C31 H24 Ag Cl N2 O10 Os3'
_chemical_formula_weight         1298.44
_chemical_name_systematic
;
?
;
_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                93.746(4)
_cell_angle_beta                 97.217(4)
_cell_angle_gamma                97.567(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1388(6)
_cell_length_b                   12.5307(9)
_cell_length_c                   18.0480(10)
_cell_measurement_reflns_used    4867
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.70
_cell_volume                     1803.9(2)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_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  0.095
_diffrn_reflns_av_sigmaI/netI    0.1405
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17458
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.195
_exptl_absorpt_correction_T_max  0.4873
_exptl_absorpt_correction_T_min  0.1488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.739
_refine_diff_density_min         -2.498
_refine_diff_density_rms         0.323
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6323
_refine_ls_number_restraints     163
_refine_ls_restrained_S_all      0.933
_refine_ls_R_factor_all          0.1152
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0468P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1181
_reflns_number_gt                3864
_reflns_number_total             6323
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b703071c.txt
_cod_data_source_block           04141
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7005563
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
Os1 Os 0.64298(7) 0.56500(5) 0.20364(3) 0.02382(18) Uani 1 1 d U . .
Os2 Os 0.57308(7) 0.67904(5) 0.33315(3) 0.02478(18) Uani 1 1 d U . .
Os3 Os 0.77412(8) 0.51047(5) 0.34761(3) 0.02870(19) Uani 1 1 d U . .
Ag Ag 0.71103(14) 0.79136(9) 0.22145(6) 0.0248(3) Uani 1 1 d U . .
Cl Cl 0.3699(4) 0.5475(3) 0.2502(2) 0.0313(9) Uani 1 1 d U . .
C1 C 0.8166(16) 0.9379(11) 0.1822(7) 0.019(3) Uani 1 1 d U . .
N2 N 0.8297(16) 1.0373(9) 0.2147(6) 0.034(3) Uani 1 1 d U . .
C3 C 0.906(2) 1.1155(12) 0.1716(8) 0.045(5) Uani 1 1 d U . .
H3A H 0.9286 1.1915 0.1834 0.054 Uiso 1 1 calc R . .
C4 C 0.939(2) 1.0579(12) 0.1094(8) 0.044(5) Uani 1 1 d U . .
H4A H 0.9933 1.0855 0.0696 0.053 Uiso 1 1 calc R . .
N5 N 0.8763(15) 0.9501(9) 0.1163(6) 0.030(3) Uani 1 1 d U . .
C41 C 0.7878(11) 1.0649(7) 0.2873(4) 0.021(3) Uani 1 1 d GU . .
C42 C 0.9052(8) 1.0673(8) 0.3505(5) 0.030(3) Uani 1 1 d GU . .
C43 C 0.8615(10) 1.0898(8) 0.4213(4) 0.034(4) Uani 1 1 d GU . .
H43A H 0.9418 1.0914 0.4646 0.041 Uiso 1 1 calc R . .
C44 C 0.7002(11) 1.1099(8) 0.4289(4) 0.029(3) Uani 1 1 d GU . .
C45 C 0.5827(9) 1.1075(8) 0.3656(5) 0.031(4) Uani 1 1 d GU . .
H45A H 0.4725 1.1213 0.3708 0.037 Uiso 1 1 calc R . .
C46 C 0.6265(9) 1.0850(8) 0.2948(4) 0.024(3) Uani 1 1 d GU . .
C47 C 0.499(2) 1.0842(14) 0.2253(8) 0.046(5) Uani 1 1 d U . .
H47A H 0.4814 1.0128 0.1976 0.069 Uiso 1 1 calc R . .
H47B H 0.5397 1.1390 0.1932 0.069 Uiso 1 1 calc R . .
H47C H 0.3923 1.1001 0.2404 0.069 Uiso 1 1 calc R . .
C48 C 0.653(2) 1.1296(14) 0.5063(8) 0.054(5) Uani 1 1 d U . .
H48A H 0.7070 1.2010 0.5284 0.081 Uiso 1 1 calc R . .
H48B H 0.6888 1.0740 0.5378 0.081 Uiso 1 1 calc R . .
H48C H 0.5309 1.1267 0.5028 0.081 Uiso 1 1 calc R . .
C49 C 1.081(2) 1.0463(15) 0.3432(9) 0.062(6) Uani 1 1 d U . .
H49A H 1.0770 0.9802 0.3104 0.092 Uiso 1 1 calc R . .
H49B H 1.1398 1.0376 0.3928 0.092 Uiso 1 1 calc R . .
H49C H 1.1405 1.1074 0.3216 0.092 Uiso 1 1 calc R . .
C51 C 0.8916(12) 0.8633(6) 0.0640(4) 0.024(3) Uani 1 1 d GU . .
C52 C 0.7571(9) 0.8259(7) 0.0091(5) 0.028(3) Uani 1 1 d GU . .
C53 C 0.7681(9) 0.7408(7) -0.0427(4) 0.030(3) Uani 1 1 d GU . .
H53A H 0.6762 0.7152 -0.0802 0.036 Uiso 1 1 calc R . .
C54 C 0.9135(11) 0.6933(6) -0.0395(4) 0.031(3) Uani 1 1 d GU . .
C55 C 1.0480(9) 0.7308(7) 0.0154(5) 0.032(3) Uani 1 1 d GU . .
H55A H 1.1473 0.6983 0.0176 0.038 Uiso 1 1 calc R . .
C56 C 1.0370(9) 0.8158(7) 0.0672(4) 0.026(3) Uani 1 1 d GU . .
C57 C 0.5992(19) 0.8783(14) 0.0038(8) 0.048(5) Uani 1 1 d U . .
H57A H 0.5600 0.8823 0.0529 0.072 Uiso 1 1 calc R . .
H57B H 0.5126 0.8353 -0.0328 0.072 Uiso 1 1 calc R . .
H57C H 0.6228 0.9514 -0.0122 0.072 Uiso 1 1 calc R . .
C58 C 0.923(2) 0.5982(12) -0.0937(9) 0.049(5) Uani 1 1 d U . .
H58A H 0.8571 0.5336 -0.0794 0.073 Uiso 1 1 calc R . .
H58B H 1.0403 0.5862 -0.0924 0.073 Uiso 1 1 calc R . .
H58C H 0.8793 0.6130 -0.1444 0.073 Uiso 1 1 calc R . .
C59 C 1.183(2) 0.8565(13) 0.1268(8) 0.045(4) Uani 1 1 d U . .
H59A H 1.2725 0.8125 0.1224 0.068 Uiso 1 1 calc R . .
H59B H 1.1464 0.8514 0.1764 0.068 Uiso 1 1 calc R . .
H59C H 1.2236 0.9320 0.1204 0.068 Uiso 1 1 calc R . .
O11 O 0.9956(13) 0.6251(8) 0.1709(6) 0.036(3) Uani 1 1 d U . .
C11 C 0.8626(18) 0.6050(11) 0.1849(8) 0.025(3) Uani 1 1 d U . .
O12 O 0.6487(14) 0.3301(9) 0.1531(6) 0.049(3) Uani 1 1 d U . .
C12 C 0.6501(18) 0.4218(13) 0.1744(8) 0.029(3) Uani 1 1 d U . .
O13 O 0.4737(14) 0.6296(9) 0.0574(5) 0.045(3) Uani 1 1 d U . .
C13 C 0.539(2) 0.6113(14) 0.1143(8) 0.045(4) Uani 1 1 d U . .
O21 O 0.8623(15) 0.8314(10) 0.4205(6) 0.051(3) Uani 1 1 d U . .
C21 C 0.753(2) 0.7758(13) 0.3861(8) 0.034(3) Uani 1 1 d U . .
O22 O 0.4607(16) 0.6207(9) 0.4817(6) 0.064(4) Uani 1 1 d U . .
C22 C 0.502(2) 0.6422(13) 0.4258(8) 0.044(4) Uani 1 1 d U . .
O23 O 0.3611(11) 0.8610(8) 0.3059(5) 0.028(2) Uani 1 1 d U . .
C23 C 0.4420(18) 0.7913(11) 0.3124(8) 0.029(3) Uani 1 1 d U . .
O31 O 1.0801(14) 0.6831(9) 0.3420(6) 0.052(3) Uani 1 1 d U . .
C31 C 0.963(2) 0.6192(14) 0.3412(8) 0.037(3) Uani 1 1 d U . .
O32 O 0.4498(15) 0.3456(9) 0.3409(7) 0.060(4) Uani 1 1 d U . .
C32 C 0.568(2) 0.4101(12) 0.3426(8) 0.033(3) Uani 1 1 d U . .
O33 O 0.8345(14) 0.5395(11) 0.5191(6) 0.069(4) Uani 1 1 d U . .
C33 C 0.812(2) 0.5238(14) 0.4549(9) 0.044(4) Uani 1 1 d U . .
O34 O 0.9784(15) 0.3307(9) 0.3095(6) 0.056(3) Uani 1 1 d U . .
C34 C 0.896(2) 0.3966(13) 0.3246(8) 0.040(4) Uani 1 1 d U . .
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'
O O 0.0106 0.0060 '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'
Ag Ag -0.8971 1.1015 '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
C12 Os1 C11 91.7(6) . . ?
C12 Os1 C13 100.8(7) . . ?
C11 Os1 C13 95.9(6) . . ?
C12 Os1 Cl 99.7(4) . . ?
C11 Os1 Cl 166.9(5) . . ?
C13 Os1 Cl 88.5(5) . . ?
C12 Os1 Ag 162.6(4) . . ?
C11 Os1 Ag 72.2(4) . . ?
C13 Os1 Ag 75.1(5) . . ?
Cl Os1 Ag 97.11(9) . . ?
C12 Os1 Os2 135.4(4) . . ?
C11 Os1 Os2 112.1(4) . . ?
C13 Os1 Os2 112.9(4) . . ?
Cl Os1 Os2 54.92(10) . . ?
Ag Os1 Os2 59.66(3) . . ?
C12 Os1 Os3 84.5(4) . . ?
C11 Os1 Os3 88.5(4) . . ?
C13 Os1 Os3 173.0(4) . . ?
Cl Os1 Os3 86.06(8) . . ?
Ag Os1 Os3 101.21(3) . . ?
Os2 Os1 Os3 60.28(2) . . ?
C21 Os2 C22 89.4(7) . . ?
C21 Os2 C23 92.8(6) . . ?
C22 Os2 C23 99.3(6) . . ?
C21 Os2 Cl 171.0(5) . . ?
C22 Os2 Cl 97.9(6) . . ?
C23 Os2 Cl 91.2(5) . . ?
C21 Os2 Ag 76.0(4) . . ?
C22 Os2 Ag 163.1(5) . . ?
C23 Os2 Ag 73.3(4) . . ?
Cl Os2 Ag 97.50(8) . . ?
C21 Os2 Os1 115.8(4) . . ?
C22 Os2 Os1 136.0(5) . . ?
C23 Os2 Os1 113.7(4) . . ?
Cl Os2 Os1 55.14(8) . . ?
Ag Os2 Os1 59.97(3) . . ?
C21 Os2 Os3 89.0(4) . . ?
C22 Os2 Os3 86.6(4) . . ?
C23 Os2 Os3 173.8(4) . . ?
Cl Os2 Os3 86.20(8) . . ?
Ag Os2 Os3 101.44(3) . . ?
Os1 Os2 Os3 60.304(19) . . ?
C34 Os3 C33 101.8(6) . . ?
C34 Os3 C31 92.1(7) . . ?
C33 Os3 C31 92.3(7) . . ?
C34 Os3 C32 91.6(7) . . ?
C33 Os3 C32 93.8(7) . . ?
C31 Os3 C32 172.1(6) . . ?
C34 Os3 Os2 162.3(4) . . ?
C33 Os3 Os2 95.9(4) . . ?
C31 Os3 Os2 86.6(4) . . ?
C32 Os3 Os2 87.7(4) . . ?
C34 Os3 Os1 102.9(4) . . ?
C33 Os3 Os1 155.3(4) . . ?
C31 Os3 Os1 86.2(4) . . ?
C32 Os3 Os1 86.2(4) . . ?
Os2 Os3 Os1 59.414(19) . . ?
C1 Ag Os2 150.4(4) . . ?
C1 Ag Os1 148.9(3) . . ?
Os2 Ag Os1 60.37(3) . . ?
Os2 Cl Os1 69.94(10) . . ?
N2 C1 N5 105.1(11) . . ?
N2 C1 Ag 127.8(9) . . ?
N5 C1 Ag 127.0(10) . . ?
C1 N2 C3 112.0(11) . . ?
C1 N2 C41 125.6(10) . . ?
C3 N2 C41 122.2(12) . . ?
C4 C3 N2 105.1(13) . . ?
C4 C3 H3A 127.4 . . ?
N2 C3 H3A 127.4 . . ?
C3 C4 N5 105.9(12) . . ?
C3 C4 H4A 127.0 . . ?
N5 C4 H4A 127.0 . . ?
C1 N5 C4 111.7(11) . . ?
C1 N5 C51 124.4(11) . . ?
C4 N5 C51 123.5(10) . . ?
C42 C41 C46 120.0 . . ?
C42 C41 N2 120.3(8) . . ?
C46 C41 N2 119.7(8) . . ?
C43 C42 C41 120.0 . . ?
C43 C42 C49 119.4(9) . . ?
C41 C42 C49 120.6(9) . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43A 120.0 . . ?
C44 C43 H43A 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 C48 120.6(9) . . ?
C43 C44 C48 119.4(9) . . ?
C44 C45 C46 120.0 . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C45 C46 C41 120.0 . . ?
C45 C46 C47 120.1(8) . . ?
C41 C46 C47 119.9(8) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C44 C48 H48A 109.5 . . ?
C44 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C44 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C42 C49 H49A 109.5 . . ?
C42 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C42 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C52 C51 C56 120.0 . . ?
C52 C51 N5 118.6(8) . . ?
C56 C51 N5 121.4(8) . . ?
C53 C52 C51 120.0 . . ?
C53 C52 C57 119.3(9) . . ?
C51 C52 C57 120.7(9) . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53A 120.0 . . ?
C54 C53 H53A 120.0 . . ?
C53 C54 C55 120.0 . . ?
C53 C54 C58 120.2(9) . . ?
C55 C54 C58 119.8(9) . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55A 120.0 . . ?
C54 C55 H55A 120.0 . . ?
C55 C56 C51 120.0 . . ?
C55 C56 C59 120.1(8) . . ?
C51 C56 C59 119.9(8) . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 H58A 109.5 . . ?
C54 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C54 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C56 C59 H59A 109.5 . . ?
C56 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C56 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O11 C11 Os1 176.6(13) . . ?
O12 C12 Os1 177.0(14) . . ?
O13 C13 Os1 173.7(15) . . ?
O21 C21 Os2 177.2(13) . . ?
O22 C22 Os2 179.4(18) . . ?
O23 C23 Os2 174.5(12) . . ?
O31 C31 Os3 175.6(14) . . ?
O32 C32 Os3 176.4(12) . . ?
O33 C33 Os3 175.2(16) . . ?
O34 C34 Os3 176.3(15) . . ?
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 C12 1.847(16) . ?
Os1 C11 1.871(14) . ?
Os1 C13 1.886(14) . ?
Os1 Cl 2.462(3) . ?
Os1 Ag 2.8068(13) . ?
Os1 Os2 2.8179(8) . ?
Os1 Os3 2.8435(8) . ?
Os2 C21 1.885(19) . ?
Os2 C22 1.902(14) . ?
Os2 C23 1.902(13) . ?
Os2 Cl 2.455(4) . ?
Os2 Ag 2.7980(11) . ?
Os2 Os3 2.8429(8) . ?
Os3 C34 1.898(15) . ?
Os3 C33 1.914(15) . ?
Os3 C31 1.935(18) . ?
Os3 C32 1.945(17) . ?
Ag C1 2.125(12) . ?
C1 N2 1.328(16) . ?
C1 N5 1.350(14) . ?
N2 C3 1.417(16) . ?
N2 C41 1.427(12) . ?
C3 C4 1.371(19) . ?
C3 H3A 0.9500 . ?
C4 N5 1.399(18) . ?
C4 H4A 0.9500 . ?
N5 C51 1.421(12) . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 C43 1.3900 . ?
C42 C49 1.509(15) . ?
C43 C44 1.3900 . ?
C43 H43A 0.9500 . ?
C44 C45 1.3900 . ?
C44 C48 1.510(14) . ?
C45 C46 1.3900 . ?
C45 H45A 0.9500 . ?
C46 C47 1.525(16) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C51 C52 1.3900 . ?
C51 C56 1.3900 . ?
C52 C53 1.3900 . ?
C52 C57 1.515(14) . ?
C53 C54 1.3900 . ?
C53 H53A 0.9500 . ?
C54 C55 1.3900 . ?
C54 C58 1.508(15) . ?
C55 C56 1.3900 . ?
C55 H55A 0.9500 . ?
C56 C59 1.507(17) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
O11 C11 1.142(15) . ?
O12 C12 1.186(16) . ?
O13 C13 1.148(15) . ?
O21 C21 1.142(18) . ?
O22 C22 1.141(14) . ?
O23 C23 1.164(14) . ?
O31 C31 1.160(18) . ?
O32 C32 1.171(18) . ?
O33 C33 1.151(16) . ?
O34 C34 1.167(15) . ?
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
C12 Os1 Os2 C21 115.1(8) . . . . ?
C11 Os1 Os2 C21 -2.1(6) . . . . ?
C13 Os1 Os2 C21 -109.0(8) . . . . ?
Cl Os1 Os2 C21 -179.7(5) . . . . ?
Ag Os1 Os2 C21 -53.8(5) . . . . ?
Os3 Os1 Os2 C21 72.6(5) . . . . ?
C12 Os1 Os2 C22 -3.9(10) . . . . ?
C11 Os1 Os2 C22 -121.1(9) . . . . ?
C13 Os1 Os2 C22 132.0(10) . . . . ?
Cl Os1 Os2 C22 61.3(8) . . . . ?
Ag Os1 Os2 C22 -172.8(8) . . . . ?
Os3 Os1 Os2 C22 -46.4(8) . . . . ?
C12 Os1 Os2 C23 -139.1(8) . . . . ?
C11 Os1 Os2 C23 103.7(6) . . . . ?
C13 Os1 Os2 C23 -3.2(8) . . . . ?
Cl Os1 Os2 C23 -73.9(5) . . . . ?
Ag Os1 Os2 C23 52.0(5) . . . . ?
Os3 Os1 Os2 C23 178.4(5) . . . . ?
C12 Os1 Os2 Cl -65.2(7) . . . . ?
C11 Os1 Os2 Cl 177.6(4) . . . . ?
C13 Os1 Os2 Cl 70.7(6) . . . . ?
Ag Os1 Os2 Cl 125.89(10) . . . . ?
Os3 Os1 Os2 Cl -107.71(9) . . . . ?
C12 Os1 Os2 Ag 168.9(7) . . . . ?
C11 Os1 Os2 Ag 51.7(4) . . . . ?
C13 Os1 Os2 Ag -55.2(6) . . . . ?
Cl Os1 Os2 Ag -125.89(10) . . . . ?
Os3 Os1 Os2 Ag 126.40(4) . . . . ?
C12 Os1 Os2 Os3 42.5(7) . . . . ?
C11 Os1 Os2 Os3 -74.7(4) . . . . ?
C13 Os1 Os2 Os3 178.4(6) . . . . ?
Cl Os1 Os2 Os3 107.71(9) . . . . ?
Ag Os1 Os2 Os3 -126.40(4) . . . . ?
C21 Os2 Os3 C34 -119.6(18) . . . . ?
C22 Os2 Os3 C34 150.9(18) . . . . ?
C23 Os2 Os3 C34 -13(5) . . . . ?
Cl Os2 Os3 C34 52.8(17) . . . . ?
Ag Os2 Os3 C34 -44.1(17) . . . . ?
Os1 Os2 Os3 C34 1.2(17) . . . . ?
C21 Os2 Os3 C33 58.8(7) . . . . ?
C22 Os2 Os3 C33 -30.7(8) . . . . ?
C23 Os2 Os3 C33 166(4) . . . . ?
Cl Os2 Os3 C33 -128.9(6) . . . . ?
Ag Os2 Os3 C33 134.2(5) . . . . ?
Os1 Os2 Os3 C33 179.6(5) . . . . ?
C21 Os2 Os3 C31 -33.2(6) . . . . ?
C22 Os2 Os3 C31 -122.7(7) . . . . ?
C23 Os2 Os3 C31 74(4) . . . . ?
Cl Os2 Os3 C31 139.1(5) . . . . ?
Ag Os2 Os3 C31 42.3(5) . . . . ?
Os1 Os2 Os3 C31 87.6(5) . . . . ?
C21 Os2 Os3 C32 152.3(6) . . . . ?
C22 Os2 Os3 C32 62.8(7) . . . . ?
C23 Os2 Os3 C32 -101(4) . . . . ?
Cl Os2 Os3 C32 -35.3(4) . . . . ?
Ag Os2 Os3 C32 -132.2(4) . . . . ?
Os1 Os2 Os3 C32 -86.9(4) . . . . ?
C21 Os2 Os3 Os1 -120.8(4) . . . . ?
C22 Os2 Os3 Os1 149.7(6) . . . . ?
C23 Os2 Os3 Os1 -14(4) . . . . ?
Cl Os2 Os3 Os1 51.58(8) . . . . ?
Ag Os2 Os3 Os1 -45.31(3) . . . . ?
C12 Os1 Os3 C34 28.8(7) . . . . ?
C11 Os1 Os3 C34 -63.0(7) . . . . ?
C13 Os1 Os3 C34 168(5) . . . . ?
Cl Os1 Os3 C34 129.0(5) . . . . ?
Ag Os1 Os3 C34 -134.5(5) . . . . ?
Os2 Os1 Os3 C34 -179.6(5) . . . . ?
C12 Os1 Os3 C33 -152.6(14) . . . . ?
C11 Os1 Os3 C33 115.6(14) . . . . ?
C13 Os1 Os3 C33 -13(5) . . . . ?
Cl Os1 Os3 C33 -52.4(13) . . . . ?
Ag Os1 Os3 C33 44.0(13) . . . . ?
Os2 Os1 Os3 C33 -1.0(13) . . . . ?
C12 Os1 Os3 C31 120.1(6) . . . . ?
C11 Os1 Os3 C31 28.3(6) . . . . ?
C13 Os1 Os3 C31 -100(5) . . . . ?
Cl Os1 Os3 C31 -139.7(5) . . . . ?
Ag Os1 Os3 C31 -43.2(5) . . . . ?
Os2 Os1 Os3 C31 -88.3(5) . . . . ?
C12 Os1 Os3 C32 -61.9(6) . . . . ?
C11 Os1 Os3 C32 -153.7(6) . . . . ?
C13 Os1 Os3 C32 77(5) . . . . ?
Cl Os1 Os3 C32 38.2(4) . . . . ?
Ag Os1 Os3 C32 134.7(4) . . . . ?
Os2 Os1 Os3 C32 89.6(4) . . . . ?
C12 Os1 Os3 Os2 -151.5(4) . . . . ?
C11 Os1 Os3 Os2 116.6(4) . . . . ?
C13 Os1 Os3 Os2 -12(5) . . . . ?
Cl Os1 Os3 Os2 -51.39(9) . . . . ?
Ag Os1 Os3 Os2 45.09(3) . . . . ?
C21 Os2 Ag C1 -41.5(8) . . . . ?
C22 Os2 Ag C1 -10.4(18) . . . . ?
C23 Os2 Ag C1 55.8(9) . . . . ?
Cl Os2 Ag C1 144.8(7) . . . . ?
Os1 Os2 Ag C1 -173.1(7) . . . . ?
Os3 Os2 Ag C1 -127.6(7) . . . . ?
C21 Os2 Ag Os1 131.5(5) . . . . ?
C22 Os2 Ag Os1 162.7(16) . . . . ?
C23 Os2 Ag Os1 -131.1(5) . . . . ?
Cl Os2 Ag Os1 -42.11(8) . . . . ?
Os3 Os2 Ag Os1 45.51(3) . . . . ?
C12 Os1 Ag C1 20.2(17) . . . . ?
C11 Os1 Ag C1 43.1(8) . . . . ?
C13 Os1 Ag C1 -58.2(8) . . . . ?
Cl Os1 Ag C1 -144.7(7) . . . . ?
Os2 Os1 Ag C1 173.4(7) . . . . ?
Os3 Os1 Ag C1 127.9(7) . . . . ?
C12 Os1 Ag Os2 -153.1(16) . . . . ?
C11 Os1 Ag Os2 -130.2(4) . . . . ?
C13 Os1 Ag Os2 128.5(5) . . . . ?
Cl Os1 Ag Os2 41.92(9) . . . . ?
Os3 Os1 Ag Os2 -45.45(3) . . . . ?
C21 Os2 Cl Os1 2(3) . . . . ?
C22 Os2 Cl Os1 -142.1(4) . . . . ?
C23 Os2 Cl Os1 118.3(4) . . . . ?
Ag Os2 Cl Os1 45.03(6) . . . . ?
Os3 Os2 Cl Os1 -56.03(5) . . . . ?
C12 Os1 Cl Os2 139.7(5) . . . . ?
C11 Os1 Cl Os2 -9.8(17) . . . . ?
C13 Os1 Cl Os2 -119.5(5) . . . . ?
Ag Os1 Cl Os2 -44.80(7) . . . . ?
Os3 Os1 Cl Os2 56.03(5) . . . . ?
Os2 Ag C1 N2 -6.9(17) . . . . ?
Os1 Ag C1 N2 -175.2(8) . . . . ?
Os2 Ag C1 N5 177.2(7) . . . . ?
Os1 Ag C1 N5 8.9(16) . . . . ?
N5 C1 N2 C3 -2.7(17) . . . . ?
Ag C1 N2 C3 -179.3(11) . . . . ?
N5 C1 N2 C41 -177.4(12) . . . . ?
Ag C1 N2 C41 6(2) . . . . ?
C1 N2 C3 C4 0.2(19) . . . . ?
C41 N2 C3 C4 175.1(13) . . . . ?
N2 C3 C4 N5 2.3(19) . . . . ?
N2 C1 N5 C4 4.2(17) . . . . ?
Ag C1 N5 C4 -179.1(11) . . . . ?
N2 C1 N5 C51 177.6(11) . . . . ?
Ag C1 N5 C51 -5.8(19) . . . . ?
C3 C4 N5 C1 -4.2(19) . . . . ?
C3 C4 N5 C51 -177.6(12) . . . . ?
C1 N2 C41 C42 87.0(15) . . . . ?
C3 N2 C41 C42 -87.3(14) . . . . ?
C1 N2 C41 C46 -90.3(14) . . . . ?
C3 N2 C41 C46 95.4(14) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
N2 C41 C42 C43 -177.3(9) . . . . ?
C46 C41 C42 C49 -179.7(11) . . . . ?
N2 C41 C42 C49 3.1(12) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C49 C42 C43 C44 179.7(11) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C42 C43 C44 C48 177.5(11) . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C48 C44 C45 C46 -177.5(11) . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C44 C45 C46 C47 -179.0(11) . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
N2 C41 C46 C45 177.3(9) . . . . ?
C42 C41 C46 C47 179.0(11) . . . . ?
N2 C41 C46 C47 -3.7(12) . . . . ?
C1 N5 C51 C52 89.5(13) . . . . ?
C4 N5 C51 C52 -97.9(14) . . . . ?
C1 N5 C51 C56 -90.2(13) . . . . ?
C4 N5 C51 C56 82.3(14) . . . . ?
C56 C51 C52 C53 0.0 . . . . ?
N5 C51 C52 C53 -179.7(8) . . . . ?
C56 C51 C52 C57 -178.6(10) . . . . ?
N5 C51 C52 C57 1.6(11) . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C57 C52 C53 C54 178.7(10) . . . . ?
C52 C53 C54 C55 0.0 . . . . ?
C52 C53 C54 C58 177.6(10) . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C58 C54 C55 C56 -177.6(10) . . . . ?
C54 C55 C56 C51 0.0 . . . . ?
C54 C55 C56 C59 180.0(10) . . . . ?
C52 C51 C56 C55 0.0 . . . . ?
N5 C51 C56 C55 179.7(9) . . . . ?
C52 C51 C56 C59 -180.0(10) . . . . ?
N5 C51 C56 C59 -0.2(11) . . . . ?
C12 Os1 C11 O11 25(21) . . . . ?
C13 Os1 C11 O11 -76(21) . . . . ?
Cl Os1 C11 O11 175(19) . . . . ?
Ag Os1 C11 O11 -148(21) . . . . ?
Os2 Os1 C11 O11 167(21) . . . . ?
Os3 Os1 C11 O11 110(21) . . . . ?
C11 Os1 C12 O12 -119(24) . . . . ?
C13 Os1 C12 O12 -22(24) . . . . ?
Cl Os1 C12 O12 68(24) . . . . ?
Ag Os1 C12 O12 -97(24) . . . . ?
Os2 Os1 C12 O12 117(24) . . . . ?
Os3 Os1 C12 O12 153(24) . . . . ?
C12 Os1 C13 O13 9(13) . . . . ?
C11 Os1 C13 O13 101(13) . . . . ?
Cl Os1 C13 O13 -91(13) . . . . ?
Ag Os1 C13 O13 171(13) . . . . ?
Os2 Os1 C13 O13 -142(12) . . . . ?
Os3 Os1 C13 O13 -130(10) . . . . ?
C22 Os2 C21 O21 36(30) . . . . ?
C23 Os2 C21 O21 135(30) . . . . ?
Cl Os2 C21 O21 -108(29) . . . . ?
Ag Os2 C21 O21 -153(30) . . . . ?
Os1 Os2 C21 O21 -107(30) . . . . ?
Os3 Os2 C21 O21 -51(30) . . . . ?
C21 Os2 C22 O22 8(100) . . . . ?
C23 Os2 C22 O22 -85(100) . . . . ?
Cl Os2 C22 O22 -177(100) . . . . ?
Ag Os2 C22 O22 -22(100) . . . . ?
Os1 Os2 C22 O22 136(100) . . . . ?
Os3 Os2 C22 O22 97(100) . . . . ?
C21 Os2 C23 O23 -67(14) . . . . ?
C22 Os2 C23 O23 23(14) . . . . ?
Cl Os2 C23 O23 121(14) . . . . ?
Ag Os2 C23 O23 -142(14) . . . . ?
Os1 Os2 C23 O23 173(14) . . . . ?
Os3 Os2 C23 O23 -174(10) . . . . ?
C34 Os3 C31 O31 -81(19) . . . . ?
C33 Os3 C31 O31 21(19) . . . . ?
C32 Os3 C31 O31 162(16) . . . . ?
Os2 Os3 C31 O31 117(19) . . . . ?
Os1 Os3 C31 O31 177(19) . . . . ?
C34 Os3 C32 O32 32(23) . . . . ?
C33 Os3 C32 O32 -70(23) . . . . ?
C31 Os3 C32 O32 150(21) . . . . ?
Os2 Os3 C32 O32 -166(23) . . . . ?
Os1 Os3 C32 O32 135(23) . . . . ?
C34 Os3 C33 O33 146(17) . . . . ?
C31 Os3 C33 O33 54(17) . . . . ?
C32 Os3 C33 O33 -121(17) . . . . ?
Os2 Os3 C33 O33 -33(17) . . . . ?
Os1 Os3 C33 O33 -32(18) . . . . ?
C33 Os3 C34 O34 -104(22) . . . . ?
C31 Os3 C34 O34 -11(22) . . . . ?
C32 Os3 C34 O34 162(22) . . . . ?
Os2 Os3 C34 O34 74(23) . . . . ?
Os1 Os3 C34 O34 75(22) . . . . ?
