# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

####################################################################### 
# 
# 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_hs215
_database_code_depnum_ccdc_archive 'CCDC 996068'
_audit_update_record             
;
2014-04-08 deposited with the CCDC.
2014-12-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_formula_moiety         '2(C27 H27 N Pt Ru S2), C4 H10 O'
_chemical_formula_sum            'C58 H64 N2 O Pt2 Ru2 S4'
_chemical_formula_weight         1525.67

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'
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'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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                   9.4042(3)
_cell_length_b                   32.3818(12)
_cell_length_c                   17.4083(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.707(2)
_cell_angle_gamma                90
_cell_volume                     5275.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(1)
_cell_measurement_reflns_used    8776
_cell_measurement_theta_min      2.90
_cell_measurement_theta_max      66.46

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_F_000             2968
_exptl_absorpt_coefficient_mu    16.044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4011
_exptl_absorpt_correction_T_max  0.5842
_exptl_absorpt_process_details   
; 
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;

_diffrn_ambient_temperature      200(1)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         micro-source
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            35960
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.893
_diffrn_reflns_theta_max         66.627
_diffrn_reflns_theta_full        66.500
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9289
_reflns_number_gt                7644
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0262P)²+1.5970P] 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_number_reflns         9289
_refine_ls_number_parameters     634
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0627
_refine_ls_wR_factor_gt          0.0592
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.79124(2) 0.28730(2) 0.72878(2) 0.03196(6) Uani 1 1 d . . . . .
Pt2 Pt 0.29529(2) 0.09785(2) 0.79163(2) 0.02963(6) Uani 1 1 d . . . . .
Ru1 Ru 1.22980(4) 0.36126(2) 0.70956(2) 0.02855(9) Uani 1 1 d . . . . .
Ru2 Ru 0.74624(4) 0.02801(2) 0.82831(2) 0.03592(10) Uani 1 1 d . . . . .
S1 S 0.90418(13) 0.33825(4) 0.80419(7) 0.0397(3) Uani 1 1 d . . . . .
S2 S 0.89725(13) 0.31220(4) 0.62502(7) 0.0393(3) Uani 1 1 d . . . . .
S3 S 0.39480(13) 0.04901(4) 0.71947(8) 0.0416(3) Uani 1 1 d . . . . .
S4 S 0.42096(13) 0.07109(4) 0.90149(7) 0.0393(3) Uani 1 1 d . . . . .
O1 O 0.5711(8) 0.0515(2) 0.4419(3) 0.121(2) Uani 1 1 d . . . . .
N1A N 0.6861(4) 0.26289(15) 0.8150(3) 0.0361(11) Uani 0.5 1 d . . P A 1
N2A N 0.1764(4) 0.12317(14) 0.7004(2) 0.0334(10) Uani 0.5 1 d . . P B 1
N1B N 0.6783(5) 0.24172(14) 0.6695(3) 0.0376(11) Uani 0.5 1 d . . P A 2
N2B N 0.1936(4) 0.14298(13) 0.8470(2) 0.0293(10) Uani 0.5 1 d . . P B 2
C1 C 0.9992(5) 0.36607(16) 0.7403(3) 0.0345(12) Uani 1 1 d . . . . .
C2 C 0.9954(5) 0.35518(16) 0.6609(3) 0.0333(11) Uani 1 1 d . . . . .
C3 C 1.0738(5) 0.37913(16) 0.6115(3) 0.0365(12) Uani 1 1 d . . . . .
H3 H 1.0746 0.3713 0.5589 0.044 Uiso 1 1 calc R U . . .
C4 C 1.1502(5) 0.41425(16) 0.6391(3) 0.0414(13) Uani 1 1 d . . . . .
H4 H 1.1988 0.4306 0.6046 0.050 Uiso 1 1 calc R U . . .
C5 C 1.1555(5) 0.42548(16) 0.7172(3) 0.0388(12) Uani 1 1 d . . . . .
H5 H 1.2067 0.4493 0.7358 0.047 Uiso 1 1 calc R U . . .
C6 C 1.0829(5) 0.40062(16) 0.7678(3) 0.0384(12) Uani 1 1 d . . . . .
H6 H 1.0903 0.4072 0.8212 0.046 Uiso 1 1 calc R U . . .
C7A C 0.6783(5) 0.24172(14) 0.6695(3) 0.0376(11) Uani 0.5 1 d . . P A 1
C7B C 0.6861(4) 0.26289(15) 0.8150(3) 0.0361(11) Uani 0.5 1 d . . P A 2
C8 C 0.6806(5) 0.23162(16) 0.5925(3) 0.0418(13) Uani 1 1 d . . . . .
H8 H 0.7446 0.2459 0.5629 0.050 Uiso 1 1 calc R U . A 1
C9 C 0.5935(6) 0.20163(17) 0.5571(4) 0.0510(15) Uani 1 1 d . . . . .
H9 H 0.5975 0.1954 0.5041 0.061 Uiso 1 1 calc R U . . .
C10 C 0.5003(6) 0.18074(18) 0.5998(4) 0.0560(16) Uani 1 1 d . . . . .
H10 H 0.4380 0.1604 0.5757 0.067 Uiso 1 1 calc R U . . .
C11 C 0.4974(6) 0.18933(17) 0.6769(4) 0.0495(15) Uani 1 1 d . . . . .
H11 H 0.4342 0.1746 0.7062 0.059 Uiso 1 1 calc R U . . .
C12 C 0.5876(5) 0.21979(15) 0.7124(3) 0.0395(13) Uani 1 1 d . . . . .
C13 C 0.5946(5) 0.23104(16) 0.7938(3) 0.0390(13) Uani 1 1 d . . . . .
C14 C 0.5183(6) 0.21106(18) 0.8482(4) 0.0517(16) Uani 1 1 d . . . . .
H14 H 0.4554 0.1889 0.8328 0.062 Uiso 1 1 calc R U . . .
C15 C 0.5349(6) 0.2236(2) 0.9239(4) 0.0573(17) Uani 1 1 d . . . . .
H15 H 0.4845 0.2101 0.9614 0.069 Uiso 1 1 calc R U . . .
C16 C 0.6251(6) 0.2561(2) 0.9450(3) 0.0533(16) Uani 1 1 d . . . . .
H16 H 0.6357 0.2652 0.9971 0.064 Uiso 1 1 calc R U . . .
C17 C 0.7005(5) 0.27543(18) 0.8912(3) 0.0429(13) Uani 1 1 d . . . . .
H17 H 0.7629 0.2976 0.9067 0.051 Uiso 1 1 calc R U . A 1
C18 C 1.3442(5) 0.3216(2) 0.7950(3) 0.0473(15) Uani 1 1 d . . . . .
C19 C 1.2937(7) 0.3126(3) 0.8729(4) 0.092(3) Uani 1 1 d . . . . .
H19A H 1.3537 0.2909 0.8988 0.138 Uiso 1 1 calc R U . . .
H19B H 1.1942 0.3032 0.8661 0.138 Uiso 1 1 calc R U . . .
H19C H 1.3004 0.3377 0.9045 0.138 Uiso 1 1 calc R U . . .
C20 C 1.3059(5) 0.29802(15) 0.7273(3) 0.0378(12) Uani 1 1 d . . . . .
C21 C 1.2125(6) 0.26071(18) 0.7215(4) 0.070(2) Uani 1 1 d . . . . .
H21A H 1.2646 0.2372 0.7462 0.104 Uiso 1 1 calc R U . . .
H21B H 1.1849 0.2543 0.6671 0.104 Uiso 1 1 calc R U . . .
H21C H 1.1266 0.2660 0.7476 0.104 Uiso 1 1 calc R U . . .
C22 C 1.3738(5) 0.31616(15) 0.6655(3) 0.0323(11) Uani 1 1 d . . . . .
C23 C 1.3601(6) 0.3006(2) 0.5838(3) 0.0575(17) Uani 1 1 d . . . . .
H23A H 1.3828 0.3229 0.5491 0.086 Uiso 1 1 calc R U . . .
H23B H 1.2620 0.2911 0.5697 0.086 Uiso 1 1 calc R U . . .
H23C H 1.4265 0.2776 0.5794 0.086 Uiso 1 1 calc R U . . .
C24 C 1.4536(5) 0.35078(15) 0.6953(3) 0.0327(11) Uani 1 1 d . . . . .
C25 C 1.5476(5) 0.37744(18) 0.6528(4) 0.0586(17) Uani 1 1 d . . . . .
H25A H 1.6463 0.3675 0.6616 0.088 Uiso 1 1 calc R U . . .
H25B H 1.5427 0.4059 0.6714 0.088 Uiso 1 1 calc R U . . .
H25C H 1.5159 0.3765 0.5975 0.088 Uiso 1 1 calc R U . . .
C26 C 1.4361(5) 0.35382(18) 0.7754(3) 0.0467(14) Uani 1 1 d . . . . .
C27 C 1.5129(7) 0.3844(2) 0.8312(4) 0.083(2) Uani 1 1 d . . . . .
H27A H 1.4574 0.3885 0.8754 0.125 Uiso 1 1 calc R U . . .
H27B H 1.5231 0.4108 0.8049 0.125 Uiso 1 1 calc R U . . .
H27C H 1.6077 0.3736 0.8494 0.125 Uiso 1 1 calc R U . . .
C28 C 0.5077(5) 0.02124(15) 0.7865(3) 0.0371(12) Uani 1 1 d . . . . .
C29 C 0.5190(5) 0.03048(16) 0.8672(3) 0.0384(12) Uani 1 1 d . . . . .
C30 C 0.6108(5) 0.00625(17) 0.9179(3) 0.0448(14) Uani 1 1 d . . . . .
H30 H 0.6213 0.0127 0.9714 0.054 Uiso 1 1 calc R U . . .
C31 C 0.6874(5) -0.02735(17) 0.8909(4) 0.0529(17) Uani 1 1 d . . . . .
H31 H 0.7466 -0.0437 0.9263 0.063 Uiso 1 1 calc R U . . .
C32 C 0.6762(5) -0.03668(16) 0.8118(4) 0.0529(16) Uani 1 1 d . . . . .
H32 H 0.7259 -0.0597 0.7938 0.063 Uiso 1 1 calc R U . . .
C33 C 0.5911(5) -0.01175(15) 0.7595(4) 0.0445(14) Uani 1 1 d . . . . .
H33 H 0.5889 -0.0168 0.7057 0.053 Uiso 1 1 calc R U . . .
C34A C 0.1936(4) 0.14298(13) 0.8470(2) 0.0293(10) Uani 0.5 1 d . . P B 1
C34B C 0.1764(4) 0.12317(14) 0.7004(2) 0.0334(10) Uani 0.5 1 d . . P B 2
C35 C 0.2121(5) 0.15188(16) 0.9246(3) 0.0379(12) Uani 1 1 d . . . . .
H35 H 0.2778 0.1361 0.9575 0.046 Uiso 1 1 calc R U . B 1
C36 C 0.1376(5) 0.18308(17) 0.9553(3) 0.0416(13) Uani 1 1 d . . . . .
H36 H 0.1536 0.1890 1.0089 0.050 Uiso 1 1 calc R U . . .
C37 C 0.0388(5) 0.20619(17) 0.9088(3) 0.0431(13) Uani 1 1 d . . . . .
H37 H -0.0144 0.2274 0.9304 0.052 Uiso 1 1 calc R U . . .
C38 C 0.0191(5) 0.19783(16) 0.8310(3) 0.0378(12) Uani 1 1 d . . . . .
H38 H -0.0469 0.2136 0.7981 0.045 Uiso 1 1 calc R U . . .
C39 C 0.0969(5) 0.16594(15) 0.8005(3) 0.0330(11) Uani 1 1 d . . . . .
C40 C 0.0871(5) 0.15557(16) 0.7184(3) 0.0333(11) Uani 1 1 d . . . . .
C41 C 0.0002(5) 0.17569(17) 0.6611(3) 0.0408(13) Uani 1 1 d . . . . .
H41 H -0.0593 0.1977 0.6746 0.049 Uiso 1 1 calc R U . . .
C42 C -0.0007(6) 0.16419(19) 0.5853(3) 0.0506(15) Uani 1 1 d . . . . .
H42 H -0.0610 0.1778 0.5463 0.061 Uiso 1 1 calc R U . . .
C43 C 0.0872(6) 0.1326(2) 0.5667(3) 0.0533(16) Uani 1 1 d . . . . .
H43 H 0.0883 0.1245 0.5143 0.064 Uiso 1 1 calc R U . . .
C44 C 0.1737(6) 0.11239(18) 0.6235(3) 0.0436(13) Uani 1 1 d . . . . .
H44 H 0.2330 0.0905 0.6093 0.052 Uiso 1 1 calc R U . B 1
C45 C 0.8206(7) 0.0790(2) 0.7625(5) 0.072(2) Uani 1 1 d . . . . .
C46 C 0.7334(9) 0.1006(3) 0.6970(6) 0.184(7) Uani 1 1 d . . . . .
H46A H 0.6452 0.1113 0.7151 0.275 Uiso 1 1 calc R U . . .
H46B H 0.7097 0.0810 0.6547 0.275 Uiso 1 1 calc R U . . .
H46C H 0.7889 0.1235 0.6785 0.275 Uiso 1 1 calc R U . . .
C47 C 0.8280(6) 0.09046(17) 0.8404(5) 0.065(2) Uani 1 1 d . . . . .
C48 C 0.7511(8) 0.1258(2) 0.8733(7) 0.163(6) Uani 1 1 d . . . . .
H48A H 0.7841 0.1519 0.8525 0.245 Uiso 1 1 calc R U . . .
H48B H 0.7709 0.1259 0.9296 0.245 Uiso 1 1 calc R U . . .
H48C H 0.6481 0.1229 0.8593 0.245 Uiso 1 1 calc R U . . .
C49 C 0.9258(6) 0.06328(19) 0.8826(3) 0.0497(15) Uani 1 1 d . . . . .
C50 C 0.9745(9) 0.0660(3) 0.9673(4) 0.125(4) Uani 1 1 d . . . . .
H50A H 0.9958 0.0382 0.9876 0.187 Uiso 1 1 calc R U . . .
H50B H 0.8988 0.0784 0.9945 0.187 Uiso 1 1 calc R U . . .
H50C H 1.0607 0.0831 0.9749 0.187 Uiso 1 1 calc R U . . .
C51 C 0.9761(5) 0.03545(18) 0.8300(4) 0.0465(14) Uani 1 1 d . . . . .
C52 C 1.0846(6) 0.0022(2) 0.8478(6) 0.101(3) Uani 1 1 d . . . . .
H52A H 1.1786 0.0121 0.8361 0.151 Uiso 1 1 calc R U . . .
H52B H 1.0580 -0.0222 0.8163 0.151 Uiso 1 1 calc R U . . .
H52C H 1.0885 -0.0051 0.9026 0.151 Uiso 1 1 calc R U . . .
C53 C 0.9116(7) 0.0452(2) 0.7552(3) 0.0577(18) Uani 1 1 d . . . . .
C54 C 0.9445(10) 0.0239(3) 0.6824(5) 0.144(5) Uani 1 1 d . . . . .
H54A H 0.8637 0.0273 0.6428 0.216 Uiso 1 1 calc R U . . .
H54B H 0.9609 -0.0055 0.6928 0.216 Uiso 1 1 calc R U . . .
H54C H 1.0303 0.0362 0.6642 0.216 Uiso 1 1 calc R U . . .
C55 C 0.4589(14) 0.0672(5) 0.4822(6) 0.233(9) Uani 1 1 d . . . . .
H55A H 0.4790 0.0965 0.4959 0.280 Uiso 1 1 calc R U . . .
H55B H 0.4549 0.0515 0.5306 0.280 Uiso 1 1 calc R U . . .
C56 C 0.3246(11) 0.0645(4) 0.4373(6) 0.143(5) Uani 1 1 d . . . . .
H56A H 0.3300 0.0786 0.3878 0.215 Uiso 1 1 calc R U . . .
H56B H 0.2511 0.0777 0.4651 0.215 Uiso 1 1 calc R U . . .
H56C H 0.2999 0.0354 0.4280 0.215 Uiso 1 1 calc R U . . .
C57 C 0.6994(16) 0.0492(6) 0.4795(7) 0.292(13) Uani 1 1 d . . . . .
H57A H 0.6923 0.0326 0.5267 0.350 Uiso 1 1 calc R U . . .
H57B H 0.7288 0.0774 0.4963 0.350 Uiso 1 1 calc R U . . .
C58 C 0.8127(11) 0.0316(4) 0.4382(7) 0.158(5) Uani 1 1 d . . . . .
H58A H 0.7949 0.0020 0.4298 0.237 Uiso 1 1 calc R U . . .
H58B H 0.9050 0.0354 0.4688 0.237 Uiso 1 1 calc R U . . .
H58C H 0.8143 0.0455 0.3883 0.237 Uiso 1 1 calc R U . . .


_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
Pt1 N1A 2.038(4) . ?
Pt1 N1B 2.038(5) . ?
Pt1 S2 2.2946(13) . ?
Pt1 S1 2.3014(14) . ?
Pt2 N2A 2.022(4) . ?
Pt2 N2B 2.040(4) . ?
Pt2 S3 2.2778(13) . ?
Pt2 S4 2.3142(13) . ?
Ru1 C26 2.166(5) . ?
Ru1 C18 2.167(5) . ?
Ru1 C24 2.170(4) . ?
Ru1 C20 2.181(5) . ?
Ru1 C22 2.182(4) . ?
Ru1 C4 2.197(5) . ?
Ru1 C6 2.199(5) . ?
Ru1 C5 2.202(5) . ?
Ru1 C3 2.215(5) . ?
Ru1 C2 2.290(4) . ?
Ru1 C1 2.290(4) . ?
Ru2 C45 2.164(6) . ?
Ru2 C47 2.166(5) . ?
Ru2 C51 2.172(5) . ?
Ru2 C49 2.175(5) . ?
Ru2 C53 2.177(5) . ?
Ru2 C31 2.197(5) . ?
Ru2 C32 2.206(5) . ?
Ru2 C33 2.207(5) . ?
Ru2 C30 2.224(5) . ?
Ru2 C28 2.299(5) . ?
Ru2 C29 2.306(5) . ?
S1 C1 1.744(5) . ?
S2 C2 1.751(5) . ?
S3 C28 1.747(5) . ?
S4 C29 1.745(5) . ?
O1 C57 1.317(12) . ?
O1 C55 1.419(10) . ?
N1A C13 1.370(7) . ?
N1A C17 1.380(7) . ?
N2A C44 1.383(6) . ?
N2A C40 1.398(6) . ?
N1B C8 1.382(7) . ?
N1B C12 1.385(6) . ?
N2B C39 1.374(6) . ?
N2B C35 1.375(6) . ?
C1 C6 1.423(7) . ?
C1 C2 1.424(6) . ?
C2 C3 1.419(6) . ?
C3 C4 1.405(7) . ?
C4 C5 1.403(7) . ?
C5 C6 1.418(7) . ?
C8 C9 1.376(7) . ?
C9 C10 1.381(8) . ?
C10 C11 1.374(8) . ?
C11 C12 1.404(7) . ?
C12 C13 1.457(7) . ?
C13 C14 1.403(7) . ?
C14 C15 1.373(8) . ?
C15 C16 1.377(8) . ?
C16 C17 1.380(7) . ?
C18 C26 1.417(8) . ?
C18 C20 1.421(8) . ?
C18 C19 1.510(7) . ?
C20 C22 1.431(6) . ?
C20 C21 1.491(7) . ?
C22 C24 1.418(7) . ?
C22 C23 1.502(7) . ?
C24 C26 1.422(7) . ?
C24 C25 1.485(7) . ?
C26 C27 1.519(8) . ?
C28 C29 1.430(7) . ?
C28 C33 1.432(7) . ?
C29 C30 1.410(7) . ?
C30 C31 1.411(8) . ?
C31 C32 1.403(8) . ?
C32 C33 1.406(8) . ?
C35 C36 1.368(7) . ?
C36 C37 1.389(7) . ?
C37 C38 1.376(7) . ?
C38 C39 1.400(7) . ?
C39 C40 1.463(6) . ?
C40 C41 1.387(7) . ?
C41 C42 1.371(7) . ?
C42 C43 1.375(8) . ?
C43 C44 1.381(7) . ?
C45 C47 1.400(10) . ?
C45 C53 1.402(9) . ?
C45 C46 1.510(9) . ?
C47 C49 1.423(9) . ?
C47 C48 1.499(8) . ?
C49 C51 1.400(8) . ?
C49 C50 1.502(8) . ?
C51 C53 1.415(8) . ?
C51 C52 1.495(8) . ?
C53 C54 1.502(9) . ?
C55 C56 1.421(13) . ?
C57 C58 1.459(14) . ?

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
N1A Pt1 S2 175.58(14) . . ?
N1B Pt1 S2 95.82(13) . . ?
N1A Pt1 S1 95.05(15) . . ?
N1B Pt1 S1 174.72(13) . . ?
S2 Pt1 S1 89.14(5) . . ?
N2A Pt2 S3 94.25(13) . . ?
N2B Pt2 S3 174.52(12) . . ?
N2A Pt2 S4 176.03(13) . . ?
N2B Pt2 S4 95.88(12) . . ?
S3 Pt2 S4 89.52(5) . . ?
C26 Ru1 C18 38.2(2) . . ?
C26 Ru1 C24 38.30(19) . . ?
C18 Ru1 C24 64.20(19) . . ?
C26 Ru1 C20 63.7(2) . . ?
C18 Ru1 C20 38.1(2) . . ?
C24 Ru1 C20 63.96(18) . . ?
C26 Ru1 C22 63.70(19) . . ?
C18 Ru1 C22 64.02(19) . . ?
C24 Ru1 C22 38.03(17) . . ?
C20 Ru1 C22 38.28(17) . . ?
C26 Ru1 C4 128.3(2) . . ?
C18 Ru1 C4 164.5(2) . . ?
C24 Ru1 C4 109.81(18) . . ?
C20 Ru1 C4 154.3(2) . . ?
C22 Ru1 C4 121.03(19) . . ?
C26 Ru1 C6 113.0(2) . . ?
C18 Ru1 C6 108.58(19) . . ?
C24 Ru1 C6 143.50(19) . . ?
C20 Ru1 C6 133.72(19) . . ?
C22 Ru1 C6 171.85(19) . . ?
C4 Ru1 C6 67.03(19) . . ?
C26 Ru1 C5 110.3(2) . . ?
C18 Ru1 C5 131.1(2) . . ?
C24 Ru1 C5 118.16(18) . . ?
C20 Ru1 C5 168.5(2) . . ?
C22 Ru1 C5 149.88(18) . . ?
C4 Ru1 C5 37.19(18) . . ?
C6 Ru1 C5 37.57(18) . . ?
C26 Ru1 C3 157.9(2) . . ?
C18 Ru1 C3 158.3(2) . . ?
C24 Ru1 C3 121.90(18) . . ?
C20 Ru1 C3 122.5(2) . . ?
C22 Ru1 C3 106.89(18) . . ?
C4 Ru1 C3 37.13(19) . . ?
C6 Ru1 C3 78.79(19) . . ?
C5 Ru1 C3 67.0(2) . . ?
C26 Ru1 C2 164.7(2) . . ?
C18 Ru1 C2 126.6(2) . . ?
C24 Ru1 C2 148.56(19) . . ?
C20 Ru1 C2 105.18(18) . . ?
C22 Ru1 C2 114.88(18) . . ?
C4 Ru1 C2 66.35(18) . . ?
C6 Ru1 C2 66.08(18) . . ?
C5 Ru1 C2 78.68(18) . . ?
C3 Ru1 C2 36.66(16) . . ?
C26 Ru1 C1 134.7(2) . . ?
C18 Ru1 C1 107.26(19) . . ?
C24 Ru1 C1 171.46(18) . . ?
C20 Ru1 C1 109.62(18) . . ?
C22 Ru1 C1 139.73(18) . . ?
C4 Ru1 C1 78.44(18) . . ?
C6 Ru1 C1 36.88(17) . . ?
C5 Ru1 C1 66.93(18) . . ?
C3 Ru1 C1 65.96(17) . . ?
C2 Ru1 C1 36.22(16) . . ?
C45 Ru2 C47 37.7(3) . . ?
C45 Ru2 C51 63.2(2) . . ?
C47 Ru2 C51 63.4(2) . . ?
C45 Ru2 C49 63.4(2) . . ?
C47 Ru2 C49 38.3(2) . . ?
C51 Ru2 C49 37.6(2) . . ?
C45 Ru2 C53 37.7(3) . . ?
C47 Ru2 C53 63.3(2) . . ?
C51 Ru2 C53 38.0(2) . . ?
C49 Ru2 C53 63.3(2) . . ?
C45 Ru2 C31 174.4(3) . . ?
C47 Ru2 C31 144.9(3) . . ?
C51 Ru2 C31 112.5(2) . . ?
C49 Ru2 C31 115.9(2) . . ?
C53 Ru2 C31 136.8(3) . . ?
C45 Ru2 C32 139.8(3) . . ?
C47 Ru2 C32 176.0(2) . . ?
C51 Ru2 C32 113.0(2) . . ?
C49 Ru2 C32 139.8(2) . . ?
C53 Ru2 C32 112.9(2) . . ?
C31 Ru2 C32 37.1(2) . . ?
C45 Ru2 C33 112.9(3) . . ?
C47 Ru2 C33 143.7(3) . . ?
C51 Ru2 C33 132.5(2) . . ?
C49 Ru2 C33 169.9(2) . . ?
C53 Ru2 C33 107.7(2) . . ?
C31 Ru2 C33 66.9(2) . . ?
C32 Ru2 C33 37.2(2) . . ?
C45 Ru2 C30 148.2(3) . . ?
C47 Ru2 C30 116.8(3) . . ?
C51 Ru2 C30 131.6(2) . . ?
C49 Ru2 C30 109.6(2) . . ?
C53 Ru2 C30 169.4(2) . . ?
C31 Ru2 C30 37.2(2) . . ?
C32 Ru2 C30 66.8(2) . . ?
C33 Ru2 C30 78.6(2) . . ?
C45 Ru2 C28 105.2(2) . . ?
C47 Ru2 C28 116.5(2) . . ?
C51 Ru2 C28 162.4(2) . . ?
C49 Ru2 C28 151.5(2) . . ?
C53 Ru2 C28 124.8(2) . . ?
C31 Ru2 C28 78.06(19) . . ?
C32 Ru2 C28 66.36(19) . . ?
C33 Ru2 C28 36.98(17) . . ?
C30 Ru2 C28 65.36(19) . . ?
C45 Ru2 C29 119.1(2) . . ?
C47 Ru2 C29 105.6(2) . . ?
C51 Ru2 C29 160.4(2) . . ?
C49 Ru2 C29 123.8(2) . . ?
C53 Ru2 C29 154.0(2) . . ?
C31 Ru2 C29 66.19(19) . . ?
C32 Ru2 C29 78.33(19) . . ?
C33 Ru2 C29 66.27(19) . . ?
C30 Ru2 C29 36.22(17) . . ?
C28 Ru2 C29 36.17(18) . . ?
C1 S1 Pt1 104.09(18) . . ?
C2 S2 Pt1 104.67(16) . . ?
C28 S3 Pt2 104.18(18) . . ?
C29 S4 Pt2 104.06(18) . . ?
C57 O1 C55 117.6(10) . . ?
C13 N1A C17 118.7(4) . . ?
C13 N1A Pt1 115.5(4) . . ?
C17 N1A Pt1 125.8(4) . . ?
C44 N2A C40 116.9(4) . . ?
C44 N2A Pt2 127.9(4) . . ?
C40 N2A Pt2 115.2(3) . . ?
C8 N1B C12 118.2(5) . . ?
C8 N1B Pt1 127.2(4) . . ?
C12 N1B Pt1 114.6(4) . . ?
C39 N2B C35 118.5(4) . . ?
C39 N2B Pt2 115.0(3) . . ?
C35 N2B Pt2 126.5(3) . . ?
C6 C1 C2 118.7(5) . . ?
C6 C1 S1 119.6(4) . . ?
C2 C1 S1 121.7(4) . . ?
C6 C1 Ru1 68.1(3) . . ?
C2 C1 Ru1 71.9(3) . . ?
S1 C1 Ru1 132.1(3) . . ?
C3 C2 C1 119.3(5) . . ?
C3 C2 S2 120.3(4) . . ?
C1 C2 S2 120.3(4) . . ?
C3 C2 Ru1 68.8(3) . . ?
C1 C2 Ru1 71.9(3) . . ?
S2 C2 Ru1 130.9(3) . . ?
C4 C3 C2 120.9(5) . . ?
C4 C3 Ru1 70.7(3) . . ?
C2 C3 Ru1 74.6(3) . . ?
C5 C4 C3 120.6(5) . . ?
C5 C4 Ru1 71.6(3) . . ?
C3 C4 Ru1 72.1(3) . . ?
C4 C5 C6 118.8(5) . . ?
C4 C5 Ru1 71.2(3) . . ?
C6 C5 Ru1 71.1(3) . . ?
C5 C6 C1 121.5(5) . . ?
C5 C6 Ru1 71.3(3) . . ?
C1 C6 Ru1 75.0(3) . . ?
C9 C8 N1B 122.3(5) . . ?
C8 C9 C10 119.1(6) . . ?
C11 C10 C9 120.1(6) . . ?
C10 C11 C12 120.2(5) . . ?
N1B C12 C11 120.0(5) . . ?
N1B C12 C13 115.2(5) . . ?
C11 C12 C13 124.8(5) . . ?
N1A C13 C14 121.0(5) . . ?
N1A C13 C12 114.7(4) . . ?
C14 C13 C12 124.4(5) . . ?
C15 C14 C13 119.7(6) . . ?
C14 C15 C16 119.4(5) . . ?
C15 C16 C17 120.7(6) . . ?
N1A C17 C16 120.7(6) . . ?
C26 C18 C20 107.8(5) . . ?
C26 C18 C19 127.9(6) . . ?
C20 C18 C19 124.3(6) . . ?
C26 C18 Ru1 70.9(3) . . ?
C20 C18 Ru1 71.5(3) . . ?
C19 C18 Ru1 123.6(4) . . ?
C18 C20 C22 107.9(5) . . ?
C18 C20 C21 126.2(5) . . ?
C22 C20 C21 125.9(5) . . ?
C18 C20 Ru1 70.4(3) . . ?
C22 C20 Ru1 70.9(3) . . ?
C21 C20 Ru1 124.6(4) . . ?
C24 C22 C20 108.0(4) . . ?
C24 C22 C23 127.2(5) . . ?
C20 C22 C23 124.8(5) . . ?
C24 C22 Ru1 70.5(3) . . ?
C20 C22 Ru1 70.8(3) . . ?
C23 C22 Ru1 124.0(3) . . ?
C22 C24 C26 107.8(4) . . ?
C22 C24 C25 126.6(5) . . ?
C26 C24 C25 125.5(5) . . ?
C22 C24 Ru1 71.5(2) . . ?
C26 C24 Ru1 70.7(3) . . ?
C25 C24 Ru1 126.8(3) . . ?
C18 C26 C24 108.5(5) . . ?
C18 C26 C27 126.0(6) . . ?
C24 C26 C27 125.3(6) . . ?
C18 C26 Ru1 70.9(3) . . ?
C24 C26 Ru1 71.0(3) . . ?
C27 C26 Ru1 127.6(4) . . ?
C29 C28 C33 119.3(5) . . ?
C29 C28 S3 122.0(4) . . ?
C33 C28 S3 118.8(4) . . ?
C29 C28 Ru2 72.2(3) . . ?
C33 C28 Ru2 68.0(3) . . ?
S3 C28 Ru2 132.2(3) . . ?
C30 C29 C28 118.7(5) . . ?
C30 C29 S4 121.1(4) . . ?
C28 C29 S4 120.3(4) . . ?
C30 C29 Ru2 68.7(3) . . ?
C28 C29 Ru2 71.6(3) . . ?
S4 C29 Ru2 131.5(3) . . ?
C29 C30 C31 121.4(6) . . ?
C29 C30 Ru2 75.1(3) . . ?
C31 C30 Ru2 70.4(3) . . ?
C32 C31 C30 120.1(5) . . ?
C32 C31 Ru2 71.8(3) . . ?
C30 C31 Ru2 72.4(3) . . ?
C31 C32 C33 119.6(5) . . ?
C31 C32 Ru2 71.1(3) . . ?
C33 C32 Ru2 71.5(3) . . ?
C32 C33 C28 120.7(6) . . ?
C32 C33 Ru2 71.4(3) . . ?
C28 C33 Ru2 75.0(3) . . ?
C36 C35 N2B 121.3(5) . . ?
C35 C36 C37 120.6(5) . . ?
C38 C37 C36 119.0(5) . . ?
C37 C38 C39 119.6(5) . . ?
N2B C39 C38 121.1(4) . . ?
N2B C39 C40 115.2(4) . . ?
C38 C39 C40 123.7(5) . . ?
C41 C40 N2A 121.1(5) . . ?
C41 C40 C39 124.7(5) . . ?
N2A C40 C39 114.2(4) . . ?
C42 C41 C40 120.7(5) . . ?
C41 C42 C43 118.9(5) . . ?
C42 C43 C44 120.6(5) . . ?
C43 C44 N2A 121.8(5) . . ?
C47 C45 C53 108.8(6) . . ?
C47 C45 C46 125.4(9) . . ?
C53 C45 C46 125.7(9) . . ?
C47 C45 Ru2 71.2(4) . . ?
C53 C45 Ru2 71.7(3) . . ?
C46 C45 Ru2 125.1(4) . . ?
C45 C47 C49 107.6(5) . . ?
C45 C47 C48 126.4(8) . . ?
C49 C47 C48 125.9(8) . . ?
C45 C47 Ru2 71.0(4) . . ?
C49 C47 Ru2 71.2(3) . . ?
C48 C47 Ru2 124.8(4) . . ?
C51 C49 C47 107.6(5) . . ?
C51 C49 C50 126.1(7) . . ?
C47 C49 C50 126.1(7) . . ?
C51 C49 Ru2 71.1(3) . . ?
C47 C49 Ru2 70.5(3) . . ?
C50 C49 Ru2 127.2(4) . . ?
C49 C51 C53 108.4(5) . . ?
C49 C51 C52 126.6(7) . . ?
C53 C51 C52 125.0(7) . . ?
C49 C51 Ru2 71.3(3) . . ?
C53 C51 Ru2 71.2(3) . . ?
C52 C51 Ru2 125.5(4) . . ?
C45 C53 C51 107.5(6) . . ?
C45 C53 C54 127.8(8) . . ?
C51 C53 C54 124.6(8) . . ?
C45 C53 Ru2 70.7(3) . . ?
C51 C53 Ru2 70.8(3) . . ?
C54 C53 Ru2 126.5(4) . . ?
O1 C55 C56 111.7(9) . . ?
O1 C57 C58 117.0(11) . . ?

_refine_diff_density_max         1.025
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.106
####################################################################### 
# 
# 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_hs223a
_database_code_depnum_ccdc_archive 'CCDC 996069'
_audit_update_record             
;
2014-04-08 deposited with the CCDC.
2014-12-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_formula_moiety         'C27 H25 F2 N Pt Ru S2'
_chemical_formula_sum            'C27 H25 F2 N Pt Ru S2'
_chemical_formula_weight         761.76

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.9705(2)
_cell_length_b                   12.8005(3)
_cell_length_c                   23.7135(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.8710(10)
_cell_angle_gamma                90
_cell_volume                     2402.03(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(1)
_cell_measurement_reflns_used    9960
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      30.51

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.106
_exptl_crystal_F_000             1464
_exptl_absorpt_coefficient_mu    6.653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3422
_exptl_absorpt_correction_T_max  0.5644
_exptl_absorpt_process_details   
; 
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;

_diffrn_ambient_temperature      200(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            37344
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.730
_diffrn_reflns_theta_max         30.558
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7358
_reflns_number_gt                6912
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0203P)²+12.8435P] 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_number_reflns         7358
_refine_ls_number_parameters     330
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0849
_refine_ls_wR_factor_gt          0.0759
_refine_ls_goodness_of_fit_ref   1.289
_refine_ls_restrained_S_all      1.289
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.52993(2) 0.21121(2) 0.12055(2) 0.02654(5) Uani 1 1 d . . . . .
Ru1 Ru 0.77703(4) 0.26487(3) -0.05293(2) 0.01845(7) Uani 1 1 d . . . . .
S1 S 0.77686(17) 0.15290(11) 0.08886(5) 0.0317(3) Uani 1 1 d . . . . .
S2 S 0.53362(18) 0.35212(11) 0.06268(6) 0.0363(3) Uani 1 1 d . . . . .
F1A F -0.0158(7) 0.4413(4) 0.1475(2) 0.0458(13) Uani 0.67 1 d . . P A 1
F2A F 0.0472(7) 0.1235(5) 0.2441(3) 0.0556(16) Uani 0.67 1 d . . P B 1
F1B F 0.6777(16) -0.1452(9) 0.2243(5) 0.049(3) Uani 0.33 1 d . . P C 2
F2B F 0.1902(15) 0.0242(11) 0.2683(5) 0.055(3) Uani 0.33 1 d . . P D 2
N1A N 0.5101(6) 0.0882(4) 0.17466(16) 0.0282(9) Uani 0.67 1 d . . P E 1
N1B N 0.3119(6) 0.2535(4) 0.15096(18) 0.0296(9) Uani 0.33 1 d . . P E 2
C1 C 0.8282(6) 0.2525(4) 0.04379(18) 0.0252(9) Uani 1 1 d . . . F 2
C2 C 0.7185(6) 0.3397(4) 0.0311(2) 0.0269(9) Uani 1 1 d . . . F 2
C3 C 0.7602(7) 0.4156(4) -0.0090(2) 0.0290(9) Uani 1 1 d . . . F 2
H3 H 0.6829 0.4705 -0.0199 0.035 Uiso 1 1 calc R U . F 2
C4 C 0.9149(7) 0.4107(4) -0.0329(2) 0.0312(10) Uani 1 1 d . . . F 2
H4 H 0.9432 0.4634 -0.0583 0.037 Uiso 1 1 calc R U . F 2
C5 C 1.0265(6) 0.3264(4) -0.0184(2) 0.0303(10) Uani 1 1 d . . . F 2
H5 H 1.1318 0.3232 -0.0333 0.036 Uiso 1 1 calc R U . F 2
C6 C 0.9811(6) 0.2470(4) 0.0182(2) 0.0276(9) Uani 1 1 d . . . F 2
H6 H 1.0540 0.1888 0.0260 0.033 Uiso 1 1 calc R U . F 2
C7A C 0.3119(6) 0.2535(4) 0.15096(18) 0.0296(9) Uani 0.67 1 d . . P E 1
C7B C 0.5101(6) 0.0882(4) 0.17466(16) 0.0282(9) Uani 0.33 1 d . . P E 2
C8 C 0.2195(7) 0.3423(4) 0.1378(2) 0.0329(10) Uani 1 1 d . . . . .
H8 H 0.2584 0.3928 0.1130 0.039 Uiso 1 1 calc R U . E 1
C9 C 0.0710(7) 0.3584(5) 0.1604(2) 0.0394(12) Uani 1 1 d . . . . .
H9 H 0.0087 0.4205 0.1508 0.047 Uiso 0.33 1 calc R U P A 2
C10 C 0.0088(8) 0.2875(5) 0.1967(2) 0.0431(14) Uani 1 1 d . . . . .
H10 H -0.0949 0.2993 0.2116 0.052 Uiso 1 1 calc R U . . .
C11 C 0.1023(7) 0.2005(5) 0.2100(2) 0.0399(13) Uani 1 1 d . . . . .
H11 H 0.0616 0.1508 0.2348 0.048 Uiso 0.33 1 calc R U P B 2
C12 C 0.2565(7) 0.1800(4) 0.18889(19) 0.0317(10) Uani 1 1 d . . . . .
C13 C 0.3654(7) 0.0903(4) 0.20272(19) 0.0311(10) Uani 1 1 d . . . . .
C14 C 0.3402(7) 0.0097(5) 0.2404(2) 0.0377(12) Uani 1 1 d . . . . .
H14 H 0.2427 0.0106 0.2599 0.045 Uiso 0.67 1 calc R U P D 1
C15 C 0.4541(8) -0.0710(5) 0.2499(2) 0.0428(14) Uani 1 1 d . . . . .
H15 H 0.4365 -0.1255 0.2758 0.051 Uiso 1 1 calc R U . . .
C16 C 0.5939(9) -0.0708(5) 0.2212(2) 0.0426(13) Uani 1 1 d . . . . .
H16 H 0.6734 -0.1262 0.2267 0.051 Uiso 0.67 1 calc R U P C 1
C17 C 0.6192(7) 0.0092(4) 0.1843(2) 0.0322(10) Uani 1 1 d . . . . .
H17 H 0.7174 0.0082 0.1652 0.039 Uiso 1 1 calc R U . E 1
C18 C 0.7226(6) 0.1102(3) -0.08802(18) 0.0226(8) Uani 1 1 d . . . . .
C19 C 0.7832(7) 0.0105(4) -0.0594(2) 0.0306(10) Uani 1 1 d . . . . .
H19A H 0.7713 0.0147 -0.0189 0.046 Uiso 1 1 calc R U . . .
H19B H 0.9023 -0.0005 -0.0644 0.046 Uiso 1 1 calc R U . . .
H19C H 0.7157 -0.0480 -0.0764 0.046 Uiso 1 1 calc R U . . .
C20 C 0.5658(5) 0.1616(4) -0.08171(18) 0.0220(8) Uani 1 1 d . . . . .
C21 C 0.4366(6) 0.1248(4) -0.0452(2) 0.0301(10) Uani 1 1 d . . . . .
H21A H 0.3665 0.1839 -0.0362 0.045 Uiso 1 1 calc R U . . .
H21B H 0.4938 0.0949 -0.0100 0.045 Uiso 1 1 calc R U . . .
H21C H 0.3651 0.0714 -0.0657 0.045 Uiso 1 1 calc R U . . .
C22 C 0.5552(6) 0.2534(4) -0.11613(19) 0.0239(8) Uani 1 1 d . . . . .
C23 C 0.4114(7) 0.3296(5) -0.1233(3) 0.0387(12) Uani 1 1 d . . . . .
H23A H 0.3217 0.3027 -0.1514 0.058 Uiso 1 1 calc R U . . .
H23B H 0.4514 0.3968 -0.1363 0.058 Uiso 1 1 calc R U . . .
H23C H 0.3670 0.3392 -0.0868 0.058 Uiso 1 1 calc R U . . .
C24 C 0.7041(6) 0.2589(4) -0.14432(19) 0.0262(9) Uani 1 1 d . . . . .
C25 C 0.7401(8) 0.3397(5) -0.1872(2) 0.0388(12) Uani 1 1 d . . . . .
H25A H 0.6959 0.3159 -0.2253 0.058 Uiso 1 1 calc R U . . .
H25B H 0.8624 0.3504 -0.1852 0.058 Uiso 1 1 calc R U . . .
H25C H 0.6856 0.4057 -0.1790 0.058 Uiso 1 1 calc R U . . .
C26 C 0.8083(6) 0.1701(4) -0.12714(18) 0.0241(8) Uani 1 1 d . . . . .
C27 C 0.9715(6) 0.1419(5) -0.1482(2) 0.0348(11) Uani 1 1 d . . . . .
H27A H 0.9493 0.0967 -0.1816 0.052 Uiso 1 1 calc R U . . .
H27B H 1.0435 0.1048 -0.1183 0.052 Uiso 1 1 calc R U . . .
H27C H 1.0288 0.2056 -0.1585 0.052 Uiso 1 1 calc R U . . .


_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
Pt1 N1B 2.033(5) . ?
Pt1 N1A 2.050(4) . ?
Pt1 S2 2.2687(14) . ?
Pt1 S1 2.3130(14) . ?
Ru1 C18 2.172(4) . ?
Ru1 C26 2.176(4) . ?
Ru1 C24 2.177(4) . ?
Ru1 C22 2.182(4) . ?
Ru1 C20 2.185(4) . ?
Ru1 C4 2.189(5) . ?
Ru1 C5 2.203(5) . ?
Ru1 C3 2.204(5) . ?
Ru1 C6 2.211(5) . ?
Ru1 C1 2.287(4) . ?
Ru1 C2 2.307(4) . ?
S1 C1 1.743(5) . ?
S2 C2 1.739(5) . ?
F1A C9 1.284(8) . ?
F2A C11 1.379(8) . ?
F1B C16 1.161(13) . ?
F2B C14 1.445(13) . ?
N1A C17 1.335(7) . ?
N1A C13 1.399(6) . ?
N1B C8 1.369(8) . ?
N1B C12 1.409(7) . ?
C1 C6 1.427(7) . ?
C1 C2 1.428(7) . ?
C2 C3 1.425(7) . ?
C3 C4 1.419(7) . ?
C4 C5 1.414(8) . ?
C5 C6 1.411(7) . ?
C8 C9 1.372(7) . ?
C9 C10 1.382(9) . ?
C10 C11 1.357(9) . ?
C11 C12 1.405(8) . ?
C12 C13 1.453(8) . ?
C13 C14 1.395(7) . ?
C14 C15 1.375(9) . ?
C15 C16 1.375(9) . ?
C16 C17 1.376(8) . ?
C18 C20 1.435(6) . ?
C18 C26 1.438(6) . ?
C18 C19 1.497(6) . ?
C20 C22 1.428(6) . ?
C20 C21 1.498(6) . ?
C22 C24 1.432(6) . ?
C22 C23 1.500(7) . ?
C24 C26 1.438(7) . ?
C24 C25 1.502(7) . ?
C26 C27 1.493(6) . ?

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
N1B Pt1 S2 94.37(14) . . ?
N1A Pt1 S2 175.71(13) . . ?
N1B Pt1 S1 176.34(14) . . ?
N1A Pt1 S1 95.04(13) . . ?
S2 Pt1 S1 89.25(5) . . ?
C18 Ru1 C26 38.63(16) . . ?
C18 Ru1 C24 64.49(17) . . ?
C26 Ru1 C24 38.57(18) . . ?
C18 Ru1 C22 64.35(17) . . ?
C26 Ru1 C22 64.45(17) . . ?
C24 Ru1 C22 38.35(17) . . ?
C18 Ru1 C20 38.47(16) . . ?
C26 Ru1 C20 64.43(17) . . ?
C24 Ru1 C20 64.14(17) . . ?
C22 Ru1 C20 38.18(16) . . ?
C18 Ru1 C4 158.89(18) . . ?
C26 Ru1 C4 123.23(18) . . ?
C24 Ru1 C4 108.27(19) . . ?
C22 Ru1 C4 123.44(19) . . ?
C20 Ru1 C4 158.73(19) . . ?
C18 Ru1 C5 126.77(19) . . ?
C26 Ru1 C5 108.33(18) . . ?
C24 Ru1 C5 120.28(18) . . ?
C22 Ru1 C5 154.22(18) . . ?
C20 Ru1 C5 163.70(19) . . ?
C4 Ru1 C5 37.6(2) . . ?
C18 Ru1 C3 163.43(17) . . ?
C26 Ru1 C3 152.82(18) . . ?
C24 Ru1 C3 118.51(19) . . ?
C22 Ru1 C3 107.07(19) . . ?
C20 Ru1 C3 126.10(18) . . ?
C4 Ru1 C3 37.68(18) . . ?
C5 Ru1 C3 67.3(2) . . ?
C18 Ru1 C6 107.06(17) . . ?
C26 Ru1 C6 114.50(18) . . ?
C24 Ru1 C6 147.20(18) . . ?
C22 Ru1 C6 168.27(18) . . ?
C20 Ru1 C6 130.16(17) . . ?
C4 Ru1 C6 67.5(2) . . ?
C5 Ru1 C6 37.29(18) . . ?
C3 Ru1 C6 79.07(19) . . ?
C18 Ru1 C1 108.93(16) . . ?
C26 Ru1 C1 138.47(17) . . ?
C24 Ru1 C1 172.08(17) . . ?
C22 Ru1 C1 135.80(16) . . ?
C20 Ru1 C1 108.02(16) . . ?
C4 Ru1 C1 79.44(18) . . ?
C5 Ru1 C1 66.89(17) . . ?
C3 Ru1 C1 66.43(18) . . ?
C6 Ru1 C1 36.95(17) . . ?
C18 Ru1 C2 131.10(16) . . ?
C26 Ru1 C2 169.72(17) . . ?
C24 Ru1 C2 144.73(18) . . ?
C22 Ru1 C2 112.96(17) . . ?
C20 Ru1 C2 107.05(16) . . ?
C4 Ru1 C2 66.84(17) . . ?
C5 Ru1 C2 78.30(18) . . ?
C3 Ru1 C2 36.73(17) . . ?
C6 Ru1 C2 65.81(18) . . ?
C1 Ru1 C2 36.21(18) . . ?
C1 S1 Pt1 103.56(18) . . ?
C2 S2 Pt1 105.13(18) . . ?
C17 N1A C13 119.4(5) . . ?
C17 N1A Pt1 126.3(3) . . ?
C13 N1A Pt1 114.4(4) . . ?
C8 N1B C12 119.9(5) . . ?
C8 N1B Pt1 126.8(4) . . ?
C12 N1B Pt1 113.3(4) . . ?
C6 C1 C2 118.7(4) . . ?
C6 C1 S1 120.0(4) . . ?
C2 C1 S1 121.3(4) . . ?
C6 C1 Ru1 68.6(3) . . ?
C2 C1 Ru1 72.7(3) . . ?
S1 C1 Ru1 129.7(2) . . ?
C3 C2 C1 119.3(4) . . ?
C3 C2 S2 120.1(4) . . ?
C1 C2 S2 120.6(4) . . ?
C3 C2 Ru1 67.7(3) . . ?
C1 C2 Ru1 71.1(2) . . ?
S2 C2 Ru1 132.8(3) . . ?
C4 C3 C2 121.3(5) . . ?
C4 C3 Ru1 70.6(3) . . ?
C2 C3 Ru1 75.6(3) . . ?
C5 C4 C3 119.2(5) . . ?
C5 C4 Ru1 71.8(3) . . ?
C3 C4 Ru1 71.7(3) . . ?
C6 C5 C4 119.9(4) . . ?
C6 C5 Ru1 71.6(3) . . ?
C4 C5 Ru1 70.7(3) . . ?
C5 C6 C1 121.4(5) . . ?
C5 C6 Ru1 71.1(3) . . ?
C1 C6 Ru1 74.4(3) . . ?
N1B C8 C9 120.1(5) . . ?
F1A C9 C8 119.8(6) . . ?
F1A C9 C10 117.9(6) . . ?
C8 C9 C10 122.3(6) . . ?
C11 C10 C9 117.1(5) . . ?
C10 C11 F2A 121.2(5) . . ?
C10 C11 C12 123.3(5) . . ?
F2A C11 C12 115.4(6) . . ?
C11 C12 N1B 117.2(5) . . ?
C11 C12 C13 126.2(5) . . ?
N1B C12 C13 116.6(5) . . ?
C14 C13 N1A 118.7(5) . . ?
C14 C13 C12 126.9(5) . . ?
N1A C13 C12 114.4(4) . . ?
C15 C14 C13 121.2(5) . . ?
C15 C14 F2B 125.9(7) . . ?
C13 C14 F2B 112.9(7) . . ?
C16 C15 C14 118.4(5) . . ?
F1B C16 C15 117.4(8) . . ?
F1B C16 C17 121.6(8) . . ?
C15 C16 C17 120.4(6) . . ?
N1A C17 C16 122.0(5) . . ?
C20 C18 C26 108.0(4) . . ?
C20 C18 C19 125.5(4) . . ?
C26 C18 C19 126.5(4) . . ?
C20 C18 Ru1 71.3(2) . . ?
C26 C18 Ru1 70.8(3) . . ?
C19 C18 Ru1 124.4(3) . . ?
C22 C20 C18 108.1(4) . . ?
C22 C20 C21 126.2(4) . . ?
C18 C20 C21 125.7(4) . . ?
C22 C20 Ru1 70.8(3) . . ?
C18 C20 Ru1 70.3(2) . . ?
C21 C20 Ru1 124.6(3) . . ?
C20 C22 C24 108.2(4) . . ?
C20 C22 C23 126.4(4) . . ?
C24 C22 C23 125.5(4) . . ?
C20 C22 Ru1 71.0(2) . . ?
C24 C22 Ru1 70.7(3) . . ?
C23 C22 Ru1 125.4(4) . . ?
C22 C24 C26 108.2(4) . . ?
C22 C24 C25 125.9(4) . . ?
C26 C24 C25 125.8(4) . . ?
C22 C24 Ru1 71.0(3) . . ?
C26 C24 Ru1 70.7(2) . . ?
C25 C24 Ru1 126.8(4) . . ?
C24 C26 C18 107.6(4) . . ?
C24 C26 C27 126.4(4) . . ?
C18 C26 C27 125.9(4) . . ?
C24 C26 Ru1 70.8(3) . . ?
C18 C26 Ru1 70.5(2) . . ?
C27 C26 Ru1 126.5(3) . . ?

_refine_diff_density_max         2.914
_refine_diff_density_min         -2.645
_refine_diff_density_rms         0.165
