# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_osmium8
_database_code_depnum_ccdc_archive 'CCDC 1522395'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C100 H150 O16 Os8 S16'
_chemical_formula_weight         3642.76

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.4686(19)
_cell_length_b                   17.485(2)
_cell_length_c                   19.258(2)
_cell_angle_alpha                72.157(4)
_cell_angle_beta                 88.111(5)
_cell_angle_gamma                73.892(5)
_cell_volume                     4755.9(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3484
_exptl_absorpt_coefficient_mu    23.443
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35248
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         66.13
_reflns_number_total             14963
_reflns_number_gt                13292
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0823P)²+39.8816P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14963
_refine_ls_number_parameters     545
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0483
_refine_ls_wR_factor_ref         0.1397
_refine_ls_wR_factor_gt          0.1318
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.048
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os -0.53919(2) 0.818443(18) 0.768378(15) 0.02260(10) Uani 1 1 d . . .
Os2 Os -0.47166(2) 0.708238(18) 0.653284(15) 0.02164(10) Uani 1 1 d . . .
Os3 Os -0.30293(2) 0.777163(18) 0.476310(16) 0.02359(10) Uani 1 1 d . . .
Os4 Os -0.30194(2) 0.931154(18) 0.322883(16) 0.02499(10) Uani 1 1 d . . .
S1 S -0.40635(11) 0.80192(10) 0.69264(9) 0.0234(4) Uani 1 1 d . . .
S3 S -0.52461(12) 0.67482(10) 0.77577(9) 0.0246(4) Uani 1 1 d . . .
S4 S -0.55264(12) 0.96626(10) 0.71657(9) 0.0246(4) Uani 1 1 d . . .
S2 S -0.60222(11) 0.83278(10) 0.64754(9) 0.0224(3) Uani 1 1 d . . .
S5 S -0.44834(11) 0.78259(10) 0.52851(9) 0.0228(4) Uani 1 1 d . . .
S6 S -0.34877(12) 0.93271(10) 0.44745(9) 0.0241(4) Uani 1 1 d . . .
S7 S -0.18461(13) 0.81879(11) 0.40216(11) 0.0343(4) Uani 1 1 d . . .
S8 S -0.38948(12) 0.82924(10) 0.35838(9) 0.0266(4) Uani 1 1 d . . .
O1O O -0.7054(4) 0.8577(4) 0.8514(3) 0.0413(14) Uiso 1 1 d . . .
O2O O -0.4292(4) 0.7840(4) 0.9078(4) 0.0440(15) Uiso 1 1 d . . .
O3O O -0.3028(4) 0.5705(4) 0.6564(3) 0.0414(14) Uiso 1 1 d . . .
O4O O -0.5854(4) 0.6072(4) 0.6181(3) 0.0440(14) Uiso 1 1 d . . .
O5O O -0.2011(4) 0.7457(3) 0.6187(3) 0.0336(12) Uiso 1 1 d . . .
O6O O -0.2373(4) 0.5913(4) 0.4944(3) 0.0395(13) Uiso 1 1 d . . .
O7O O -0.1885(4) 1.0519(4) 0.2933(3) 0.0379(13) Uiso 1 1 d . . .
O8O O -0.2625(5) 0.9127(4) 0.1721(4) 0.0519(16) Uiso 1 1 d . . .
C1O C -0.6441(5) 0.8389(5) 0.8198(4) 0.0275(16) Uiso 1 1 d . . .
C2O C -0.4693(5) 0.7978(5) 0.8546(4) 0.0310(17) Uiso 1 1 d . . .
C3O C -0.3671(5) 0.6225(4) 0.6574(4) 0.0243(15) Uiso 1 1 d . . .
C4O C -0.5418(5) 0.6462(5) 0.6279(4) 0.0250(15) Uiso 1 1 d . . .
C5O C -0.2397(5) 0.7575(5) 0.5664(4) 0.0286(16) Uiso 1 1 d . . .
C6O C -0.2645(5) 0.6625(5) 0.4867(4) 0.0278(16) Uiso 1 1 d . . .
C7O C -0.2331(5) 1.0077(5) 0.3057(4) 0.0245(15) Uiso 1 1 d . . .
C8O C -0.2775(5) 0.9197(5) 0.2301(4) 0.0318(17) Uiso 1 1 d . . .
C1 C -0.3122(5) 0.7551(5) 0.7583(4) 0.0291(16) Uiso 1 1 d . . .
C2 C -0.2787(6) 0.8118(6) 0.7795(5) 0.0381(19) Uiso 1 1 d . . .
C3 C -0.2099(6) 0.7831(6) 0.8322(5) 0.042(2) Uiso 1 1 d . . .
C4 C -0.1719(6) 0.6970(6) 0.8677(5) 0.041(2) Uiso 1 1 d . . .
C5 C -0.2054(6) 0.6425(5) 0.8436(4) 0.0339(18) Uiso 1 1 d . . .
C6 C -0.2727(5) 0.6702(5) 0.7907(4) 0.0322(17) Uiso 1 1 d . . .
C7 C -0.0963(7) 0.6652(6) 0.9274(5) 0.047(2) Uiso 1 1 d . . .
C8 C -0.1008(10) 0.7273(10) 0.9694(8) 0.081(4) Uiso 1 1 d . . .
C9 C -0.1098(10) 0.5847(10) 0.9880(9) 0.082(4) Uiso 1 1 d . . .
C10 C -0.0081(10) 0.6448(9) 0.8934(8) 0.079(4) Uiso 1 1 d . . .
C11 C -0.7009(5) 0.7970(5) 0.6482(4) 0.0264(15) Uiso 1 1 d . . .
C12 C -0.7368(6) 0.8089(5) 0.5790(4) 0.0335(17) Uiso 1 1 d . . .
C13 C -0.8063(6) 0.7767(5) 0.5732(5) 0.0360(18) Uiso 1 1 d . . .
C14 C -0.8428(6) 0.7324(5) 0.6351(5) 0.0343(18) Uiso 1 1 d . . .
C15 C -0.8073(6) 0.7236(5) 0.7038(5) 0.0371(19) Uiso 1 1 d . . .
C16 C -0.7365(5) 0.7557(5) 0.7102(4) 0.0307(17) Uiso 1 1 d . . .
C17 C -0.9146(6) 0.6886(6) 0.6273(5) 0.040(2) Uiso 1 1 d . . .
C18 C -0.9673(7) 0.6722(7) 0.6961(6) 0.051(2) Uiso 1 1 d . . .
C19 C -0.8642(8) 0.6058(8) 0.6130(7) 0.063(3) Uiso 1 1 d . . .
C20 C -0.9825(8) 0.7435(7) 0.5627(6) 0.056(3) Uiso 1 1 d . . .
C21 C -0.4471(5) 0.5898(5) 0.8416(4) 0.0248(15) Uiso 1 1 d . . .
C22 C -0.4384(5) 0.5876(5) 0.9134(4) 0.0310(17) Uiso 1 1 d . . .
C23 C -0.3853(6) 0.5146(5) 0.9635(5) 0.0340(18) Uiso 1 1 d . . .
C24 C -0.3390(5) 0.4448(5) 0.9433(4) 0.0284(16) Uiso 1 1 d . . .
C25 C -0.3505(5) 0.4490(5) 0.8708(4) 0.0294(16) Uiso 1 1 d . . .
C26 C -0.4029(5) 0.5195(5) 0.8203(4) 0.0293(16) Uiso 1 1 d . . .
C27 C -0.2776(5) 0.3656(5) 0.9961(4) 0.0307(17) Uiso 1 1 d . . .
C28 C -0.2818(7) 0.3653(6) 1.0759(6) 0.048(2) Uiso 1 1 d . . .
C29 C -0.3062(7) 0.2881(7) 0.9923(6) 0.051(2) Uiso 1 1 d . . .
C30 C -0.1810(8) 0.3550(7) 0.9731(6) 0.059(3) Uiso 1 1 d . . .
C31 C -0.4949(5) 0.9961(5) 0.7774(4) 0.0301(16) Uiso 1 1 d . . .
C32 C -0.4255(5) 1.0319(5) 0.7502(4) 0.0281(16) Uiso 1 1 d . . .
C33 C -0.3748(6) 1.0523(6) 0.7955(5) 0.0389(19) Uiso 1 1 d . . .
C34 C -0.3884(6) 1.0375(5) 0.8700(5) 0.0375(19) Uiso 1 1 d . . .
C35 C -0.4588(7) 1.0034(7) 0.8963(6) 0.050(2) Uiso 1 1 d . . .
C36 C -0.5113(6) 0.9841(6) 0.8511(5) 0.044(2) Uiso 1 1 d . . .
C37 C -0.3293(7) 1.0544(7) 0.9224(6) 0.053(2) Uiso 1 1 d . . .
C38 C -0.3891(12) 1.1113(11) 0.9634(10) 0.095(5) Uiso 1 1 d . . .
C39 C -0.2668(11) 1.1080(11) 0.8826(9) 0.092(4) Uiso 1 1 d . . .
C40 C -0.2876(14) 0.9728(14) 0.9810(12) 0.119(6) Uiso 1 1 d . . .
C41 C -0.5092(5) 0.7457(5) 0.4750(4) 0.0266(15) Uiso 1 1 d . . .
C42 C -0.5875(5) 0.8010(5) 0.4374(4) 0.0291(16) Uiso 1 1 d . . .
C43 C -0.6417(5) 0.7744(5) 0.3997(4) 0.0311(17) Uiso 1 1 d . . .
C44 C -0.6187(5) 0.6918(5) 0.3970(4) 0.0322(17) Uiso 1 1 d . . .
C45 C -0.5384(6) 0.6380(5) 0.4328(5) 0.0368(18) Uiso 1 1 d . . .
C46 C -0.4838(5) 0.6630(5) 0.4712(4) 0.0294(16) Uiso 1 1 d . . .
C47 C -0.6797(6) 0.6599(6) 0.3574(5) 0.0393(19) Uiso 1 1 d . . .
C48 C -0.7655(8) 0.7277(8) 0.3220(7) 0.064(3) Uiso 1 1 d . . .
C49 C -0.7084(8) 0.5892(8) 0.4177(7) 0.062(3) Uiso 1 1 d . . .
C50 C -0.6282(8) 0.6239(7) 0.3018(6) 0.059(3) Uiso 1 1 d . . .
C51 C -0.2732(5) 0.9569(5) 0.5015(4) 0.0258(15) Uiso 1 1 d . . .
C52 C -0.1880(5) 0.9636(5) 0.4820(4) 0.0320(17) Uiso 1 1 d . . .
C53 C -0.1344(6) 0.9797(5) 0.5290(5) 0.0356(18) Uiso 1 1 d . . .
C54 C -0.1622(5) 0.9879(5) 0.5965(4) 0.0290(16) Uiso 1 1 d . . .
C55 C -0.2496(5) 0.9840(5) 0.6139(4) 0.0316(17) Uiso 1 1 d . . .
C56 C -0.3041(5) 0.9686(5) 0.5678(4) 0.0330(17) Uiso 1 1 d . . .
C57 C -0.0969(6) 0.9985(5) 0.6494(5) 0.0362(18) Uiso 1 1 d . . .
C58 C -0.0172(7) 0.9196(7) 0.6713(6) 0.055(3) Uiso 1 1 d . . .
C59 C -0.0644(7) 1.0765(7) 0.6120(6) 0.051(2) Uiso 1 1 d . . .
C60 C -0.1411(6) 1.0102(6) 0.7189(5) 0.0400(19) Uiso 1 1 d . . .
C61 C -0.1183(6) 0.7422(6) 0.3640(5) 0.045(2) Uiso 1 1 d . . .
C62 C -0.0857(11) 0.7669(10) 0.3002(9) 0.033(3) Uiso 0.50 1 d P . .
C62' C -0.1586(12) 0.7280(11) 0.2923(10) 0.040(4) Uiso 0.50 1 d P . .
C63' C -0.1062(11) 0.6646(10) 0.2667(9) 0.034(4) Uiso 0.50 1 d P . .
C63 C -0.0305(11) 0.7060(10) 0.2716(9) 0.032(3) Uiso 0.50 1 d P . .
C64 C -0.0045(7) 0.6220(7) 0.3065(6) 0.053(2) Uiso 1 1 d . . .
C65 C -0.0159(10) 0.6025(9) 0.3870(8) 0.079(4) Uiso 1 1 d . . .
C65' C 0.0152(13) 0.6410(12) 0.3528(11) 0.045(4) Uiso 0.50 1 d P . .
C66 C -0.0724(9) 0.6625(9) 0.4154(8) 0.023(3) Uiso 0.50 1 d P . .
C66' C -0.0416(13) 0.6974(12) 0.3862(10) 0.042(4) Uiso 0.50 1 d P . .
C67 C 0.0527(7) 0.5560(7) 0.2732(6) 0.049(2) Uiso 1 1 d . . .
C68 C -0.0025(9) 0.5419(8) 0.2172(7) 0.071(3) Uiso 1 1 d . . .
C69 C 0.1329(7) 0.5851(6) 0.2368(6) 0.049(2) Uiso 1 1 d . . .
C70 C 0.0915(7) 0.4723(6) 0.3341(6) 0.049(2) Uiso 1 1 d . . .
C71 C -0.3726(5) 0.7601(5) 0.3033(4) 0.0327(17) Uiso 1 1 d . . .
C72 C -0.3604(10) 0.6747(9) 0.3290(8) 0.026(3) Uiso 0.50 1 d P . .
C72' C -0.2850(11) 0.6968(10) 0.3090(9) 0.032(3) Uiso 0.50 1 d P . .
C73 C -0.3575(12) 0.6270(11) 0.2834(10) 0.038(4) Uiso 0.50 1 d P . .
C73' C -0.2757(12) 0.6459(11) 0.2655(9) 0.037(4) Uiso 0.50 1 d P . .
C74 C -0.3635(7) 0.6569(7) 0.2131(6) 0.055(3) Uiso 1 1 d . . .
C75 C -0.3979(11) 0.7465(10) 0.1800(9) 0.031(3) Uiso 0.50 1 d P . .
C75' C -0.4265(14) 0.7166(13) 0.2188(12) 0.049(5) Uiso 0.50 1 d P . .
C76 C -0.4036(10) 0.7983(9) 0.2247(8) 0.028(3) Uiso 0.50 1 d P . .
C76' C -0.4358(14) 0.7662(13) 0.2637(11) 0.050(5) Uiso 0.50 1 d P . .
C77 C -0.3580(9) 0.6043(9) 0.1617(8) 0.074(3) Uiso 1 1 d . . .
C78 C -0.353(2) 0.655(2) 0.0886(19) 0.184(12) Uiso 1 1 d . . .
C79 C -0.3821(12) 0.5251(11) 0.1998(10) 0.100(5) Uiso 1 1 d . . .
C80 C -0.2455(15) 0.5520(14) 0.1615(12) 0.119(6) Uiso 1 1 d . . .
C100 C 0.0680(11) 0.8904(10) 0.8775(9) 0.087(4) Uiso 1 1 d . . .
C200 C 0.0828(17) 0.9690(16) 0.8717(14) 0.137(8) Uiso 1 1 d . . .
C300 C 0.0157(13) 1.0308(12) 0.8904(10) 0.103(5) Uiso 1 1 d . . .
C400 C 0.034(2) 1.1170(19) 0.8842(17) 0.161(10) Uiso 1 1 d . . .
C500 C -0.0359(19) 1.1747(18) 0.9089(16) 0.157(9) 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 C1O 1.879(7) . ?
Os1 C2O 1.895(8) . ?
Os1 S3 2.4180(18) . ?
Os1 S4 2.4195(17) . ?
Os1 S2 2.4667(17) . ?
Os1 S1 2.4829(17) . ?
Os2 C3O 1.860(7) . ?
Os2 C4O 1.898(8) . ?
Os2 S3 2.4229(17) . ?
Os2 S5 2.4256(16) . ?
Os2 S1 2.4512(19) . ?
Os2 S2 2.5019(17) . ?
Os3 C6O 1.874(8) . ?
Os3 C5O 1.910(8) . ?
Os3 S7 2.4183(19) . ?
Os3 S5 2.4229(17) . ?
Os3 S8 2.4568(19) . ?
Os3 S6 2.4977(17) . ?
Os4 C8O 1.873(8) . ?
Os4 C7O 1.880(8) . ?
Os4 S7 2.4188(19) . ?
Os4 S4 2.4276(18) 2_476 ?
Os4 S8 2.4512(19) . ?
Os4 S6 2.4889(17) . ?
S1 C1 1.794(8) . ?
S3 C21 1.792(7) . ?
S4 C31 1.774(8) . ?
S4 Os4 2.4276(18) 2_476 ?
S2 C11 1.802(8) . ?
S5 C41 1.781(8) . ?
S6 C51 1.805(8) . ?
S7 C61 1.783(10) . ?
S8 C71 1.802(9) . ?
O1O C1O 1.135(10) . ?
O2O C2O 1.139(10) . ?
O3O C3O 1.150(9) . ?
O4O C4O 1.140(10) . ?
O5O C5O 1.120(10) . ?
O6O C6O 1.161(10) . ?
O7O C7O 1.141(9) . ?
O8O C8O 1.169(11) . ?
C1 C6 1.387(11) . ?
C1 C2 1.399(13) . ?
C2 C3 1.372(13) . ?
C3 C4 1.408(13) . ?
C4 C5 1.398(13) . ?
C4 C7 1.528(14) . ?
C5 C6 1.358(12) . ?
C7 C10 1.493(18) . ?
C7 C8 1.526(19) . ?
C7 C9 1.590(18) . ?
C11 C16 1.378(11) . ?
C11 C12 1.395(12) . ?
C12 C13 1.367(13) . ?
C13 C14 1.404(12) . ?
C14 C15 1.398(13) . ?
C14 C17 1.548(13) . ?
C15 C16 1.387(13) . ?
C17 C18 1.526(14) . ?
C17 C20 1.539(14) . ?
C17 C19 1.543(15) . ?
C21 C22 1.382(11) . ?
C21 C26 1.403(11) . ?
C22 C23 1.396(11) . ?
C23 C24 1.393(12) . ?
C24 C25 1.389(11) . ?
C24 C27 1.525(11) . ?
C25 C26 1.373(11) . ?
C27 C30 1.522(14) . ?
C27 C28 1.533(13) . ?
C27 C29 1.560(14) . ?
C31 C36 1.396(13) . ?
C31 C32 1.397(11) . ?
C32 C33 1.377(13) . ?
C33 C34 1.397(13) . ?
C34 C35 1.392(14) . ?
C34 C37 1.528(15) . ?
C35 C36 1.381(15) . ?
C37 C40 1.51(2) . ?
C37 C38 1.55(2) . ?
C37 C39 1.55(2) . ?
C41 C42 1.380(11) . ?
C41 C46 1.413(11) . ?
C42 C43 1.382(12) . ?
C43 C44 1.405(12) . ?
C44 C45 1.384(12) . ?
C44 C47 1.543(13) . ?
C45 C46 1.377(13) . ?
C47 C50 1.504(15) . ?
C47 C48 1.524(15) . ?
C47 C49 1.570(15) . ?
C51 C52 1.384(11) . ?
C51 C56 1.402(11) . ?
C52 C53 1.386(13) . ?
C53 C54 1.391(12) . ?
C54 C55 1.398(11) . ?
C54 C57 1.543(12) . ?
C55 C56 1.376(12) . ?
C57 C58 1.527(14) . ?
C57 C60 1.527(12) . ?
C57 C59 1.544(14) . ?
C61 C66' 1.23(2) . ?
C61 C62 1.306(19) . ?
C61 C66 1.441(17) . ?
C61 C62' 1.65(2) . ?
C62 C63 1.41(2) . ?
C62 C62' 1.50(3) . ?
C62 C66' 1.75(2) . ?
C62' C63' 1.39(3) . ?
C62' C63 1.96(2) . ?
C63' C63 1.56(2) . ?
C63' C64 1.642(19) . ?
C63 C64 1.36(2) . ?
C63 C65' 1.67(2) . ?
C64 C65' 1.12(2) . ?
C64 C65 1.498(19) . ?
C64 C67 1.542(15) . ?
C65 C65' 1.00(2) . ?
C65 C66 1.41(2) . ?
C65 C66' 1.59(2) . ?
C65' C66' 1.42(3) . ?
C65' C66 1.82(2) . ?
C66 C66' 0.92(2) . ?
C67 C68 1.514(18) . ?
C67 C69 1.536(14) . ?
C67 C70 1.546(14) . ?
C71 C76' 1.22(2) . ?
C71 C72 1.381(17) . ?
C71 C72' 1.475(18) . ?
C71 C76 1.490(17) . ?
C72 C72' 1.34(2) . ?
C72 C73 1.38(2) . ?
C72 C76' 1.82(2) . ?
C72 C73' 1.84(2) . ?
C72' C73' 1.38(3) . ?
C72' C73 2.04(2) . ?
C73 C74 1.29(2) . ?
C73 C73' 1.40(3) . ?
C73 C75' 1.76(3) . ?
C73' C74 1.65(2) . ?
C74 C75' 1.25(2) . ?
C74 C75 1.446(19) . ?
C74 C77 1.530(18) . ?
C75 C75' 0.95(2) . ?
C75 C76 1.41(2) . ?
C75 C76' 1.80(3) . ?
C75' C76' 1.38(3) . ?
C75' C76 1.60(3) . ?
C76 C76' 1.00(2) . ?
C77 C78 1.42(3) . ?
C77 C79 1.50(2) . ?
C77 C80 1.73(2) . ?
C100 C200 1.42(3) . ?
C200 C300 1.40(3) . ?
C300 C400 1.58(3) . ?
C400 C500 1.44(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
C1O Os1 C2O 89.2(3) . . ?
C1O Os1 S3 99.1(2) . . ?
C2O Os1 S3 98.3(2) . . ?
C1O Os1 S4 92.4(2) . . ?
C2O Os1 S4 98.0(2) . . ?
S3 Os1 S4 160.10(6) . . ?
C1O Os1 S2 101.5(2) . . ?
C2O Os1 S2 168.9(2) . . ?
S3 Os1 S2 77.47(6) . . ?
S4 Os1 S2 84.35(6) . . ?
C1O Os1 S1 175.4(2) . . ?
C2O Os1 S1 93.8(2) . . ?
S3 Os1 S1 83.88(6) . . ?
S4 Os1 S1 83.82(6) . . ?
S2 Os1 S1 75.60(6) . . ?
C3O Os2 C4O 90.6(3) . . ?
C3O Os2 S3 104.9(2) . . ?
C4O Os2 S3 89.7(2) . . ?
C3O Os2 S5 91.4(2) . . ?
C4O Os2 S5 95.5(2) . . ?
S3 Os2 S5 162.82(6) . . ?
C3O Os2 S1 99.0(2) . . ?
C4O Os2 S1 169.8(2) . . ?
S3 Os2 S1 84.46(6) . . ?
S5 Os2 S1 87.82(6) . . ?
C3O Os2 S2 174.2(2) . . ?
C4O Os2 S2 95.0(2) . . ?
S3 Os2 S2 76.72(5) . . ?
S5 Os2 S2 86.51(5) . . ?
S1 Os2 S2 75.53(6) . . ?
C6O Os3 C5O 90.5(3) . . ?
C6O Os3 S7 98.2(2) . . ?
C5O Os3 S7 93.9(2) . . ?
C6O Os3 S5 98.4(2) . . ?
C5O Os3 S5 95.0(2) . . ?
S7 Os3 S5 161.00(6) . . ?
C6O Os3 S8 99.8(2) . . ?
C5O Os3 S8 169.7(2) . . ?
S7 Os3 S8 83.54(7) . . ?
S5 Os3 S8 84.69(6) . . ?
C6O Os3 S6 173.3(2) . . ?
C5O Os3 S6 94.1(2) . . ?
S7 Os3 S6 76.61(6) . . ?
S5 Os3 S6 86.04(6) . . ?
S8 Os3 S6 75.57(6) . . ?
C8O Os4 C7O 89.6(3) . . ?
C8O Os4 S7 103.6(2) . . ?
C7O Os4 S7 93.1(2) . . ?
C8O Os4 S4 94.4(2) . 2_476 ?
C7O Os4 S4 96.8(2) . 2_476 ?
S7 Os4 S4 159.48(6) . 2_476 ?
C8O Os4 S8 95.8(3) . . ?
C7O Os4 S8 174.2(2) . . ?
S7 Os4 S8 83.65(7) . . ?
S4 Os4 S8 84.77(6) 2_476 . ?
C8O Os4 S6 171.6(3) . . ?
C7O Os4 S6 98.8(2) . . ?
S7 Os4 S6 76.76(6) . . ?
S4 Os4 S6 84.01(6) 2_476 . ?
S8 Os4 S6 75.83(6) . . ?
C1 S1 Os2 117.7(3) . . ?
C1 S1 Os1 103.9(3) . . ?
Os2 S1 Os1 84.78(6) . . ?
C21 S3 Os1 121.0(3) . . ?
C21 S3 Os2 114.2(2) . . ?
Os1 S3 Os2 86.81(6) . . ?
C31 S4 Os1 108.2(3) . . ?
C31 S4 Os4 109.4(3) . 2_476 ?
Os1 S4 Os4 121.57(8) . 2_476 ?
C11 S2 Os1 115.7(2) . . ?
C11 S2 Os2 105.2(2) . . ?
Os1 S2 Os2 84.05(5) . . ?
C41 S5 Os3 106.3(2) . . ?
C41 S5 Os2 103.7(2) . . ?
Os3 S5 Os2 125.17(7) . . ?
C51 S6 Os4 116.1(2) . . ?
C51 S6 Os3 106.6(2) . . ?
Os4 S6 Os3 83.96(5) . . ?
C61 S7 Os3 114.8(3) . . ?
C61 S7 Os4 117.0(3) . . ?
Os3 S7 Os4 87.19(6) . . ?
C71 S8 Os4 113.8(3) . . ?
C71 S8 Os3 117.5(3) . . ?
Os4 S8 Os3 85.62(6) . . ?
O1O C1O Os1 173.5(7) . . ?
O2O C2O Os1 177.6(7) . . ?
O3O C3O Os2 176.8(7) . . ?
O4O C4O Os2 174.9(7) . . ?
O5O C5O Os3 178.7(7) . . ?
O6O C6O Os3 177.1(7) . . ?
O7O C7O Os4 176.4(7) . . ?
O8O C8O Os4 179.8(10) . . ?
C6 C1 C2 118.5(8) . . ?
C6 C1 S1 126.4(6) . . ?
C2 C1 S1 115.1(6) . . ?
C3 C2 C1 120.2(8) . . ?
C2 C3 C4 121.8(9) . . ?
C5 C4 C3 116.1(8) . . ?
C5 C4 C7 122.1(8) . . ?
C3 C4 C7 121.7(9) . . ?
C6 C5 C4 122.5(8) . . ?
C5 C6 C1 120.8(8) . . ?
C10 C7 C8 112.3(10) . . ?
C10 C7 C4 108.6(9) . . ?
C8 C7 C4 112.2(9) . . ?
C10 C7 C9 110.9(10) . . ?
C8 C7 C9 103.6(10) . . ?
C4 C7 C9 109.1(9) . . ?
C16 C11 C12 120.8(7) . . ?
C16 C11 S2 124.8(6) . . ?
C12 C11 S2 114.2(6) . . ?
C13 C12 C11 119.0(8) . . ?
C12 C13 C14 121.8(8) . . ?
C15 C14 C13 117.9(8) . . ?
C15 C14 C17 121.1(7) . . ?
C13 C14 C17 120.8(8) . . ?
C16 C15 C14 120.7(8) . . ?
C11 C16 C15 119.7(8) . . ?
C18 C17 C20 107.7(8) . . ?
C18 C17 C19 110.9(8) . . ?
C20 C17 C19 109.4(9) . . ?
C18 C17 C14 111.0(8) . . ?
C20 C17 C14 110.7(8) . . ?
C19 C17 C14 107.1(8) . . ?
C22 C21 C26 119.9(7) . . ?
C22 C21 S3 122.2(6) . . ?
C26 C21 S3 117.4(6) . . ?
C21 C22 C23 118.7(7) . . ?
C24 C23 C22 122.4(8) . . ?
C25 C24 C23 117.1(7) . . ?
C25 C24 C27 119.3(7) . . ?
C23 C24 C27 123.5(7) . . ?
C26 C25 C24 121.9(7) . . ?
C25 C26 C21 119.8(7) . . ?
C30 C27 C24 109.3(7) . . ?
C30 C27 C28 109.7(8) . . ?
C24 C27 C28 113.3(7) . . ?
C30 C27 C29 107.7(8) . . ?
C24 C27 C29 109.3(7) . . ?
C28 C27 C29 107.3(7) . . ?
C36 C31 C32 117.3(8) . . ?
C36 C31 S4 125.0(7) . . ?
C32 C31 S4 117.7(6) . . ?
C33 C32 C31 120.6(7) . . ?
C32 C33 C34 122.6(8) . . ?
C35 C34 C33 116.4(9) . . ?
C35 C34 C37 120.0(8) . . ?
C33 C34 C37 123.6(8) . . ?
C36 C35 C34 121.6(9) . . ?
C35 C36 C31 121.5(9) . . ?
C40 C37 C34 108.0(11) . . ?
C40 C37 C38 104.8(12) . . ?
C34 C37 C38 109.6(10) . . ?
C40 C37 C39 118.4(13) . . ?
C34 C37 C39 113.2(10) . . ?
C38 C37 C39 102.0(11) . . ?
C42 C41 C46 118.7(7) . . ?
C42 C41 S5 117.3(6) . . ?
C46 C41 S5 123.9(6) . . ?
C41 C42 C43 120.3(7) . . ?
C42 C43 C44 121.7(7) . . ?
C45 C44 C43 117.3(8) . . ?
C45 C44 C47 120.1(8) . . ?
C43 C44 C47 122.7(7) . . ?
C46 C45 C44 121.9(8) . . ?
C45 C46 C41 120.1(7) . . ?
C50 C47 C48 110.6(9) . . ?
C50 C47 C44 110.2(8) . . ?
C48 C47 C44 112.5(8) . . ?
C50 C47 C49 109.4(9) . . ?
C48 C47 C49 107.5(8) . . ?
C44 C47 C49 106.4(8) . . ?
C52 C51 C56 119.1(7) . . ?
C52 C51 S6 124.4(6) . . ?
C56 C51 S6 116.5(6) . . ?
C51 C52 C53 119.5(8) . . ?
C52 C53 C54 122.4(8) . . ?
C53 C54 C55 117.1(8) . . ?
C53 C54 C57 120.3(7) . . ?
C55 C54 C57 122.6(7) . . ?
C56 C55 C54 121.3(8) . . ?
C55 C56 C51 120.5(7) . . ?
C58 C57 C60 108.1(7) . . ?
C58 C57 C54 108.5(7) . . ?
C60 C57 C54 112.3(7) . . ?
C58 C57 C59 110.7(8) . . ?
C60 C57 C59 107.4(8) . . ?
C54 C57 C59 109.9(7) . . ?
C66' C61 C62 87.3(13) . . ?
C66' C61 C66 39.4(10) . . ?
C62 C61 C66 119.6(11) . . ?
C66' C61 C62' 114.7(13) . . ?
C62 C61 C62' 59.9(11) . . ?
C66 C61 C62' 110.0(11) . . ?
C66' C61 S7 125.5(12) . . ?
C62 C61 S7 119.1(10) . . ?
C66 C61 S7 116.0(8) . . ?
C62' C61 S7 119.8(9) . . ?
C61 C62 C63 118.7(14) . . ?
C61 C62 C62' 71.4(11) . . ?
C63 C62 C62' 84.7(14) . . ?
C61 C62 C66' 44.6(9) . . ?
C63 C62 C66' 85.9(12) . . ?
C62' C62 C66' 96.5(13) . . ?
C63' C62' C62 97.6(15) . . ?
C63' C62' C61 117.7(14) . . ?
C62 C62' C61 48.8(9) . . ?
C63' C62' C63 52.0(11) . . ?
C62 C62' C63 45.7(10) . . ?
C61 C62' C63 80.2(10) . . ?
C62' C63' C63 83.3(13) . . ?
C62' C63' C64 113.7(14) . . ?
C63 C63' C64 50.3(9) . . ?
C64 C63 C62 125.4(14) . . ?
C64 C63 C63' 68.1(11) . . ?
C62 C63 C63' 94.4(13) . . ?
C64 C63 C65' 41.9(9) . . ?
C62 C63 C65' 94.6(13) . . ?
C63' C63 C65' 96.7(13) . . ?
C64 C63 C62' 98.2(11) . . ?
C62 C63 C62' 49.7(10) . . ?
C63' C63 C62' 44.8(9) . . ?
C65' C63 C62' 99.9(12) . . ?
C65' C64 C63 83.7(14) . . ?
C65' C64 C65 42.0(11) . . ?
C63 C64 C65 111.7(12) . . ?
C65' C64 C67 127.9(14) . . ?
C63 C64 C67 124.7(11) . . ?
C65 C64 C67 121.8(10) . . ?
C65' C64 C63' 120.2(14) . . ?
C63 C64 C63' 61.6(10) . . ?
C65 C64 C63' 106.4(10) . . ?
C67 C64 C63' 111.8(10) . . ?
C65' C65 C66 96.9(17) . . ?
C65' C65 C64 48.4(14) . . ?
C66 C65 C64 120.5(13) . . ?
C65' C65 C66' 61.8(16) . . ?
C66 C65 C66' 35.1(9) . . ?
C64 C65 C66' 94.9(12) . . ?
C65 C65' C64 89.6(19) . . ?
C65 C65' C66' 79.8(17) . . ?
C64 C65' C66' 126.6(19) . . ?
C65 C65' C63 123(2) . . ?
C64 C65' C63 54.4(12) . . ?
C66' C65' C63 88.8(14) . . ?
C65 C65' C66 50.0(13) . . ?
C64 C65' C66 115.9(16) . . ?
C66' C65' C66 29.9(9) . . ?
C63 C65' C66 103.7(12) . . ?
C66' C66 C65 83.4(17) . . ?
C66' C66 C61 57.9(14) . . ?
C65 C66 C61 117.2(12) . . ?
C66' C66 C65' 50.4(15) . . ?
C65 C66 C65' 33.1(8) . . ?
C61 C66 C65' 92.4(10) . . ?
C66 C66' C61 82.7(17) . . ?
C66 C66' C65' 100(2) . . ?
C61 C66' C65' 126.2(18) . . ?
C66 C66' C65 61.4(15) . . ?
C61 C66' C65 118.3(16) . . ?
C65' C66' C65 38.4(10) . . ?
C66 C66' C62 122.2(19) . . ?
C61 C66' C62 48.1(10) . . ?
C65' C66' C62 90.5(14) . . ?
C65 C66' C62 111.9(14) . . ?
C68 C67 C69 109.5(9) . . ?
C68 C67 C64 111.3(9) . . ?
C69 C67 C64 109.5(9) . . ?
C68 C67 C70 109.2(9) . . ?
C69 C67 C70 107.4(8) . . ?
C64 C67 C70 109.9(8) . . ?
C76' C71 C72 88.8(13) . . ?
C76' C71 C72' 122.2(13) . . ?
C72 C71 C72' 55.7(10) . . ?
C76' C71 C76 41.8(11) . . ?
C72 C71 C76 113.7(11) . . ?
C72' C71 C76 108.3(10) . . ?
C76' C71 S8 118.1(11) . . ?
C72 C71 S8 125.9(8) . . ?
C72' C71 S8 119.7(8) . . ?
C76 C71 S8 117.3(8) . . ?
C72' C72 C73 97.4(14) . . ?
C72' C72 C71 65.7(10) . . ?
C73 C72 C71 122.8(13) . . ?
C72' C72 C76' 95.5(12) . . ?
C73 C72 C76' 91.6(13) . . ?
C71 C72 C76' 42.0(9) . . ?
C72' C72 C73' 48.3(10) . . ?
C73 C72 C73' 49.2(10) . . ?
C71 C72 C73' 97.3(10) . . ?
C76' C72 C73' 97.9(11) . . ?
C72 C72' C73' 85.2(14) . . ?
C72 C72' C71 58.6(10) . . ?
C73' C72' C71 117.2(14) . . ?
C72 C72' C73 42.1(10) . . ?
C73' C72' C73 43.3(10) . . ?
C71 C72' C73 85.5(10) . . ?
C74 C73 C72 123.6(16) . . ?
C74 C73 C73' 75.6(13) . . ?
C72 C73 C73' 82.8(14) . . ?
C74 C73 C75' 44.9(10) . . ?
C72 C73 C75' 88.3(13) . . ?
C73' C73 C75' 96.6(14) . . ?
C74 C73 C72' 100.5(12) . . ?
C72 C73 C72' 40.6(9) . . ?
C73' C73 C72' 42.3(10) . . ?
C75' C73 C72' 91.0(11) . . ?
C72' C73' C73 94.4(14) . . ?
C72' C73' C74 118.4(14) . . ?
C73 C73' C74 49.2(10) . . ?
C72' C73' C72 46.5(10) . . ?
C73 C73' C72 48.0(11) . . ?
C74 C73' C72 84.6(10) . . ?
C75' C74 C73 88.0(14) . . ?
C75' C74 C75 40.3(11) . . ?
C73 C74 C75 118.3(13) . . ?
C75' C74 C77 128.9(14) . . ?
C73 C74 C77 124.2(13) . . ?
C75 C74 C77 115.9(11) . . ?
C75' C74 C73' 109.2(14) . . ?
C73 C74 C73' 55.3(11) . . ?
C75 C74 C73' 103.8(11) . . ?
C77 C74 C73' 121.6(11) . . ?
C75' C75 C76 83.0(18) . . ?
C75' C75 C74 58.3(16) . . ?
C76 C75 C74 118.4(14) . . ?
C75' C75 C76' 49.3(17) . . ?
C76 C75 C76' 33.7(9) . . ?
C74 C75 C76' 94.7(12) . . ?
C75 C75' C74 81.4(18) . . ?
C75 C75' C76' 99(2) . . ?
C74 C75' C76' 132(2) . . ?
C75 C75' C76 61.1(16) . . ?
C74 C75' C76 118.7(17) . . ?
C76' C75' C76 38.3(11) . . ?
C75 C75' C73 117(2) . . ?
C74 C75' C73 47.0(10) . . ?
C76' C75' C73 94.2(16) . . ?
C76 C75' C73 109.5(14) . . ?
C76' C76 C75 94.7(18) . . ?
C76' C76 C71 54.5(15) . . ?
C75 C76 C71 119.8(13) . . ?
C76' C76 C75' 58.8(16) . . ?
C75 C76 C75' 35.9(10) . . ?
C71 C76 C75' 94.1(12) . . ?
C76 C76' C71 83.7(18) . . ?
C76 C76' C75' 83.0(19) . . ?
C71 C76' C75' 120.9(18) . . ?
C76 C76' C75 51.6(14) . . ?
C71 C76' C75 111.3(15) . . ?
C75' C76' C75 31.3(10) . . ?
C76 C76' C72 113.5(18) . . ?
C71 C76' C72 49.2(10) . . ?
C75' C76' C72 85.8(14) . . ?
C75 C76' C72 99.6(12) . . ?
C78 C77 C79 138.0(19) . . ?
C78 C77 C74 109.1(17) . . ?
C79 C77 C74 110.6(12) . . ?
C78 C77 C80 89.0(17) . . ?
C79 C77 C80 92.7(12) . . ?
C74 C77 C80 106.5(12) . . ?
C300 C200 C100 120(2) . . ?
C200 C300 C400 119(2) . . ?
C500 C400 C300 115(2) . . ?

_diffrn_measured_fraction_theta_max 0.899
_diffrn_reflns_theta_full        66.13
_diffrn_measured_fraction_theta_full 0.899
_refine_diff_density_max         3.010
_refine_diff_density_min         -1.311
_refine_diff_density_rms         0.197
####################################################################### 
# 
# 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_ruthenium8
_database_code_depnum_ccdc_archive 'CCDC 1522396'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C176 H208 Ag O16 Ru8 S16, 6(C H Cl3), 2(O), Cl'
_chemical_formula_sum            'C182 H214 Ag Cl19 O18 Ru8 S16'
_chemical_formula_weight         4792.65

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.7927(7)
_cell_length_b                   18.7549(8)
_cell_length_c                   19.7968(9)
_cell_angle_alpha                100.823(2)
_cell_angle_beta                 99.390(2)
_cell_angle_gamma                92.923(2)
_cell_volume                     5662.0(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    100
_cell_measurement_theta_min      4
_cell_measurement_theta_max      60

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2428
_exptl_absorpt_coefficient_mu    8.729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_T_max  0.50
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            70572
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.85
_diffrn_reflns_theta_max         66.37
_reflns_number_total             18418
_reflns_number_gt                15176
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.1800P)²+0.0000P] where P=(Fo²+2Fc²)/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         18418
_refine_ls_number_parameters     691
_refine_ls_number_restraints     760
_refine_ls_R_factor_all          0.1527
_refine_ls_R_factor_gt           0.1390
_refine_ls_wR_factor_ref         0.3798
_refine_ls_wR_factor_gt          0.3581
_refine_ls_goodness_of_fit_ref   1.788
_refine_ls_restrained_S_all      2.117
_refine_ls_shift/su_max          0.004
_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
Ru1 Ru 0.15098(5) 0.69519(4) 0.60110(4) 0.0275(3) Uani 1 1 d . . .
Ru2 Ru 0.28518(5) 0.57205(5) 0.56778(4) 0.0285(3) Uani 1 1 d . . .
Ru3 Ru 0.26923(5) 0.34123(5) 0.50203(4) 0.0293(3) Uani 1 1 d . . .
Ru4 Ru 0.11053(5) 0.27368(5) 0.37884(4) 0.0355(3) Uani 1 1 d . . .
Ag1 Ag -0.03054(11) 0.53741(9) 0.53047(7) 0.0331(4) Uani 0.50 1 d P . .
S1 S 0.01456(16) 0.65705(15) 0.62844(12) 0.0271(6) Uani 1 1 d D . .
C1 C 0.0309(11) 0.6437(8) 0.7166(6) 0.0671(18) Uani 1 1 d D . .
C2 C 0.0551(11) 0.7007(9) 0.7717(6) 0.0671(18) Uani 1 1 d D . .
H2A H 0.0701 0.7477 0.7636 0.080 Uiso 1 1 calc R . .
C3 C 0.0576(11) 0.6900(8) 0.8396(6) 0.0671(18) Uani 1 1 d D . .
H3A H 0.0723 0.7304 0.8774 0.080 Uiso 1 1 calc R . .
C4 C 0.0390(11) 0.6213(8) 0.8532(6) 0.0671(18) Uani 1 1 d D . .
C5 C 0.0176(11) 0.5621(9) 0.7957(6) 0.0671(18) Uani 1 1 d D . .
H5A H 0.0043 0.5146 0.8033 0.080 Uiso 1 1 calc R . .
C6 C 0.0161(11) 0.5734(8) 0.7283(6) 0.0671(18) Uani 1 1 d D . .
H6A H 0.0048 0.5333 0.6900 0.080 Uiso 1 1 calc R . .
C7 C 0.0421(11) 0.6082(9) 0.9277(6) 0.0671(18) Uani 1 1 d D . .
C8 C 0.093(2) 0.5452(16) 0.9348(12) 0.183(9) Uani 1 1 d D . .
H8A H 0.0968 0.5358 0.9821 0.274 Uiso 1 1 calc R . .
H8B H 0.1514 0.5561 0.9260 0.274 Uiso 1 1 calc R . .
H8C H 0.0655 0.5022 0.9008 0.274 Uiso 1 1 calc R . .
C9 C -0.0553(15) 0.587(2) 0.9344(12) 0.183(9) Uani 1 1 d D . .
H9A H -0.0570 0.5787 0.9815 0.274 Uiso 1 1 calc R . .
H9B H -0.0782 0.5432 0.8999 0.274 Uiso 1 1 calc R . .
H9C H -0.0903 0.6276 0.9260 0.274 Uiso 1 1 calc R . .
C10 C 0.068(2) 0.6743(14) 0.9811(10) 0.183(9) Uani 1 1 d D . .
H10A H 0.0687 0.6629 1.0275 0.274 Uiso 1 1 calc R . .
H10B H 0.0268 0.7108 0.9738 0.274 Uiso 1 1 calc R . .
H10C H 0.1255 0.6937 0.9777 0.274 Uiso 1 1 calc R . .
S2 S 0.2867(2) 0.69949(17) 0.5591(2) 0.0540(10) Uani 1 1 d D . .
C11 C 0.3729(8) 0.7571(8) 0.6126(12) 0.101(3) Uani 1 1 d D . .
C12 C 0.4563(8) 0.7393(9) 0.6180(11) 0.101(3) Uani 1 1 d D . .
H12A H 0.4680 0.6939 0.5924 0.122 Uiso 1 1 calc R . .
C13 C 0.5242(9) 0.7851(9) 0.6597(12) 0.101(3) Uani 1 1 d D . .
H13A H 0.5813 0.7707 0.6634 0.122 Uiso 1 1 calc R . .
C14 C 0.5078(8) 0.8527(8) 0.6959(11) 0.101(3) Uani 1 1 d D . .
C15 C 0.4246(8) 0.8761(9) 0.6810(11) 0.101(3) Uani 1 1 d D . .
H15A H 0.4138 0.9244 0.7003 0.122 Uiso 1 1 calc R . .
C16 C 0.3580(9) 0.8289(8) 0.6380(12) 0.101(3) Uani 1 1 d D . .
H16A H 0.3027 0.8456 0.6261 0.122 Uiso 1 1 calc R . .
C17 C 0.5791(9) 0.9039(9) 0.7448(10) 0.101(3) Uani 1 1 d D . .
C18 C 0.5565(15) 0.9238(15) 0.8163(13) 0.220(14) Uani 1 1 d D . .
H18A H 0.6045 0.9541 0.8480 0.330 Uiso 1 1 calc R . .
H18B H 0.5451 0.8793 0.8337 0.330 Uiso 1 1 calc R . .
H18C H 0.5049 0.9508 0.8138 0.330 Uiso 1 1 calc R . .
C19 C 0.6649(12) 0.8629(13) 0.7541(16) 0.220(14) Uani 1 1 d D . .
H19A H 0.7108 0.8956 0.7861 0.330 Uiso 1 1 calc R . .
H19B H 0.6826 0.8483 0.7086 0.330 Uiso 1 1 calc R . .
H19C H 0.6542 0.8195 0.7734 0.330 Uiso 1 1 calc R . .
C20 C 0.6017(15) 0.9634(12) 0.7118(15) 0.220(14) Uani 1 1 d D . .
H20A H 0.6501 0.9947 0.7420 0.330 Uiso 1 1 calc R . .
H20B H 0.5521 0.9921 0.7042 0.330 Uiso 1 1 calc R . .
H20C H 0.6182 0.9437 0.6667 0.330 Uiso 1 1 calc R . .
S3 S 0.21157(17) 0.60744(15) 0.66639(13) 0.0317(6) Uani 1 1 d . . .
C21 C 0.2767(13) 0.6436(14) 0.7498(10) 0.103(3) Uani 1 1 d . . .
C22 C 0.2512(13) 0.6261(13) 0.8014(10) 0.103(3) Uani 1 1 d . . .
H22A H 0.1992 0.5961 0.7956 0.123 Uiso 1 1 calc R . .
C23 C 0.3026(13) 0.6526(14) 0.8707(10) 0.103(3) Uani 1 1 d . . .
H23A H 0.2905 0.6316 0.9086 0.123 Uiso 1 1 calc R . .
C24 C 0.3659(13) 0.7052(14) 0.8823(10) 0.103(3) Uani 1 1 d . A .
C25 C 0.3908(13) 0.7314(14) 0.8219(9) 0.103(3) Uani 1 1 d . . .
H25A H 0.4359 0.7689 0.8291 0.123 Uiso 1 1 calc R . .
C26 C 0.3475(13) 0.7005(13) 0.7527(10) 0.103(3) Uani 1 1 d . . .
H26A H 0.3623 0.7148 0.7123 0.123 Uiso 1 1 calc R . .
C27 C 0.4068(10) 0.7430(10) 0.9569(7) 0.103(3) Uani 1 1 d D . .
C28 C 0.415(2) 0.6894(15) 1.0045(17) 0.090(7) Uiso 0.50 1 d PD A 1
H28A H 0.4461 0.7137 1.0508 0.135 Uiso 0.50 1 calc PR A 1
H28B H 0.4468 0.6491 0.9853 0.135 Uiso 0.50 1 calc PR A 1
H28C H 0.3575 0.6704 1.0087 0.135 Uiso 0.50 1 calc PR A 1
C29 C 0.4961(13) 0.7763(18) 0.9602(19) 0.090(7) Uiso 0.50 1 d PD A 1
H29A H 0.5218 0.7966 1.0090 0.135 Uiso 0.50 1 calc PR A 1
H29B H 0.4936 0.8151 0.9333 0.135 Uiso 0.50 1 calc PR A 1
H29C H 0.5313 0.7388 0.9406 0.135 Uiso 0.50 1 calc PR A 1
C30 C 0.358(2) 0.8027(15) 0.9890(19) 0.090(7) Uiso 0.50 1 d PD A 1
H30A H 0.3883 0.8246 1.0361 0.135 Uiso 0.50 1 calc PR A 1
H30B H 0.3001 0.7827 0.9917 0.135 Uiso 0.50 1 calc PR A 1
H30C H 0.3526 0.8400 0.9603 0.135 Uiso 0.50 1 calc PR A 1
C28' C 0.349(2) 0.739(2) 1.0093(18) 0.108 Uiso 0.50 1 d PD A -2
H28D H 0.3803 0.7597 1.0564 0.135 Uiso 0.50 1 calc PR A -2
H28E H 0.3290 0.6879 1.0068 0.135 Uiso 0.50 1 calc PR A -2
H28F H 0.2988 0.7666 0.9989 0.135 Uiso 0.50 1 calc PR A -2
C29' C 0.417(2) 0.8217(13) 0.952(2) 0.108 Uiso 0.50 1 d PD A -2
H29D H 0.4421 0.8510 0.9980 0.135 Uiso 0.50 1 calc PR A -2
H29E H 0.3603 0.8380 0.9363 0.135 Uiso 0.50 1 calc PR A -2
H29F H 0.4547 0.8277 0.9185 0.135 Uiso 0.50 1 calc PR A -2
C30' C 0.4933(14) 0.725(2) 0.990(2) 0.108 Uiso 0.50 1 d PD A -2
H30D H 0.5079 0.7519 1.0378 0.135 Uiso 0.50 1 calc PR A -2
H30E H 0.5368 0.7380 0.9629 0.135 Uiso 0.50 1 calc PR A -2
H30F H 0.4918 0.6723 0.9891 0.135 Uiso 0.50 1 calc PR A -2
S4 S 0.13350(16) 0.58065(15) 0.50972(13) 0.0282(6) Uani 1 1 d D . .
C31 C 0.1220(7) 0.6083(9) 0.4271(6) 0.0512(14) Uani 1 1 d D . .
C32 C 0.0410(7) 0.6095(8) 0.3907(6) 0.0512(14) Uani 1 1 d D . .
H32A H -0.0075 0.5939 0.4086 0.061 Uiso 1 1 calc R . .
C33 C 0.0291(8) 0.6334(8) 0.3273(6) 0.0512(14) Uani 1 1 d D . .
H33A H -0.0279 0.6352 0.3037 0.061 Uiso 1 1 calc R . .
C34 C 0.0975(7) 0.6547(8) 0.2978(6) 0.0512(14) Uani 1 1 d D . .
C35 C 0.1797(7) 0.6537(8) 0.3365(6) 0.0512(14) Uani 1 1 d D . .
H35A H 0.2288 0.6693 0.3193 0.061 Uiso 1 1 calc R . .
C36 C 0.1906(8) 0.6306(8) 0.3991(6) 0.0512(14) Uani 1 1 d D . .
H36A H 0.2473 0.6300 0.4238 0.061 Uiso 1 1 calc R . .
C37 C 0.0845(8) 0.6882(8) 0.2329(6) 0.0512(14) Uani 1 1 d D . .
C38 C 0.1056(17) 0.7676(10) 0.2527(9) 0.125(6) Uani 1 1 d D . .
H38A H 0.0968 0.7889 0.2108 0.187 Uiso 1 1 calc R . .
H38B H 0.1658 0.7780 0.2760 0.187 Uiso 1 1 calc R . .
H38C H 0.0681 0.7889 0.2846 0.187 Uiso 1 1 calc R . .
C39 C 0.1467(14) 0.6520(13) 0.1829(9) 0.125(6) Uani 1 1 d D . .
H39A H 0.1384 0.6714 0.1398 0.187 Uiso 1 1 calc R . .
H39B H 0.1332 0.5991 0.1714 0.187 Uiso 1 1 calc R . .
H39C H 0.2067 0.6632 0.2066 0.187 Uiso 1 1 calc R . .
C40 C 0.0002(13) 0.6650(14) 0.1881(9) 0.125(6) Uani 1 1 d D . .
H40B H -0.0039 0.6867 0.1465 0.187 Uiso 1 1 calc R . .
H40C H -0.0455 0.6810 0.2140 0.187 Uiso 1 1 calc R . .
H40D H -0.0060 0.6117 0.1739 0.187 Uiso 1 1 calc R . .
S5 S 0.23881(16) 0.45051(14) 0.57655(12) 0.0249(6) Uani 1 1 d D . .
C41 C 0.2680(7) 0.4389(9) 0.6653(5) 0.0528(14) Uani 1 1 d D . .
C42 C 0.3494(7) 0.4278(9) 0.6940(6) 0.0528(14) Uani 1 1 d D . .
H42A H 0.3951 0.4315 0.6687 0.063 Uiso 1 1 calc R . .
C43 C 0.3665(8) 0.4109(9) 0.7606(6) 0.0528(14) Uani 1 1 d D . .
H43A H 0.4229 0.4009 0.7793 0.063 Uiso 1 1 calc R . .
C44 C 0.2998(7) 0.4086(9) 0.7999(6) 0.0528(14) Uani 1 1 d D . .
C45 C 0.2181(8) 0.4261(9) 0.7720(6) 0.0528(14) Uani 1 1 d D . .
H45A H 0.1736 0.4294 0.7991 0.063 Uiso 1 1 calc R . .
C46 C 0.2025(8) 0.4387(9) 0.7041(6) 0.0528(14) Uani 1 1 d D . .
H46A H 0.1461 0.4473 0.6841 0.063 Uiso 1 1 calc R . .
C47 C 0.3187(8) 0.3871(8) 0.8715(6) 0.0528(14) Uani 1 1 d D . .
C48 C 0.2411(11) 0.3879(16) 0.9073(10) 0.142(8) Uani 1 1 d D . .
H48A H 0.2569 0.3738 0.9527 0.214 Uiso 1 1 calc R . .
H48B H 0.1948 0.3535 0.8782 0.214 Uiso 1 1 calc R . .
H48C H 0.2215 0.4370 0.9145 0.214 Uiso 1 1 calc R . .
C49 C 0.3418(14) 0.3051(11) 0.8606(10) 0.142(8) Uani 1 1 d D . .
H49A H 0.3564 0.2912 0.9062 0.214 Uiso 1 1 calc R . .
H49B H 0.3911 0.2998 0.8363 0.214 Uiso 1 1 calc R . .
H49C H 0.2921 0.2734 0.8327 0.214 Uiso 1 1 calc R . .
C50 C 0.3957(13) 0.4299(15) 0.9136(10) 0.142(8) Uani 1 1 d D . .
H50A H 0.4085 0.4149 0.9588 0.214 Uiso 1 1 calc R . .
H50B H 0.3858 0.4817 0.9212 0.214 Uiso 1 1 calc R . .
H50C H 0.4446 0.4218 0.8891 0.214 Uiso 1 1 calc R . .
S6 S 0.25517(19) 0.23971(19) 0.40508(19) 0.0524(10) Uani 1 1 d D . .
C51 C 0.2629(11) 0.1507(7) 0.4268(12) 0.115(4) Uani 1 1 d D . .
C52 C 0.2122(11) 0.0916(7) 0.3848(12) 0.115(4) Uani 1 1 d D . .
H52A H 0.1683 0.0985 0.3482 0.138 Uiso 1 1 calc R . .
C53 C 0.2261(11) 0.0211(8) 0.3966(11) 0.115(4) Uani 1 1 d D . .
H53A H 0.1900 -0.0188 0.3675 0.138 Uiso 1 1 calc R . .
C54 C 0.2902(11) 0.0063(7) 0.4491(11) 0.115(4) Uani 1 1 d D . .
C55 C 0.3453(11) 0.0676(7) 0.4853(12) 0.115(4) Uani 1 1 d D . .
H55A H 0.3915 0.0613 0.5204 0.138 Uiso 1 1 calc R . .
C56 C 0.3349(11) 0.1377(8) 0.4718(12) 0.115(4) Uani 1 1 d D . .
H56A H 0.3774 0.1764 0.4935 0.138 Uiso 1 1 calc R . .
C57 C 0.3030(10) -0.0695(7) 0.4682(11) 0.115(4) Uani 1 1 d D . .
C58 C 0.3951(13) -0.0759(14) 0.4936(17) 0.157(8) Uani 1 1 d D . .
H58A H 0.4019 -0.1231 0.5073 0.235 Uiso 1 1 calc R . .
H58B H 0.4165 -0.0367 0.5340 0.235 Uiso 1 1 calc R . .
H58C H 0.4279 -0.0722 0.4563 0.235 Uiso 1 1 calc R . .
C59 C 0.2635(18) -0.0732(14) 0.5389(15) 0.157(8) Uani 1 1 d D . .
H59A H 0.2724 -0.1206 0.5518 0.235 Uiso 1 1 calc R . .
H59B H 0.2017 -0.0670 0.5302 0.235 Uiso 1 1 calc R . .
H59C H 0.2927 -0.0343 0.5771 0.235 Uiso 1 1 calc R . .
C60 C 0.2434(17) -0.1247(12) 0.4224(15) 0.157(8) Uani 1 1 d D . .
H60A H 0.2501 -0.1713 0.4375 0.235 Uiso 1 1 calc R . .
H60B H 0.2550 -0.1295 0.3746 0.235 Uiso 1 1 calc R . .
H60C H 0.1845 -0.1113 0.4236 0.235 Uiso 1 1 calc R . .
S7 S 0.19119(17) 0.39446(17) 0.40990(12) 0.0329(6) Uani 1 1 d D . .
C61 C 0.2450(8) 0.4080(9) 0.3395(6) 0.0633(18) Uani 1 1 d D . .
C62 C 0.2095(8) 0.4524(9) 0.2980(6) 0.0633(18) Uani 1 1 d D . .
H62A H 0.1594 0.4751 0.3084 0.076 Uiso 1 1 calc R . .
C63 C 0.2438(8) 0.4660(9) 0.2407(6) 0.0633(18) Uani 1 1 d D . .
H63A H 0.2199 0.4999 0.2143 0.076 Uiso 1 1 calc R . .
C64 C 0.3146(8) 0.4290(8) 0.2225(6) 0.0633(18) Uani 1 1 d D . .
C65 C 0.3483(8) 0.3806(9) 0.2641(6) 0.0633(18) Uani 1 1 d D . .
H65A H 0.3940 0.3529 0.2513 0.076 Uiso 1 1 calc R . .
C66 C 0.3157(8) 0.3727(9) 0.3235(6) 0.0633(18) Uani 1 1 d D . .
H66A H 0.3423 0.3429 0.3533 0.076 Uiso 1 1 calc R . .
C67 C 0.3535(8) 0.4341(9) 0.1576(6) 0.0633(18) Uani 1 1 d D . .
C68 C 0.4499(11) 0.4379(17) 0.1727(11) 0.145(7) Uani 1 1 d D . .
H68A H 0.4725 0.4399 0.1297 0.218 Uiso 1 1 calc R . .
H68B H 0.4683 0.3947 0.1903 0.218 Uiso 1 1 calc R . .
H68C H 0.4721 0.4817 0.2080 0.218 Uiso 1 1 calc R . .
C69 C 0.3295(17) 0.3558(13) 0.1054(10) 0.145(7) Uani 1 1 d D . .
H69A H 0.3521 0.3566 0.0622 0.218 Uiso 1 1 calc R . .
H69B H 0.2668 0.3455 0.0944 0.218 Uiso 1 1 calc R . .
H69C H 0.3552 0.3179 0.1280 0.218 Uiso 1 1 calc R . .
C70 C 0.3124(15) 0.4831(14) 0.1176(10) 0.145(7) Uani 1 1 d D . .
H70A H 0.3384 0.4827 0.0759 0.218 Uiso 1 1 calc R . .
H70B H 0.3199 0.5325 0.1460 0.218 Uiso 1 1 calc R . .
H70C H 0.2508 0.4676 0.1035 0.218 Uiso 1 1 calc R . .
S8 S 0.11843(17) 0.30177(14) 0.50493(13) 0.0288(6) Uani 1 1 d D . .
C71 C 0.1201(12) 0.2281(7) 0.5508(8) 0.085(3) Uani 1 1 d D . .
C72 C 0.1405(12) 0.2478(8) 0.6221(8) 0.085(3) Uani 1 1 d D . .
H72A H 0.1579 0.2975 0.6426 0.102 Uiso 1 1 calc R . .
C73 C 0.1366(12) 0.1979(7) 0.6656(9) 0.085(3) Uani 1 1 d D . .
H73A H 0.1494 0.2138 0.7149 0.102 Uiso 1 1 calc R . .
C74 C 0.1135(12) 0.1242(7) 0.6361(8) 0.085(3) Uani 1 1 d D . .
C75 C 0.1051(12) 0.1033(8) 0.5629(8) 0.085(3) Uani 1 1 d D . .
H75A H 0.1004 0.0529 0.5421 0.102 Uiso 1 1 calc R . .
C76 C 0.1036(12) 0.1551(7) 0.5197(9) 0.085(3) Uani 1 1 d D . .
H76A H 0.0916 0.1403 0.4703 0.102 Uiso 1 1 calc R . .
C77 C 0.1015(11) 0.0681(9) 0.6827(10) 0.085(3) Uani 1 1 d D . .
C78 C 0.0095(14) 0.0424(15) 0.6751(19) 0.212(13) Uani 1 1 d D . .
H78A H 0.0036 0.0080 0.7061 0.318 Uiso 1 1 calc R . .
H78B H -0.0122 0.0180 0.6266 0.318 Uiso 1 1 calc R . .
H78C H -0.0238 0.0841 0.6876 0.318 Uiso 1 1 calc R . .
C79 C 0.1506(19) -0.0008(12) 0.6542(17) 0.212(13) Uani 1 1 d D . .
H79A H 0.1468 -0.0373 0.6834 0.318 Uiso 1 1 calc R . .
H79B H 0.2113 0.0147 0.6560 0.318 Uiso 1 1 calc R . .
H79C H 0.1239 -0.0220 0.6059 0.318 Uiso 1 1 calc R . .
C80 C 0.147(2) 0.0983(13) 0.7530(12) 0.212(13) Uani 1 1 d D . .
H80A H 0.1408 0.0629 0.7830 0.318 Uiso 1 1 calc R . .
H80B H 0.1221 0.1432 0.7715 0.318 Uiso 1 1 calc R . .
H80C H 0.2079 0.1090 0.7521 0.318 Uiso 1 1 calc R . .
O1 O 0.0842(5) 0.7901(5) 0.5000(5) 0.0412(16) Uani 1 1 d U . .
O2 O 0.1867(6) 0.8250(5) 0.7189(6) 0.061(2) Uani 1 1 d U . .
O3 O 0.4574(5) 0.5710(5) 0.6547(4) 0.0448(17) Uani 1 1 d U . .
O4 O 0.3693(5) 0.5273(5) 0.4429(4) 0.0413(17) Uani 1 1 d U . .
O5 O 0.3375(6) 0.2615(5) 0.6164(6) 0.057(2) Uani 1 1 d U . .
O6 O 0.4496(5) 0.3956(5) 0.4945(5) 0.0481(19) Uani 1 1 d U . .
O7 O 0.1359(7) 0.2599(7) 0.2278(5) 0.073(3) Uani 1 1 d U . .
O8 O -0.0077(6) 0.1348(5) 0.3434(6) 0.057(2) Uani 1 1 d U . .
C100 C 0.1045(8) 0.7548(7) 0.5374(7) 0.0412(16) Uani 1 1 d U . .
C200 C 0.1757(10) 0.7762(8) 0.6736(8) 0.061(2) Uani 1 1 d U . .
C300 C 0.3928(8) 0.5708(8) 0.6233(7) 0.0448(17) Uani 1 1 d U . .
C400 C 0.3358(8) 0.5430(7) 0.4864(6) 0.0413(17) Uani 1 1 d U . .
C500 C 0.3128(9) 0.2907(8) 0.5757(9) 0.057(2) Uani 1 1 d U . .
C600 C 0.3821(8) 0.3746(8) 0.4966(7) 0.0481(19) Uani 1 1 d U . .
C700 C 0.1248(10) 0.2645(11) 0.2855(8) 0.073(3) Uani 1 1 d U . .
C800 C 0.0411(9) 0.1855(7) 0.3603(9) 0.057(2) Uani 1 1 d U . .
C1S C 0.1499(4) 0.9233(5) 0.1180(4) 0.120(9) Uiso 1 1 d D . .
H1SA H 0.1502 0.9549 0.0826 0.144 Uiso 0.50 1 calc PRD B 1
Cl1S Cl 0.1442(13) 0.9691(7) 0.1972(5) 0.225(5) Uiso 0.50 1 d PD C 1
Cl2S Cl 0.0676(9) 0.8602(8) 0.0987(9) 0.225(5) Uiso 0.50 1 d PD C 1
Cl3S Cl 0.2372(8) 0.8781(10) 0.1288(10) 0.225(5) Uiso 0.50 1 d PD C 1
H1SB H 0.1035 0.9456 0.1073 0.270 Uiso 0.50 1 d PD D -2
Cl4S Cl 0.2415(5) 0.9519(11) 0.0939(10) 0.225(5) Uiso 0.50 1 d PD C -2
Cl5S Cl 0.1443(13) 0.8322(4) 0.0857(10) 0.225(5) Uiso 0.50 1 d PD C -2
Cl6S Cl 0.1841(11) 0.9259(11) 0.2046(5) 0.225(5) Uiso 0.50 1 d PD C -2
C2S C 0.4606(6) 0.6765(7) 0.3227(7) 0.259(4) Uani 1 1 d DU . .
H2SA H 0.5232 0.6789 0.3197 0.310 Uiso 1 1 calc RD . .
Cl7S Cl 0.4015(8) 0.7161(7) 0.2654(7) 0.259(4) Uani 1 1 d DU . .
Cl8S Cl 0.4404(8) 0.7164(7) 0.4000(7) 0.259(4) Uani 1 1 d DU . .
Cl9S Cl 0.4151(8) 0.5922(6) 0.3092(8) 0.259(4) Uani 1 1 d DU . .
C3S C 0.1607(8) 0.1534(7) 1.0060(6) 0.168(6) Uani 0.50 1 d PDU . .
H3SA H 0.1240 0.1062 0.9905 0.202 Uiso 0.50 1 calc PRD . .
Cl10 Cl 0.2646(8) 0.1432(7) 1.0288(8) 0.168(6) Uani 0.50 1 d PDU . .
Cl11 Cl 0.1559(10) 0.2040(10) 0.9453(5) 0.229(10) Uani 0.50 1 d PDU . .
Cl12 Cl 0.1348(7) 0.2070(7) 1.0749(4) 0.124(5) Uani 0.50 1 d PDU . .
C4S C 0.3307(7) 0.0231(7) 0.8984(6) 0.116(4) Uani 0.50 1 d PDU . .
H4SA H 0.2779 0.0391 0.9167 0.139 Uiso 0.50 1 calc PRD . .
Cl13 Cl 0.3125(6) -0.0532(6) 0.8382(5) 0.116(4) Uani 0.50 1 d PDU . .
Cl14 Cl 0.3758(10) 0.0840(6) 0.8612(8) 0.167(6) Uani 0.50 1 d PDU . .
Cl15 Cl 0.4086(8) 0.0077(8) 0.9599(5) 0.162(6) Uani 0.50 1 d PDU . .
Cl1 Cl -0.049(2) 1.0911(14) 0.1832(8) 0.141(13) Uani 0.25 1 d P . .
Cl2 Cl -0.0476(10) 1.0050(8) 0.0579(6) 0.055(4) Uani 0.25 1 d P E 1
O1W O 0.5226(15) 0.1213(15) 0.8187(11) 0.089(9) Uani 0.50 1 d P . .
O2W O 0.3802(17) 0.143(2) 0.715(2) 0.17(2) Uani 0.50 1 d P . .


_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
Ru1 C200 1.859(15) . ?
Ru1 C100 1.921(12) . ?
Ru1 S1 2.411(2) . ?
Ru1 S3 2.419(3) . ?
Ru1 S2 2.425(3) . ?
Ru1 S4 2.506(3) . ?
Ru2 C300 1.871(13) . ?
Ru2 C400 1.915(13) . ?
Ru2 S5 2.405(3) . ?
Ru2 S2 2.428(3) . ?
Ru2 S3 2.436(3) . ?
Ru2 S4 2.509(3) . ?
Ru3 C600 1.886(13) . ?
Ru3 C500 1.939(15) . ?
Ru3 S5 2.409(3) . ?
Ru3 S6 2.409(3) . ?
Ru3 S7 2.433(3) . ?
Ru3 S8 2.471(3) . ?
Ru4 C700 1.875(15) . ?
Ru4 C800 1.877(14) . ?
Ru4 S6 2.404(3) . ?
Ru4 S1 2.419(3) 2_566 ?
Ru4 S8 2.433(3) . ?
Ru4 S7 2.461(3) . ?
Ag1 Ag1 2.058(4) 2_566 ?
Ag1 S4 2.594(3) 2_566 ?
Ag1 S1 2.656(3) . ?
Ag1 S4 2.792(3) . ?
S1 C1 1.788(11) . ?
S1 Ru4 2.419(3) 2_566 ?
C1 C2 1.364(15) . ?
C1 C6 1.396(15) . ?
C2 C3 1.391(13) . ?
C3 C4 1.391(15) . ?
C4 C5 1.416(15) . ?
C4 C7 1.534(13) . ?
C5 C6 1.388(13) . ?
C7 C10 1.462(19) . ?
C7 C8 1.479(18) . ?
C7 C9 1.599(19) . ?
S2 C11 1.760(13) . ?
C11 C12 1.367(15) . ?
C11 C16 1.391(15) . ?
C12 C13 1.386(15) . ?
C13 C14 1.393(15) . ?
C14 C15 1.410(15) . ?
C14 C17 1.521(14) . ?
C15 C16 1.395(15) . ?
C17 C20 1.454(19) . ?
C17 C18 1.499(18) . ?
C17 C19 1.594(19) . ?
S3 C21 1.788(16) . ?
C21 C22 1.25(3) . ?
C21 C26 1.49(3) . ?
C22 C23 1.46(2) . ?
C23 C24 1.33(3) . ?
C24 C25 1.48(3) . ?
C24 C27 1.533(18) . ?
C25 C26 1.426(19) . ?
C27 C30 1.498(5) . ?
C27 C28 1.497(5) . ?
C27 C30' 1.498(5) . ?
C27 C29 1.500(5) . ?
C27 C29' 1.501(5) . ?
C27 C28' 1.502(5) . ?
S4 C31 1.791(10) . ?
S4 Ag1 2.594(3) 2_566 ?
C31 C32 1.366(13) . ?
C31 C36 1.375(13) . ?
C32 C33 1.398(13) . ?
C33 C34 1.383(13) . ?
C34 C35 1.399(13) . ?
C34 C37 1.523(13) . ?
C35 C36 1.377(13) . ?
C37 C40 1.470(17) . ?
C37 C38 1.474(17) . ?
C37 C39 1.593(18) . ?
S5 C41 1.799(10) . ?
C41 C42 1.361(13) . ?
C41 C46 1.386(13) . ?
C42 C43 1.399(13) . ?
C43 C44 1.411(13) . ?
C44 C45 1.399(13) . ?
C44 C47 1.534(12) . ?
C45 C46 1.392(12) . ?
C47 C50 1.463(17) . ?
C47 C48 1.512(16) . ?
C47 C49 1.582(19) . ?
S6 C51 1.805(14) . ?
C51 C52 1.381(15) . ?
C51 C56 1.388(15) . ?
C52 C53 1.407(15) . ?
C53 C54 1.405(15) . ?
C54 C55 1.407(15) . ?
C54 C57 1.554(15) . ?
C55 C56 1.401(16) . ?
C57 C60 1.432(18) . ?
C57 C58 1.478(18) . ?
C57 C59 1.63(2) . ?
S7 C61 1.797(10) . ?
C61 C62 1.355(15) . ?
C61 C66 1.378(15) . ?
C62 C63 1.394(13) . ?
C63 C64 1.406(14) . ?
C64 C65 1.404(15) . ?
C64 C67 1.528(12) . ?
C65 C66 1.388(13) . ?
C67 C70 1.435(18) . ?
C67 C68 1.499(17) . ?
C67 C69 1.617(19) . ?
S8 C71 1.789(11) . ?
C71 C72 1.369(16) . ?
C71 C76 1.384(15) . ?
C72 C73 1.392(14) . ?
C73 C74 1.401(15) . ?
C74 C75 1.412(16) . ?
C74 C77 1.546(14) . ?
C75 C76 1.408(14) . ?
C77 C80 1.452(19) . ?
C77 C78 1.482(18) . ?
C77 C79 1.60(2) . ?
O1 C100 1.103(14) . ?
O2 C200 1.139(17) . ?
O3 C300 1.105(15) . ?
O4 C400 1.085(14) . ?
O5 C500 1.088(17) . ?
O6 C600 1.128(15) . ?
O7 C700 1.172(18) . ?
O8 C800 1.154(16) . ?
C1S Cl2S 1.658(4) . ?
C1S Cl1S 1.658(4) . ?
C1S Cl3S 1.662(4) . ?
C1S Cl4S 1.689(5) . ?
C1S Cl5S 1.700(5) . ?
C1S Cl6S 1.702(5) . ?
C2S Cl7S 1.659(5) . ?
C2S Cl9S 1.659(5) . ?
C2S Cl8S 1.659(5) . ?
C3S Cl12 1.659(5) . ?
C3S Cl11 1.659(5) . ?
C3S Cl10 1.660(5) . ?
C4S Cl15 1.660(5) . ?
C4S Cl13 1.660(5) . ?
C4S Cl14 1.661(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
C200 Ru1 C100 90.9(7) . . ?
C200 Ru1 S1 95.9(5) . . ?
C100 Ru1 S1 95.8(4) . . ?
C200 Ru1 S3 96.9(5) . . ?
C100 Ru1 S3 171.7(4) . . ?
S1 Ru1 S3 86.27(10) . . ?
C200 Ru1 S2 98.1(5) . . ?
C100 Ru1 S2 90.2(4) . . ?
S1 Ru1 S2 164.67(11) . . ?
S3 Ru1 S2 85.90(12) . . ?
C200 Ru1 S4 173.3(5) . . ?
C100 Ru1 S4 94.6(4) . . ?
S1 Ru1 S4 87.44(9) . . ?
S3 Ru1 S4 77.44(9) . . ?
S2 Ru1 S4 78.00(11) . . ?
C300 Ru2 C400 89.1(6) . . ?
C300 Ru2 S5 93.2(4) . . ?
C400 Ru2 S5 95.4(4) . . ?
C300 Ru2 S2 101.0(4) . . ?
C400 Ru2 S2 94.6(4) . . ?
S5 Ru2 S2 162.79(10) . . ?
C300 Ru2 S3 94.6(4) . . ?
C400 Ru2 S3 176.3(4) . . ?
S5 Ru2 S3 83.65(9) . . ?
S2 Ru2 S3 85.46(11) . . ?
C300 Ru2 S4 171.6(4) . . ?
C400 Ru2 S4 99.3(4) . . ?
S5 Ru2 S4 86.69(9) . . ?
S2 Ru2 S4 77.90(11) . . ?
S3 Ru2 S4 77.07(9) . . ?
C600 Ru3 C500 91.0(6) . . ?
C600 Ru3 S5 96.0(4) . . ?
C500 Ru3 S5 97.0(5) . . ?
C600 Ru3 S6 95.8(4) . . ?
C500 Ru3 S6 97.9(5) . . ?
S5 Ru3 S6 160.81(11) . . ?
C600 Ru3 S7 98.6(5) . . ?
C500 Ru3 S7 170.4(4) . . ?
S5 Ru3 S7 83.34(9) . . ?
S6 Ru3 S7 79.97(12) . . ?
C600 Ru3 S8 177.0(5) . . ?
C500 Ru3 S8 92.0(4) . . ?
S5 Ru3 S8 83.21(9) . . ?
S6 Ru3 S8 84.23(10) . . ?
S7 Ru3 S8 78.43(9) . . ?
C700 Ru4 C800 92.9(7) . . ?
C700 Ru4 S6 88.0(6) . . ?
C800 Ru4 S6 104.6(4) . . ?
C700 Ru4 S1 97.3(6) . 2_566 ?
C800 Ru4 S1 91.5(4) . 2_566 ?
S6 Ru4 S1 162.76(10) . 2_566 ?
C700 Ru4 S8 168.5(5) . . ?
C800 Ru4 S8 97.8(5) . . ?
S6 Ru4 S8 85.15(11) . . ?
S1 Ru4 S8 86.73(9) 2_566 . ?
C700 Ru4 S7 91.1(5) . . ?
C800 Ru4 S7 174.4(4) . . ?
S6 Ru4 S7 79.49(11) . . ?
S1 Ru4 S7 84.01(10) 2_566 . ?
S8 Ru4 S7 78.59(9) . . ?
Ag1 Ag1 S4 72.73(10) 2_566 2_566 ?
Ag1 Ag1 S1 137.12(13) 2_566 . ?
S4 Ag1 S1 145.15(10) 2_566 . ?
Ag1 Ag1 S4 62.52(10) 2_566 . ?
S4 Ag1 S4 135.25(8) 2_566 . ?
S1 Ag1 S4 77.16(9) . . ?
C1 S1 Ru1 108.9(6) . . ?
C1 S1 Ru4 103.3(6) . 2_566 ?
Ru1 S1 Ru4 124.36(12) . 2_566 ?
C1 S1 Ag1 115.7(5) . . ?
Ru1 S1 Ag1 100.49(9) . . ?
Ru4 S1 Ag1 104.76(10) 2_566 . ?
C2 C1 C6 120.1(11) . . ?
C2 C1 S1 121.4(10) . . ?
C6 C1 S1 118.4(9) . . ?
C1 C2 C3 120.0(13) . . ?
C4 C3 C2 121.4(13) . . ?
C3 C4 C5 118.0(11) . . ?
C3 C4 C7 122.2(11) . . ?
C5 C4 C7 119.8(12) . . ?
C6 C5 C4 120.0(13) . . ?
C5 C6 C1 120.2(13) . . ?
C10 C7 C8 116.4(18) . . ?
C10 C7 C4 112.9(13) . . ?
C8 C7 C4 107.6(13) . . ?
C10 C7 C9 103.9(16) . . ?
C8 C7 C9 109.4(18) . . ?
C4 C7 C9 106.1(12) . . ?
C11 S2 Ru1 117.4(6) . . ?
C11 S2 Ru2 115.8(7) . . ?
Ru1 S2 Ru2 84.49(10) . . ?
C12 C11 C16 118.3(12) . . ?
C12 C11 S2 122.4(11) . . ?
C16 C11 S2 117.9(11) . . ?
C11 C12 C13 122.3(13) . . ?
C12 C13 C14 119.2(13) . . ?
C13 C14 C15 118.2(13) . . ?
C13 C14 C17 121.5(12) . . ?
C15 C14 C17 120.0(12) . . ?
C16 C15 C14 120.4(13) . . ?
C11 C16 C15 119.6(14) . . ?
C20 C17 C18 117.2(16) . . ?
C20 C17 C14 109.5(16) . . ?
C18 C17 C14 110.3(13) . . ?
C20 C17 C19 104.0(15) . . ?
C18 C17 C19 106.1(17) . . ?
C14 C17 C19 109.4(13) . . ?
C21 S3 Ru1 116.4(9) . . ?
C21 S3 Ru2 117.5(8) . . ?
Ru1 S3 Ru2 84.44(9) . . ?
C22 C21 C26 125.6(16) . . ?
C22 C21 S3 116.3(17) . . ?
C26 C21 S3 117.4(17) . . ?
C21 C22 C23 119(2) . . ?
C24 C23 C22 122(2) . . ?
C23 C24 C25 118.6(16) . . ?
C23 C24 C27 121(2) . . ?
C25 C24 C27 120.3(19) . . ?
C26 C25 C24 120(2) . . ?
C25 C26 C21 114(2) . . ?
C30 C27 C28 106.7(5) . . ?
C30 C27 C30' 125(2) . . ?
C28 C27 C30' 58.9(16) . . ?
C30 C27 C29 106.4(5) . . ?
C28 C27 C29 106.3(5) . . ?
C30' C27 C29 48.0(16) . . ?
C30 C27 C29' 53.5(15) . . ?
C28 C27 C29' 146(2) . . ?
C30' C27 C29' 106.3(5) . . ?
C29 C27 C29' 62.4(16) . . ?
C30 C27 C28' 53.0(15) . . ?
C28 C27 C28' 57.3(15) . . ?
C30' C27 C28' 106.2(5) . . ?
C29 C27 C28' 135(2) . . ?
C29' C27 C28' 105.9(5) . . ?
C30 C27 C24 114.4(19) . . ?
C28 C27 C24 111(2) . . ?
C30' C27 C24 121(2) . . ?
C29 C27 C24 111.7(19) . . ?
C29' C27 C24 103(2) . . ?
C28' C27 C24 113(2) . . ?
C31 S4 Ru1 106.5(5) . . ?
C31 S4 Ru2 115.7(4) . . ?
Ru1 S4 Ru2 81.16(8) . . ?
C31 S4 Ag1 97.3(4) . 2_566 ?
Ru1 S4 Ag1 138.21(11) . 2_566 ?
Ru2 S4 Ag1 118.70(11) . 2_566 ?
C31 S4 Ag1 107.8(4) . . ?
Ru1 S4 Ag1 94.62(9) . . ?
Ru2 S4 Ag1 135.68(10) . . ?
C32 C31 C36 117.9(10) . . ?
C32 C31 S4 118.6(8) . . ?
C36 C31 S4 123.5(8) . . ?
C31 C32 C33 120.4(10) . . ?
C34 C33 C32 122.3(11) . . ?
C33 C34 C35 116.1(9) . . ?
C33 C34 C37 122.2(10) . . ?
C35 C34 C37 121.1(9) . . ?
C36 C35 C34 121.0(10) . . ?
C35 C36 C31 122.2(11) . . ?
C40 C37 C38 115.0(15) . . ?
C40 C37 C34 112.8(11) . . ?
C38 C37 C34 109.9(11) . . ?
C40 C37 C39 100.4(13) . . ?
C38 C37 C39 110.4(14) . . ?
C34 C37 C39 107.6(11) . . ?
C41 S5 Ru3 107.2(5) . . ?
C41 S5 Ru2 109.8(5) . . ?
Ru3 S5 Ru2 124.59(11) . . ?
C42 C41 C46 119.8(10) . . ?
C42 C41 S5 123.2(9) . . ?
C46 C41 S5 117.0(8) . . ?
C41 C42 C43 120.6(11) . . ?
C42 C43 C44 120.0(10) . . ?
C45 C44 C43 118.6(10) . . ?
C45 C44 C47 122.0(10) . . ?
C43 C44 C47 119.4(10) . . ?
C46 C45 C44 119.5(11) . . ?
C41 C46 C45 121.1(11) . . ?
C50 C47 C48 114.6(15) . . ?
C50 C47 C44 109.8(11) . . ?
C48 C47 C44 113.1(10) . . ?
C50 C47 C49 105.7(14) . . ?
C48 C47 C49 104.5(15) . . ?
C44 C47 C49 108.6(11) . . ?
C51 S6 Ru4 114.6(6) . . ?
C51 S6 Ru3 116.3(7) . . ?
Ru4 S6 Ru3 83.92(10) . . ?
C52 C51 C56 118.2(12) . . ?
C52 C51 S6 119.7(12) . . ?
C56 C51 S6 119.4(11) . . ?
C51 C52 C53 119.6(14) . . ?
C54 C53 C52 123.6(13) . . ?
C53 C54 C55 114.2(12) . . ?
C53 C54 C57 125.5(12) . . ?
C55 C54 C57 120.3(12) . . ?
C56 C55 C54 122.7(13) . . ?
C51 C56 C55 120.4(13) . . ?
C60 C57 C58 126.5(18) . . ?
C60 C57 C54 111.1(14) . . ?
C58 C57 C54 110.3(14) . . ?
C60 C57 C59 96.6(16) . . ?
C58 C57 C59 100.5(16) . . ?
C54 C57 C59 109.1(15) . . ?
C61 S7 Ru3 117.9(4) . . ?
C61 S7 Ru4 109.2(5) . . ?
Ru3 S7 Ru4 82.22(10) . . ?
C62 C61 C66 119.4(11) . . ?
C62 C61 S7 116.7(9) . . ?
C66 C61 S7 123.7(10) . . ?
C61 C62 C63 122.3(13) . . ?
C62 C63 C64 119.0(13) . . ?
C63 C64 C65 118.0(10) . . ?
C63 C64 C67 124.2(11) . . ?
C65 C64 C67 117.7(11) . . ?
C66 C65 C64 120.8(12) . . ?
C61 C66 C65 120.2(13) . . ?
C70 C67 C68 118.9(16) . . ?
C70 C67 C64 113.2(13) . . ?
C68 C67 C64 111.7(11) . . ?
C70 C67 C69 102.9(14) . . ?
C68 C67 C69 102.0(15) . . ?
C64 C67 C69 106.2(12) . . ?
C71 S8 Ru4 118.5(6) . . ?
C71 S8 Ru3 107.6(6) . . ?
Ru4 S8 Ru3 82.02(8) . . ?
C72 C71 C76 119.5(12) . . ?
C72 C71 S8 115.4(10) . . ?
C76 C71 S8 125.1(11) . . ?
C71 C72 C73 122.5(14) . . ?
C72 C73 C74 119.5(14) . . ?
C73 C74 C75 117.1(12) . . ?
C73 C74 C77 121.0(13) . . ?
C75 C74 C77 121.9(12) . . ?
C76 C75 C74 121.7(14) . . ?
C71 C76 C75 118.7(14) . . ?
C80 C77 C78 116.8(19) . . ?
C80 C77 C74 108.4(13) . . ?
C78 C77 C74 111.2(13) . . ?
C80 C77 C79 106.2(16) . . ?
C78 C77 C79 107.1(16) . . ?
C74 C77 C79 106.4(14) . . ?
O1 C100 Ru1 174.5(11) . . ?
O2 C200 Ru1 176.3(15) . . ?
O3 C300 Ru2 177.8(12) . . ?
O4 C400 Ru2 175.6(11) . . ?
O5 C500 Ru3 179.0(16) . . ?
O6 C600 Ru3 178.5(13) . . ?
O7 C700 Ru4 178.2(13) . . ?
O8 C800 Ru4 172.0(15) . . ?
Cl2S C1S Cl1S 105.0(4) . . ?
Cl2S C1S Cl3S 105.2(4) . . ?
Cl1S C1S Cl3S 105.0(4) . . ?
Cl2S C1S Cl4S 144.8(9) . . ?
Cl1S C1S Cl4S 109.6(9) . . ?
Cl1S C1S Cl5S 130.9(8) . . ?
Cl4S C1S Cl5S 101.1(4) . . ?
Cl2S C1S Cl6S 102.2(8) . . ?
Cl4S C1S Cl6S 101.2(4) . . ?
Cl5S C1S Cl6S 100.8(4) . . ?
Cl7S C2S Cl9S 105.2(9) . . ?
Cl7S C2S Cl8S 105.0(9) . . ?
Cl9S C2S Cl8S 104.8(10) . . ?
Cl12 C3S Cl11 104.9(4) . . ?
Cl12 C3S Cl10 104.9(4) . . ?
Cl11 C3S Cl10 105.3(4) . . ?
Cl15 C4S Cl13 105.7(4) . . ?
Cl15 C4S Cl14 104.8(4) . . ?
Cl13 C4S Cl14 105.4(4) . . ?

_diffrn_measured_fraction_theta_max 0.924
_diffrn_reflns_theta_full        66.37
_diffrn_measured_fraction_theta_full 0.924
_refine_diff_density_max         3.674
_refine_diff_density_min         -3.633
_refine_diff_density_rms         0.311
