# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_masa834
_database_code_depnum_ccdc_archive 'CCDC 1049295'
_audit_update_record             
;
2015-02-13 deposited with the CCDC.
2015-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H64 Ru Si3 Sn'
_chemical_formula_weight         860.97

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'
Si Si 0.0817 0.0704 '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'
Sn Sn -0.6537 1.4246 '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                   11.8804(14)
_cell_length_b                   21.679(3)
_cell_length_c                   16.7980(18)
_cell_angle_alpha                90
_cell_angle_beta                 103.113(3)
_cell_angle_gamma                90
_cell_volume                     4213.6(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5592
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      27.80

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_F_000             1784
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.062
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.899
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            28435
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.559
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9198
_reflns_number_gt                7789
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0465P)²+0.8516P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9198
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0466
_refine_ls_wR_factor_ref         0.1028
_refine_ls_wR_factor_gt          0.0973
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.011
_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
Ru1 Ru 0.14184(2) 0.17650(2) 0.36652(2) 0.01171(8) Uani 1 1 d . . . . .
Sn1 Sn -0.08046(2) 0.19214(2) 0.28846(2) 0.01386(8) Uani 1 1 d . . . . .
C1 C 0.0531(3) 0.25851(16) 0.2960(2) 0.0125(7) Uani 1 1 d . . . . .
C2 C 0.1386(3) 0.23371(16) 0.2581(2) 0.0134(7) Uani 1 1 d . . . . .
C3 C 0.1317(3) 0.16916(17) 0.2342(2) 0.0139(7) Uani 1 1 d . . . . .
C4 C 0.0391(3) 0.13263(16) 0.2502(2) 0.0137(7) Uani 1 1 d . . . . .
Si1 Si -0.26565(9) 0.18120(5) 0.34289(7) 0.0196(2) Uani 1 1 d . . . . .
C5 C -0.2727(3) 0.24007(19) 0.4223(2) 0.0258(9) Uani 1 1 d . . . . .
H1 H -0.2665 0.2805 0.4004 0.039 Uiso 1 1 calc R U . . .
H2 H -0.2102 0.2336 0.4690 0.039 Uiso 1 1 calc R U . . .
H3 H -0.3449 0.2364 0.4383 0.039 Uiso 1 1 calc R U . . .
C6 C -0.3844(3) 0.1964(2) 0.2514(3) 0.0296(10) Uani 1 1 d . . . . .
H4 H -0.4577 0.1912 0.2656 0.044 Uiso 1 1 calc R U . . .
H5 H -0.3786 0.1679 0.2087 0.044 Uiso 1 1 calc R U . . .
H6 H -0.3781 0.2378 0.2328 0.044 Uiso 1 1 calc R U . . .
C7 C -0.2802(4) 0.10250(19) 0.3842(3) 0.0309(10) Uani 1 1 d . . . . .
H7 H -0.2147 0.0941 0.4281 0.046 Uiso 1 1 calc R U . . .
H8 H -0.2837 0.0725 0.3417 0.046 Uiso 1 1 calc R U . . .
H9 H -0.3496 0.1004 0.4043 0.046 Uiso 1 1 calc R U . . .
Si2 Si 0.03071(8) 0.34117(5) 0.32112(6) 0.0140(2) Uani 1 1 d . . . . .
C8 C 0.1630(3) 0.39065(18) 0.3351(2) 0.0216(8) Uani 1 1 d . . . . .
H10 H 0.2256 0.3712 0.3730 0.032 Uiso 1 1 calc R U . . .
H11 H 0.1476 0.4302 0.3560 0.032 Uiso 1 1 calc R U . . .
H12 H 0.1836 0.3959 0.2834 0.032 Uiso 1 1 calc R U . . .
C9 C -0.0218(3) 0.34733(19) 0.4178(2) 0.0235(9) Uani 1 1 d . . . . .
H13 H -0.0677 0.3118 0.4232 0.035 Uiso 1 1 calc R U . . .
H14 H -0.0678 0.3839 0.4162 0.035 Uiso 1 1 calc R U . . .
H15 H 0.0433 0.3494 0.4636 0.035 Uiso 1 1 calc R U . . .
C10 C -0.0865(3) 0.37794(18) 0.2371(2) 0.0213(8) Uani 1 1 d . . . . .
C11 C -0.0889(4) 0.44753(19) 0.2525(3) 0.0316(10) Uani 1 1 d . . . . .
H16 H -0.1490 0.4662 0.2117 0.047 Uiso 1 1 calc R U . . .
H17 H -0.0157 0.4652 0.2497 0.047 Uiso 1 1 calc R U . . .
H18 H -0.1033 0.4548 0.3056 0.047 Uiso 1 1 calc R U . . .
C12 C -0.2070(4) 0.3523(2) 0.2361(3) 0.0326(11) Uani 1 1 d . . . . .
H19 H -0.2249 0.3593 0.2883 0.049 Uiso 1 1 calc R U . . .
H20 H -0.2084 0.3089 0.2251 0.049 Uiso 1 1 calc R U . . .
H21 H -0.2631 0.3728 0.1943 0.049 Uiso 1 1 calc R U . . .
C13 C -0.0604(4) 0.3678(2) 0.1528(3) 0.0374(11) Uani 1 1 d . . . . .
H22 H -0.1174 0.3887 0.1121 0.056 Uiso 1 1 calc R U . . .
H23 H -0.0623 0.3245 0.1408 0.056 Uiso 1 1 calc R U . . .
H24 H 0.0149 0.3839 0.1527 0.056 Uiso 1 1 calc R U . . .
C14 C 0.2315(3) 0.27270(17) 0.2359(2) 0.0167(8) Uani 1 1 d . . . . .
C15 C 0.3370(3) 0.28326(19) 0.2898(3) 0.0239(9) Uani 1 1 d . . . . .
H25 H 0.3524 0.2645 0.3409 0.029 Uiso 1 1 calc R U . . .
C16 C 0.4200(4) 0.3212(2) 0.2692(3) 0.0323(11) Uani 1 1 d . . . . .
H26 H 0.4895 0.3282 0.3066 0.039 Uiso 1 1 calc R U . . .
C17 C 0.3992(4) 0.3483(2) 0.1933(3) 0.0375(12) Uani 1 1 d . . . . .
H27 H 0.4547 0.3736 0.1790 0.045 Uiso 1 1 calc R U . . .
C18 C 0.2958(4) 0.3380(2) 0.1387(3) 0.0344(11) Uani 1 1 d . . . . .
H28 H 0.2814 0.3564 0.0874 0.041 Uiso 1 1 calc R U . . .
C19 C 0.2130(4) 0.30026(19) 0.1594(2) 0.0262(9) Uani 1 1 d . . . . .
H29 H 0.1439 0.2932 0.1215 0.031 Uiso 1 1 calc R U . . .
C20 C 0.2189(3) 0.14364(16) 0.1909(2) 0.0151(7) Uani 1 1 d . . . . .
C21 C 0.3168(3) 0.11270(17) 0.2318(2) 0.0185(8) Uani 1 1 d . . . . .
H30 H 0.3300 0.1078 0.2882 0.022 Uiso 1 1 calc R U . . .
C22 C 0.3957(3) 0.08887(19) 0.1908(3) 0.0252(9) Uani 1 1 d . . . . .
H31 H 0.4606 0.0679 0.2195 0.030 Uiso 1 1 calc R U . . .
C23 C 0.3780(4) 0.09622(19) 0.1075(3) 0.0271(10) Uani 1 1 d . . . . .
H32 H 0.4310 0.0802 0.0799 0.033 Uiso 1 1 calc R U . . .
C24 C 0.2817(4) 0.12743(18) 0.0651(2) 0.0243(9) Uani 1 1 d . . . . .
H33 H 0.2696 0.1326 0.0088 0.029 Uiso 1 1 calc R U . . .
C25 C 0.2031(3) 0.15109(17) 0.1068(2) 0.0193(8) Uani 1 1 d . . . . .
H34 H 0.1386 0.1723 0.0781 0.023 Uiso 1 1 calc R U . . .
Si3 Si 0.00032(9) 0.05112(5) 0.21843(6) 0.0146(2) Uani 1 1 d . . . . .
C26 C -0.0601(3) 0.01256(18) 0.2993(2) 0.0226(9) Uani 1 1 d . . . . .
H35 H 0.0019 -0.0045 0.3402 0.034 Uiso 1 1 calc R U . . .
H36 H -0.1117 -0.0199 0.2751 0.034 Uiso 1 1 calc R U . . .
H37 H -0.1015 0.0422 0.3240 0.034 Uiso 1 1 calc R U . . .
C27 C 0.1232(3) 0.00268(18) 0.2018(2) 0.0234(9) Uani 1 1 d . . . . .
H38 H 0.1478 0.0173 0.1545 0.035 Uiso 1 1 calc R U . . .
H39 H 0.0985 -0.0395 0.1935 0.035 Uiso 1 1 calc R U . . .
H40 H 0.1863 0.0054 0.2488 0.035 Uiso 1 1 calc R U . . .
C28 C -0.1166(3) 0.04821(18) 0.1193(2) 0.0178(8) Uani 1 1 d . . . . .
C29 C -0.0747(4) 0.0792(2) 0.0501(2) 0.0255(9) Uani 1 1 d . . . . .
H41 H -0.1329 0.0755 0.0003 0.038 Uiso 1 1 calc R U . . .
H42 H -0.0049 0.0596 0.0435 0.038 Uiso 1 1 calc R U . . .
H43 H -0.0597 0.1220 0.0628 0.038 Uiso 1 1 calc R U . . .
C30 C -0.2298(3) 0.0790(2) 0.1278(2) 0.0276(10) Uani 1 1 d . . . . .
H44 H -0.2167 0.1223 0.1383 0.041 Uiso 1 1 calc R U . . .
H45 H -0.2557 0.0605 0.1724 0.041 Uiso 1 1 calc R U . . .
H46 H -0.2876 0.0736 0.0782 0.041 Uiso 1 1 calc R U . . .
C31 C -0.1445(4) -0.01990(19) 0.0957(3) 0.0301(10) Uani 1 1 d . . . . .
H47 H -0.2033 -0.0217 0.0460 0.045 Uiso 1 1 calc R U . . .
H48 H -0.1715 -0.0401 0.1387 0.045 Uiso 1 1 calc R U . . .
H49 H -0.0760 -0.0402 0.0878 0.045 Uiso 1 1 calc R U . . .
C32 C 0.1539(3) 0.18523(19) 0.4987(2) 0.0201(8) Uani 1 1 d . . . . .
C33 C 0.1454(3) 0.1214(2) 0.4771(2) 0.0219(9) Uani 1 1 d . . . . .
C34 C 0.2437(4) 0.10510(18) 0.4470(2) 0.0222(9) Uani 1 1 d . . . . .
C35 C 0.3149(3) 0.1589(2) 0.4506(2) 0.0213(8) Uani 1 1 d . . . . .
C36 C 0.2584(3) 0.20832(19) 0.4817(2) 0.0208(8) Uani 1 1 d . . . . .
C37 C 0.0770(4) 0.2179(3) 0.5449(2) 0.0383(12) Uani 1 1 d . . . . .
H50 H 0.0944 0.2040 0.6006 0.057 Uiso 1 1 calc R U . . .
H51 H -0.0023 0.2091 0.5200 0.057 Uiso 1 1 calc R U . . .
H52 H 0.0900 0.2616 0.5435 0.057 Uiso 1 1 calc R U . . .
C38 C 0.0600(4) 0.0780(2) 0.4999(3) 0.0421(13) Uani 1 1 d . . . . .
H53 H 0.0491 0.0432 0.4635 0.063 Uiso 1 1 calc R U . . .
H54 H -0.0124 0.0988 0.4957 0.063 Uiso 1 1 calc R U . . .
H55 H 0.0886 0.0640 0.5550 0.063 Uiso 1 1 calc R U . . .
C39 C 0.2768(5) 0.0402(2) 0.4305(3) 0.0410(13) Uani 1 1 d . . . . .
H56 H 0.3088 0.0198 0.4814 0.061 Uiso 1 1 calc R U . . .
H57 H 0.3332 0.0410 0.3977 0.061 Uiso 1 1 calc R U . . .
H58 H 0.2095 0.0182 0.4020 0.061 Uiso 1 1 calc R U . . .
C40 C 0.4371(4) 0.1594(3) 0.4406(3) 0.0371(12) Uani 1 1 d . . . . .
H59 H 0.4574 0.2004 0.4275 0.056 Uiso 1 1 calc R U . . .
H60 H 0.4442 0.1318 0.3974 0.056 Uiso 1 1 calc R U . . .
H61 H 0.4879 0.1463 0.4907 0.056 Uiso 1 1 calc R U . . .
C41 C 0.3094(4) 0.2706(2) 0.5063(3) 0.0378(12) Uani 1 1 d . . . . .
H62 H 0.3468 0.2702 0.5633 0.057 Uiso 1 1 calc R U . . .
H63 H 0.2491 0.3010 0.4967 0.057 Uiso 1 1 calc R U . . .
H64 H 0.3649 0.2804 0.4747 0.057 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
Ru1 C2 2.197(3) . ?
Ru1 C32 2.200(4) . ?
Ru1 C33 2.201(4) . ?
Ru1 C3 2.204(3) . ?
Ru1 C36 2.219(4) . ?
Ru1 C34 2.224(4) . ?
Ru1 C35 2.247(4) . ?
Ru1 C1 2.260(3) . ?
Ru1 C4 2.264(3) . ?
Ru1 Sn1 2.6903(5) . ?
Sn1 C4 2.123(4) . ?
Sn1 C1 2.125(3) . ?
Sn1 Si1 2.5779(11) . ?
C1 C2 1.422(5) . ?
C1 Si2 1.874(4) . ?
C2 C3 1.453(5) . ?
C2 C14 1.503(5) . ?
C3 C4 1.430(5) . ?
C3 C20 1.500(5) . ?
C4 Si3 1.873(4) . ?
Si1 C5 1.861(4) . ?
Si1 C6 1.865(4) . ?
Si1 C7 1.865(4) . ?
C5 H1 0.9600 . ?
C5 H2 0.9600 . ?
C5 H3 0.9600 . ?
C6 H4 0.9600 . ?
C6 H5 0.9600 . ?
C6 H6 0.9600 . ?
C7 H7 0.9600 . ?
C7 H8 0.9600 . ?
C7 H9 0.9600 . ?
Si2 C9 1.872(4) . ?
Si2 C8 1.873(4) . ?
Si2 C10 1.916(4) . ?
C8 H10 0.9600 . ?
C8 H11 0.9600 . ?
C8 H12 0.9600 . ?
C9 H13 0.9600 . ?
C9 H14 0.9600 . ?
C9 H15 0.9600 . ?
C10 C11 1.532(5) . ?
C10 C12 1.532(6) . ?
C10 C13 1.533(6) . ?
C11 H16 0.9600 . ?
C11 H17 0.9600 . ?
C11 H18 0.9600 . ?
C12 H19 0.9600 . ?
C12 H20 0.9600 . ?
C12 H21 0.9600 . ?
C13 H22 0.9600 . ?
C13 H23 0.9600 . ?
C13 H24 0.9600 . ?
C14 C15 1.388(5) . ?
C14 C19 1.389(5) . ?
C15 C16 1.387(6) . ?
C15 H25 0.9300 . ?
C16 C17 1.374(7) . ?
C16 H26 0.9300 . ?
C17 C18 1.375(7) . ?
C17 H27 0.9300 . ?
C18 C19 1.383(6) . ?
C18 H28 0.9300 . ?
C19 H29 0.9300 . ?
C20 C21 1.383(5) . ?
C20 C25 1.392(5) . ?
C21 C22 1.382(5) . ?
C21 H30 0.9300 . ?
C22 C23 1.377(6) . ?
C22 H31 0.9300 . ?
C23 C24 1.380(6) . ?
C23 H32 0.9300 . ?
C24 C25 1.387(5) . ?
C24 H33 0.9300 . ?
C25 H34 0.9300 . ?
Si3 C27 1.870(4) . ?
Si3 C26 1.871(4) . ?
Si3 C28 1.913(4) . ?
C26 H35 0.9600 . ?
C26 H36 0.9600 . ?
C26 H37 0.9600 . ?
C27 H38 0.9600 . ?
C27 H39 0.9600 . ?
C27 H40 0.9600 . ?
C28 C29 1.520(5) . ?
C28 C30 1.537(5) . ?
C28 C31 1.545(5) . ?
C29 H41 0.9600 . ?
C29 H42 0.9600 . ?
C29 H43 0.9600 . ?
C30 H44 0.9600 . ?
C30 H45 0.9600 . ?
C30 H46 0.9600 . ?
C31 H47 0.9600 . ?
C31 H48 0.9600 . ?
C31 H49 0.9600 . ?
C32 C36 1.427(5) . ?
C32 C33 1.427(6) . ?
C32 C37 1.503(6) . ?
C33 C34 1.419(6) . ?
C33 C38 1.496(6) . ?
C34 C35 1.434(6) . ?
C34 C39 1.504(6) . ?
C35 C36 1.426(6) . ?
C35 C40 1.498(5) . ?
C36 C41 1.498(6) . ?
C37 H50 0.9600 . ?
C37 H51 0.9600 . ?
C37 H52 0.9600 . ?
C38 H53 0.9600 . ?
C38 H54 0.9600 . ?
C38 H55 0.9600 . ?
C39 H56 0.9600 . ?
C39 H57 0.9600 . ?
C39 H58 0.9600 . ?
C40 H59 0.9600 . ?
C40 H60 0.9600 . ?
C40 H61 0.9600 . ?
C41 H62 0.9600 . ?
C41 H63 0.9600 . ?
C41 H64 0.9600 . ?

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
C2 Ru1 C32 140.63(14) . . ?
C2 Ru1 C33 178.48(14) . . ?
C32 Ru1 C33 37.85(15) . . ?
C2 Ru1 C3 38.55(13) . . ?
C32 Ru1 C3 179.01(15) . . ?
C33 Ru1 C3 142.97(14) . . ?
C2 Ru1 C36 115.96(14) . . ?
C32 Ru1 C36 37.66(14) . . ?
C33 Ru1 C36 62.85(14) . . ?
C3 Ru1 C36 141.48(14) . . ?
C2 Ru1 C34 143.30(14) . . ?
C32 Ru1 C34 62.92(14) . . ?
C33 Ru1 C34 37.41(15) . . ?
C3 Ru1 C34 117.41(14) . . ?
C36 Ru1 C34 62.63(14) . . ?
C2 Ru1 C35 117.28(14) . . ?
C32 Ru1 C35 62.61(14) . . ?
C33 Ru1 C35 62.47(14) . . ?
C3 Ru1 C35 117.00(13) . . ?
C36 Ru1 C35 37.23(15) . . ?
C34 Ru1 C35 37.40(15) . . ?
C2 Ru1 C1 37.17(12) . . ?
C32 Ru1 C1 112.13(14) . . ?
C33 Ru1 C1 141.85(14) . . ?
C3 Ru1 C1 67.44(13) . . ?
C36 Ru1 C1 109.70(14) . . ?
C34 Ru1 C1 172.23(13) . . ?
C35 Ru1 C1 135.60(14) . . ?
C2 Ru1 C4 67.50(13) . . ?
C32 Ru1 C4 143.64(14) . . ?
C33 Ru1 C4 113.81(14) . . ?
C3 Ru1 C4 37.30(13) . . ?
C36 Ru1 C4 172.12(14) . . ?
C34 Ru1 C4 110.15(14) . . ?
C35 Ru1 C4 135.06(14) . . ?
C1 Ru1 C4 77.44(13) . . ?
C2 Ru1 Sn1 72.19(9) . . ?
C32 Ru1 Sn1 108.23(10) . . ?
C33 Ru1 Sn1 107.97(10) . . ?
C3 Ru1 Sn1 72.22(9) . . ?
C36 Ru1 Sn1 137.35(11) . . ?
C34 Ru1 Sn1 136.27(11) . . ?
C35 Ru1 Sn1 169.98(10) . . ?
C1 Ru1 Sn1 49.91(9) . . ?
C4 Ru1 Sn1 49.84(9) . . ?
C4 Sn1 C1 83.56(13) . . ?
C4 Sn1 Si1 137.28(10) . . ?
C1 Sn1 Si1 136.64(10) . . ?
C4 Sn1 Ru1 54.60(9) . . ?
C1 Sn1 Ru1 54.46(9) . . ?
Si1 Sn1 Ru1 129.64(3) . . ?
C2 C1 Si2 128.0(3) . . ?
C2 C1 Sn1 108.5(2) . . ?
Si2 C1 Sn1 121.26(18) . . ?
C2 C1 Ru1 69.0(2) . . ?
Si2 C1 Ru1 135.06(18) . . ?
Sn1 C1 Ru1 75.63(11) . . ?
C1 C2 C3 119.1(3) . . ?
C1 C2 C14 122.6(3) . . ?
C3 C2 C14 118.2(3) . . ?
C1 C2 Ru1 73.8(2) . . ?
C3 C2 Ru1 70.97(19) . . ?
C14 C2 Ru1 130.3(2) . . ?
C4 C3 C2 118.6(3) . . ?
C4 C3 C20 122.2(3) . . ?
C2 C3 C20 119.2(3) . . ?
C4 C3 Ru1 73.7(2) . . ?
C2 C3 Ru1 70.47(19) . . ?
C20 C3 Ru1 129.0(2) . . ?
C3 C4 Si3 128.2(3) . . ?
C3 C4 Sn1 108.4(2) . . ?
Si3 C4 Sn1 121.43(18) . . ?
C3 C4 Ru1 69.0(2) . . ?
Si3 C4 Ru1 133.78(18) . . ?
Sn1 C4 Ru1 75.56(11) . . ?
C5 Si1 C6 108.7(2) . . ?
C5 Si1 C7 109.73(19) . . ?
C6 Si1 C7 110.6(2) . . ?
C5 Si1 Sn1 111.81(13) . . ?
C6 Si1 Sn1 103.80(14) . . ?
C7 Si1 Sn1 112.00(14) . . ?
Si1 C5 H1 109.5 . . ?
Si1 C5 H2 109.5 . . ?
H1 C5 H2 109.5 . . ?
Si1 C5 H3 109.5 . . ?
H1 C5 H3 109.5 . . ?
H2 C5 H3 109.5 . . ?
Si1 C6 H4 109.5 . . ?
Si1 C6 H5 109.5 . . ?
H4 C6 H5 109.5 . . ?
Si1 C6 H6 109.5 . . ?
H4 C6 H6 109.5 . . ?
H5 C6 H6 109.5 . . ?
Si1 C7 H7 109.5 . . ?
Si1 C7 H8 109.5 . . ?
H7 C7 H8 109.5 . . ?
Si1 C7 H9 109.5 . . ?
H7 C7 H9 109.5 . . ?
H8 C7 H9 109.5 . . ?
C9 Si2 C8 106.60(18) . . ?
C9 Si2 C1 110.83(17) . . ?
C8 Si2 C1 114.70(17) . . ?
C9 Si2 C10 106.25(18) . . ?
C8 Si2 C10 107.62(18) . . ?
C1 Si2 C10 110.42(16) . . ?
Si2 C8 H10 109.5 . . ?
Si2 C8 H11 109.5 . . ?
H10 C8 H11 109.5 . . ?
Si2 C8 H12 109.5 . . ?
H10 C8 H12 109.5 . . ?
H11 C8 H12 109.5 . . ?
Si2 C9 H13 109.5 . . ?
Si2 C9 H14 109.5 . . ?
H13 C9 H14 109.5 . . ?
Si2 C9 H15 109.5 . . ?
H13 C9 H15 109.5 . . ?
H14 C9 H15 109.5 . . ?
C11 C10 C12 107.8(3) . . ?
C11 C10 C13 108.2(4) . . ?
C12 C10 C13 108.8(4) . . ?
C11 C10 Si2 108.9(3) . . ?
C12 C10 Si2 112.2(3) . . ?
C13 C10 Si2 110.8(3) . . ?
C10 C11 H16 109.5 . . ?
C10 C11 H17 109.5 . . ?
H16 C11 H17 109.5 . . ?
C10 C11 H18 109.5 . . ?
H16 C11 H18 109.5 . . ?
H17 C11 H18 109.5 . . ?
C10 C12 H19 109.5 . . ?
C10 C12 H20 109.5 . . ?
H19 C12 H20 109.5 . . ?
C10 C12 H21 109.5 . . ?
H19 C12 H21 109.5 . . ?
H20 C12 H21 109.5 . . ?
C10 C13 H22 109.5 . . ?
C10 C13 H23 109.5 . . ?
H22 C13 H23 109.5 . . ?
C10 C13 H24 109.5 . . ?
H22 C13 H24 109.5 . . ?
H23 C13 H24 109.5 . . ?
C15 C14 C19 117.6(4) . . ?
C15 C14 C2 122.4(3) . . ?
C19 C14 C2 120.0(3) . . ?
C16 C15 C14 121.5(4) . . ?
C16 C15 H25 119.3 . . ?
C14 C15 H25 119.3 . . ?
C17 C16 C15 119.8(4) . . ?
C17 C16 H26 120.1 . . ?
C15 C16 H26 120.1 . . ?
C16 C17 C18 119.6(4) . . ?
C16 C17 H27 120.2 . . ?
C18 C17 H27 120.2 . . ?
C17 C18 C19 120.5(4) . . ?
C17 C18 H28 119.8 . . ?
C19 C18 H28 119.8 . . ?
C18 C19 C14 121.0(4) . . ?
C18 C19 H29 119.5 . . ?
C14 C19 H29 119.5 . . ?
C21 C20 C25 117.7(3) . . ?
C21 C20 C3 122.3(3) . . ?
C25 C20 C3 120.0(3) . . ?
C22 C21 C20 121.6(4) . . ?
C22 C21 H30 119.2 . . ?
C20 C21 H30 119.2 . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 H31 120.0 . . ?
C21 C22 H31 120.0 . . ?
C22 C23 C24 119.9(4) . . ?
C22 C23 H32 120.0 . . ?
C24 C23 H32 120.0 . . ?
C23 C24 C25 119.6(4) . . ?
C23 C24 H33 120.2 . . ?
C25 C24 H33 120.2 . . ?
C24 C25 C20 121.2(4) . . ?
C24 C25 H34 119.4 . . ?
C20 C25 H34 119.4 . . ?
C27 Si3 C26 107.38(19) . . ?
C27 Si3 C4 115.01(17) . . ?
C26 Si3 C4 108.92(17) . . ?
C27 Si3 C28 106.76(18) . . ?
C26 Si3 C28 107.16(18) . . ?
C4 Si3 C28 111.26(16) . . ?
Si3 C26 H35 109.5 . . ?
Si3 C26 H36 109.5 . . ?
H35 C26 H36 109.5 . . ?
Si3 C26 H37 109.5 . . ?
H35 C26 H37 109.5 . . ?
H36 C26 H37 109.5 . . ?
Si3 C27 H38 109.5 . . ?
Si3 C27 H39 109.5 . . ?
H38 C27 H39 109.5 . . ?
Si3 C27 H40 109.5 . . ?
H38 C27 H40 109.5 . . ?
H39 C27 H40 109.5 . . ?
C29 C28 C30 109.0(3) . . ?
C29 C28 C31 108.4(3) . . ?
C30 C28 C31 107.4(3) . . ?
C29 C28 Si3 110.6(3) . . ?
C30 C28 Si3 112.5(3) . . ?
C31 C28 Si3 109.0(3) . . ?
C28 C29 H41 109.5 . . ?
C28 C29 H42 109.5 . . ?
H41 C29 H42 109.5 . . ?
C28 C29 H43 109.5 . . ?
H41 C29 H43 109.5 . . ?
H42 C29 H43 109.5 . . ?
C28 C30 H44 109.5 . . ?
C28 C30 H45 109.5 . . ?
H44 C30 H45 109.5 . . ?
C28 C30 H46 109.5 . . ?
H44 C30 H46 109.5 . . ?
H45 C30 H46 109.5 . . ?
C28 C31 H47 109.5 . . ?
C28 C31 H48 109.5 . . ?
H47 C31 H48 109.5 . . ?
C28 C31 H49 109.5 . . ?
H47 C31 H49 109.5 . . ?
H48 C31 H49 109.5 . . ?
C36 C32 C33 107.7(3) . . ?
C36 C32 C37 126.6(4) . . ?
C33 C32 C37 124.9(4) . . ?
C36 C32 Ru1 71.9(2) . . ?
C33 C32 Ru1 71.1(2) . . ?
C37 C32 Ru1 130.8(3) . . ?
C34 C33 C32 108.4(3) . . ?
C34 C33 C38 126.5(4) . . ?
C32 C33 C38 123.9(4) . . ?
C34 C33 Ru1 72.2(2) . . ?
C32 C33 Ru1 71.1(2) . . ?
C38 C33 Ru1 132.3(3) . . ?
C33 C34 C35 107.9(4) . . ?
C33 C34 C39 124.8(4) . . ?
C35 C34 C39 126.3(4) . . ?
C33 C34 Ru1 70.4(2) . . ?
C35 C34 Ru1 72.2(2) . . ?
C39 C34 Ru1 132.0(3) . . ?
C36 C35 C34 107.7(3) . . ?
C36 C35 C40 125.7(4) . . ?
C34 C35 C40 125.4(4) . . ?
C36 C35 Ru1 70.3(2) . . ?
C34 C35 Ru1 70.4(2) . . ?
C40 C35 Ru1 134.5(3) . . ?
C35 C36 C32 108.2(4) . . ?
C35 C36 C41 125.8(4) . . ?
C32 C36 C41 125.2(4) . . ?
C35 C36 Ru1 72.4(2) . . ?
C32 C36 Ru1 70.4(2) . . ?
C41 C36 Ru1 130.8(3) . . ?
C32 C37 H50 109.5 . . ?
C32 C37 H51 109.5 . . ?
H50 C37 H51 109.5 . . ?
C32 C37 H52 109.5 . . ?
H50 C37 H52 109.5 . . ?
H51 C37 H52 109.5 . . ?
C33 C38 H53 109.5 . . ?
C33 C38 H54 109.5 . . ?
H53 C38 H54 109.5 . . ?
C33 C38 H55 109.5 . . ?
H53 C38 H55 109.5 . . ?
H54 C38 H55 109.5 . . ?
C34 C39 H56 109.5 . . ?
C34 C39 H57 109.5 . . ?
H56 C39 H57 109.5 . . ?
C34 C39 H58 109.5 . . ?
H56 C39 H58 109.5 . . ?
H57 C39 H58 109.5 . . ?
C35 C40 H59 109.5 . . ?
C35 C40 H60 109.5 . . ?
H59 C40 H60 109.5 . . ?
C35 C40 H61 109.5 . . ?
H59 C40 H61 109.5 . . ?
H60 C40 H61 109.5 . . ?
C36 C41 H62 109.5 . . ?
C36 C41 H63 109.5 . . ?
H62 C41 H63 109.5 . . ?
C36 C41 H64 109.5 . . ?
H62 C41 H64 109.5 . . ?
H63 C41 H64 109.5 . . ?

_refine_diff_density_max         1.304
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.122

_shelxl_version_number           2013-4


_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
####################################################################### 
# 
# 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_masa7652
_database_code_depnum_ccdc_archive 'CCDC 1049297'
_audit_update_record             
;
2015-02-13 deposited with the CCDC.
2015-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H55 Cl Ru Si2 Sn'
_chemical_formula_weight         823.23

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'
Si Si 0.0817 0.0704 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   9.6555(12)
_cell_length_b                   18.470(2)
_cell_length_c                   21.490(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.698(3)
_cell_angle_gamma                90
_cell_volume                     3813.7(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4892
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      26.87

_exptl_crystal_description       needle
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_F_000             1688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.208
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24732
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.457
_diffrn_reflns_theta_max         26.496
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7894
_reflns_number_gt                6400
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0435P)²+7.9747P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7894
_refine_ls_number_parameters     394
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0447
_refine_ls_wR_factor_ref         0.1064
_refine_ls_wR_factor_gt          0.0990
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_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
Sn1 Sn 0.48261(3) 0.19666(2) 0.24185(2) 0.01834(9) Uani 1 1 d . . . . .
C1 C 0.5263(4) 0.2282(2) 0.14437(19) 0.0148(8) Uani 1 1 d . . . . .
C2 C 0.4770(4) 0.3006(2) 0.14076(19) 0.0143(8) Uani 1 1 d . . . . .
C3 C 0.4834(4) 0.3445(2) 0.19825(19) 0.0141(8) Uani 1 1 d . . . . .
C4 C 0.5415(4) 0.3142(2) 0.25525(18) 0.0130(8) Uani 1 1 d . . . . .
Cl1 Cl 0.64942(14) 0.11356(7) 0.29150(6) 0.0380(3) Uani 1 1 d . . . . .
Ru1 Ru 0.68701(3) 0.29174(2) 0.19107(2) 0.01170(9) Uani 1 1 d . . . . .
Si1 Si 0.50231(12) 0.15459(6) 0.08359(5) 0.0148(2) Uani 1 1 d . . . . .
C5 C 0.6366(5) 0.0826(2) 0.1017(2) 0.0266(11) Uani 1 1 d . . . . .
H1 H 0.6243 0.0450 0.0708 0.040 Uiso 1 1 calc R U . . .
H2 H 0.6266 0.0625 0.1422 0.040 Uiso 1 1 calc R U . . .
H3 H 0.7278 0.1032 0.1015 0.040 Uiso 1 1 calc R U . . .
C6 C 0.5170(5) 0.1898(2) 0.00260(19) 0.0207(9) Uani 1 1 d . . . . .
H4 H 0.4487 0.2269 -0.0070 0.031 Uiso 1 1 calc R U . . .
H5 H 0.5016 0.1510 -0.0269 0.031 Uiso 1 1 calc R U . . .
H6 H 0.6084 0.2095 0.0003 0.031 Uiso 1 1 calc R U . . .
C7 C 0.3244(5) 0.1076(2) 0.0829(2) 0.0191(9) Uani 1 1 d . . . . .
C8 C 0.2051(5) 0.1612(2) 0.0815(2) 0.0223(10) Uani 1 1 d . . . . .
H7 H 0.2161 0.1908 0.1184 0.033 Uiso 1 1 calc R U . . .
H8 H 0.1185 0.1354 0.0801 0.033 Uiso 1 1 calc R U . . .
H9 H 0.2051 0.1914 0.0451 0.033 Uiso 1 1 calc R U . . .
C9 C 0.3167(6) 0.0567(2) 0.1392(2) 0.0283(11) Uani 1 1 d . . . . .
H10 H 0.3915 0.0223 0.1406 0.042 Uiso 1 1 calc R U . . .
H11 H 0.2293 0.0315 0.1351 0.042 Uiso 1 1 calc R U . . .
H12 H 0.3245 0.0846 0.1771 0.042 Uiso 1 1 calc R U . . .
C10 C 0.3043(5) 0.0608(2) 0.0235(2) 0.0230(10) Uani 1 1 d . . . . .
H13 H 0.3792 0.0266 0.0237 0.034 Uiso 1 1 calc R U . . .
H14 H 0.3038 0.0913 -0.0127 0.034 Uiso 1 1 calc R U . . .
H15 H 0.2174 0.0354 0.0224 0.034 Uiso 1 1 calc R U . . .
C11 C 0.4238(5) 0.3367(2) 0.08007(19) 0.0159(9) Uani 1 1 d . . . . .
C12 C 0.2821(5) 0.3412(2) 0.0621(2) 0.0209(10) Uani 1 1 d . . . . .
H16 H 0.2193 0.3229 0.0882 0.025 Uiso 1 1 calc R U . . .
C13 C 0.2328(5) 0.3726(3) 0.0054(2) 0.0302(12) Uani 1 1 d . . . . .
H17 H 0.1376 0.3746 -0.0065 0.036 Uiso 1 1 calc R U . . .
C14 C 0.3257(6) 0.4010(3) -0.0333(2) 0.0353(13) Uani 1 1 d . . . . .
H18 H 0.2932 0.4218 -0.0714 0.042 Uiso 1 1 calc R U . . .
C15 C 0.4665(6) 0.3982(3) -0.0152(2) 0.0345(12) Uani 1 1 d . . . . .
H19 H 0.5289 0.4179 -0.0408 0.041 Uiso 1 1 calc R U . . .
C16 C 0.5161(5) 0.3661(2) 0.0412(2) 0.0255(10) Uani 1 1 d . . . . .
H20 H 0.6113 0.3644 0.0530 0.031 Uiso 1 1 calc R U . . .
C17 C 0.4329(4) 0.4217(2) 0.19171(18) 0.0146(8) Uani 1 1 d . . . . .
C18 C 0.2930(5) 0.4370(2) 0.1929(2) 0.0182(9) Uani 1 1 d . . . . .
H21 H 0.2305 0.3995 0.1974 0.022 Uiso 1 1 calc R U . . .
C19 C 0.2447(5) 0.5077(2) 0.1874(2) 0.0258(11) Uani 1 1 d . . . . .
H22 H 0.1510 0.5179 0.1895 0.031 Uiso 1 1 calc R U . . .
C20 C 0.3375(5) 0.5629(2) 0.1787(2) 0.0245(10) Uani 1 1 d . . . . .
H23 H 0.3054 0.6102 0.1742 0.029 Uiso 1 1 calc R U . . .
C21 C 0.4778(5) 0.5486(2) 0.1766(2) 0.0234(10) Uani 1 1 d . . . . .
H24 H 0.5396 0.5861 0.1710 0.028 Uiso 1 1 calc R U . . .
C22 C 0.5252(5) 0.4775(2) 0.18294(19) 0.0178(9) Uani 1 1 d . . . . .
H25 H 0.6192 0.4674 0.1813 0.021 Uiso 1 1 calc R U . . .
Si2 Si 0.54202(12) 0.35007(6) 0.33769(5) 0.0139(2) Uani 1 1 d . . . . .
C23 C 0.5707(5) 0.4499(2) 0.3402(2) 0.0211(10) Uani 1 1 d . . . . .
H26 H 0.4980 0.4735 0.3140 0.032 Uiso 1 1 calc R U . . .
H27 H 0.6590 0.4609 0.3256 0.032 Uiso 1 1 calc R U . . .
H28 H 0.5698 0.4668 0.3825 0.032 Uiso 1 1 calc R U . . .
C24 C 0.6829(5) 0.3038(2) 0.3887(2) 0.0212(10) Uani 1 1 d . . . . .
H29 H 0.6677 0.2525 0.3873 0.032 Uiso 1 1 calc R U . . .
H30 H 0.6821 0.3206 0.4309 0.032 Uiso 1 1 calc R U . . .
H31 H 0.7714 0.3146 0.3741 0.032 Uiso 1 1 calc R U . . .
C25 C 0.3729(5) 0.3311(2) 0.37548(19) 0.0172(9) Uani 1 1 d . . . . .
C26 C 0.3783(5) 0.3768(2) 0.4355(2) 0.0226(10) Uani 1 1 d . . . . .
H32 H 0.4585 0.3633 0.4631 0.034 Uiso 1 1 calc R U . . .
H33 H 0.2956 0.3684 0.4558 0.034 Uiso 1 1 calc R U . . .
H34 H 0.3841 0.4271 0.4250 0.034 Uiso 1 1 calc R U . . .
C27 C 0.3587(5) 0.2510(2) 0.3938(2) 0.0264(11) Uani 1 1 d . . . . .
H35 H 0.4390 0.2366 0.4209 0.040 Uiso 1 1 calc R U . . .
H36 H 0.3516 0.2215 0.3568 0.040 Uiso 1 1 calc R U . . .
H37 H 0.2766 0.2449 0.4151 0.040 Uiso 1 1 calc R U . . .
C28 C 0.2451(5) 0.3537(3) 0.3327(2) 0.0255(10) Uani 1 1 d . . . . .
H38 H 0.2535 0.4036 0.3213 0.038 Uiso 1 1 calc R U . . .
H39 H 0.1633 0.3474 0.3542 0.038 Uiso 1 1 calc R U . . .
H40 H 0.2378 0.3242 0.2957 0.038 Uiso 1 1 calc R U . . .
C29 C 0.8968(4) 0.2781(2) 0.24183(19) 0.0148(8) Uani 1 1 d . . . . .
C30 C 0.8881(4) 0.2365(2) 0.1850(2) 0.0163(9) Uani 1 1 d . . . . .
C31 C 0.8691(4) 0.2855(2) 0.1337(2) 0.0175(9) Uani 1 1 d . . . . .
C32 C 0.8636(4) 0.3569(2) 0.1581(2) 0.0178(9) Uani 1 1 d . . . . .
C33 C 0.8828(4) 0.3529(2) 0.22506(19) 0.0162(9) Uani 1 1 d . . . . .
C34 C 0.9393(5) 0.2462(2) 0.3049(2) 0.0177(9) Uani 1 1 d . . . . .
H41 H 0.9471 0.2840 0.3357 0.027 Uiso 1 1 calc R U . . .
H42 H 1.0275 0.2224 0.3043 0.027 Uiso 1 1 calc R U . . .
H43 H 0.8706 0.2117 0.3150 0.027 Uiso 1 1 calc R U . . .
C35 C 0.9229(5) 0.1573(2) 0.1845(2) 0.0196(9) Uani 1 1 d . . . . .
H44 H 0.9087 0.1392 0.1425 0.029 Uiso 1 1 calc R U . . .
H45 H 0.8637 0.1315 0.2103 0.029 Uiso 1 1 calc R U . . .
H46 H 1.0184 0.1504 0.2005 0.029 Uiso 1 1 calc R U . . .
C36 C 0.8719(5) 0.2662(2) 0.0659(2) 0.0224(10) Uani 1 1 d . . . . .
H47 H 0.8141 0.2993 0.0406 0.034 Uiso 1 1 calc R U . . .
H48 H 0.8378 0.2178 0.0589 0.034 Uiso 1 1 calc R U . . .
H49 H 0.9657 0.2692 0.0549 0.034 Uiso 1 1 calc R U . . .
C37 C 0.8671(5) 0.4252(2) 0.1208(2) 0.0216(10) Uani 1 1 d . . . . .
H50 H 0.9605 0.4343 0.1112 0.032 Uiso 1 1 calc R U . . .
H51 H 0.8356 0.4649 0.1446 0.032 Uiso 1 1 calc R U . . .
H52 H 0.8072 0.4202 0.0826 0.032 Uiso 1 1 calc R U . . .
C38 C 0.9007(5) 0.4161(2) 0.2680(2) 0.0187(9) Uani 1 1 d . . . . .
H53 H 0.8735 0.4028 0.3082 0.028 Uiso 1 1 calc R U . . .
H54 H 0.8437 0.4554 0.2512 0.028 Uiso 1 1 calc R U . . .
H55 H 0.9965 0.4308 0.2723 0.028 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
Sn1 C1 2.254(4) . ?
Sn1 C4 2.255(4) . ?
Sn1 Cl1 2.3973(13) . ?
Sn1 Ru1 2.9323(5) . ?
C1 C2 1.419(6) . ?
C1 Si1 1.884(4) . ?
C1 Ru1 2.117(4) . ?
C2 C3 1.474(6) . ?
C2 C11 1.508(6) . ?
C2 Ru1 2.208(4) . ?
C3 C4 1.412(5) . ?
C3 C17 1.508(5) . ?
C3 Ru1 2.214(4) . ?
C4 Si2 1.891(4) . ?
C4 Ru1 2.105(4) . ?
Ru1 C30 2.209(4) . ?
Ru1 C29 2.218(4) . ?
Ru1 C31 2.249(4) . ?
Ru1 C32 2.259(4) . ?
Ru1 C33 2.260(4) . ?
Si1 C5 1.871(5) . ?
Si1 C6 1.877(4) . ?
Si1 C7 1.923(4) . ?
C5 H1 0.9600 . ?
C5 H2 0.9600 . ?
C5 H3 0.9600 . ?
C6 H4 0.9600 . ?
C6 H5 0.9600 . ?
C6 H6 0.9600 . ?
C7 C8 1.518(6) . ?
C7 C10 1.537(6) . ?
C7 C9 1.540(6) . ?
C8 H7 0.9600 . ?
C8 H8 0.9600 . ?
C8 H9 0.9600 . ?
C9 H10 0.9600 . ?
C9 H11 0.9600 . ?
C9 H12 0.9600 . ?
C10 H13 0.9600 . ?
C10 H14 0.9600 . ?
C10 H15 0.9600 . ?
C11 C12 1.387(6) . ?
C11 C16 1.391(6) . ?
C12 C13 1.390(6) . ?
C12 H16 0.9300 . ?
C13 C14 1.386(8) . ?
C13 H17 0.9300 . ?
C14 C15 1.378(8) . ?
C14 H18 0.9300 . ?
C15 C16 1.390(6) . ?
C15 H19 0.9300 . ?
C16 H20 0.9300 . ?
C17 C18 1.383(6) . ?
C17 C22 1.388(6) . ?
C18 C19 1.388(6) . ?
C18 H21 0.9300 . ?
C19 C20 1.381(7) . ?
C19 H22 0.9300 . ?
C20 C21 1.385(7) . ?
C20 H23 0.9300 . ?
C21 C22 1.393(6) . ?
C21 H24 0.9300 . ?
C22 H25 0.9300 . ?
Si2 C23 1.865(4) . ?
Si2 C24 1.867(4) . ?
Si2 C25 1.926(5) . ?
C23 H26 0.9600 . ?
C23 H27 0.9600 . ?
C23 H28 0.9600 . ?
C24 H29 0.9600 . ?
C24 H30 0.9600 . ?
C24 H31 0.9600 . ?
C25 C28 1.522(6) . ?
C25 C26 1.538(6) . ?
C25 C27 1.541(6) . ?
C26 H32 0.9600 . ?
C26 H33 0.9600 . ?
C26 H34 0.9600 . ?
C27 H35 0.9600 . ?
C27 H36 0.9600 . ?
C27 H37 0.9600 . ?
C28 H38 0.9600 . ?
C28 H39 0.9600 . ?
C28 H40 0.9600 . ?
C29 C33 1.431(6) . ?
C29 C30 1.439(6) . ?
C29 C34 1.497(6) . ?
C30 C31 1.424(6) . ?
C30 C35 1.501(6) . ?
C31 C32 1.423(6) . ?
C31 C36 1.503(6) . ?
C32 C33 1.436(6) . ?
C32 C37 1.496(6) . ?
C33 C38 1.488(6) . ?
C34 H41 0.9600 . ?
C34 H42 0.9600 . ?
C34 H43 0.9600 . ?
C35 H44 0.9600 . ?
C35 H45 0.9600 . ?
C35 H46 0.9600 . ?
C36 H47 0.9600 . ?
C36 H48 0.9600 . ?
C36 H49 0.9600 . ?
C37 H50 0.9600 . ?
C37 H51 0.9600 . ?
C37 H52 0.9600 . ?
C38 H53 0.9600 . ?
C38 H54 0.9600 . ?
C38 H55 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sn1 C4 78.54(14) . . ?
C1 Sn1 Cl1 113.56(11) . . ?
C4 Sn1 Cl1 114.18(11) . . ?
C1 Sn1 Ru1 45.90(10) . . ?
C4 Sn1 Ru1 45.61(10) . . ?
Cl1 Sn1 Ru1 95.85(4) . . ?
C2 C1 Si1 128.7(3) . . ?
C2 C1 Ru1 74.4(2) . . ?
Si1 C1 Ru1 139.7(2) . . ?
C2 C1 Sn1 101.6(3) . . ?
Si1 C1 Sn1 115.8(2) . . ?
Ru1 C1 Sn1 84.20(14) . . ?
C1 C2 C3 119.1(4) . . ?
C1 C2 C11 123.2(4) . . ?
C3 C2 C11 117.6(3) . . ?
C1 C2 Ru1 67.4(2) . . ?
C3 C2 Ru1 70.7(2) . . ?
C11 C2 Ru1 132.3(3) . . ?
C4 C3 C2 119.2(3) . . ?
C4 C3 C17 123.6(4) . . ?
C2 C3 C17 117.1(3) . . ?
C4 C3 Ru1 66.8(2) . . ?
C2 C3 Ru1 70.3(2) . . ?
C17 C3 Ru1 133.7(3) . . ?
C3 C4 Si2 129.6(3) . . ?
C3 C4 Ru1 75.1(2) . . ?
Si2 C4 Ru1 138.0(2) . . ?
C3 C4 Sn1 101.4(3) . . ?
Si2 C4 Sn1 115.73(19) . . ?
Ru1 C4 Sn1 84.44(14) . . ?
C4 Ru1 C1 85.09(15) . . ?
C4 Ru1 C2 70.49(15) . . ?
C1 Ru1 C2 38.23(15) . . ?
C4 Ru1 C30 141.02(16) . . ?
C1 Ru1 C30 108.84(16) . . ?
C2 Ru1 C30 140.84(15) . . ?
C4 Ru1 C3 38.06(15) . . ?
C1 Ru1 C3 70.30(15) . . ?
C2 Ru1 C3 38.96(14) . . ?
C30 Ru1 C3 178.51(15) . . ?
C4 Ru1 C29 109.66(15) . . ?
C1 Ru1 C29 139.53(15) . . ?
C2 Ru1 C29 177.70(15) . . ?
C30 Ru1 C29 37.93(15) . . ?
C3 Ru1 C29 142.19(15) . . ?
C4 Ru1 C31 168.07(15) . . ?
C1 Ru1 C31 106.71(16) . . ?
C2 Ru1 C31 117.75(15) . . ?
C30 Ru1 C31 37.23(15) . . ?
C3 Ru1 C31 144.02(15) . . ?
C29 Ru1 C31 62.49(15) . . ?
C4 Ru1 C32 132.42(15) . . ?
C1 Ru1 C32 133.41(15) . . ?
C2 Ru1 C32 119.49(15) . . ?
C30 Ru1 C32 62.10(15) . . ?
C3 Ru1 C32 119.38(15) . . ?
C29 Ru1 C32 62.22(15) . . ?
C31 Ru1 C32 36.81(15) . . ?
C4 Ru1 C33 106.32(15) . . ?
C1 Ru1 C33 168.59(16) . . ?
C2 Ru1 C33 145.04(14) . . ?
C30 Ru1 C33 62.49(15) . . ?
C3 Ru1 C33 118.52(15) . . ?
C29 Ru1 C33 37.26(14) . . ?
C31 Ru1 C33 61.88(15) . . ?
C32 Ru1 C33 37.05(15) . . ?
C4 Ru1 Sn1 49.95(10) . . ?
C1 Ru1 Sn1 49.90(11) . . ?
C2 Ru1 Sn1 66.87(10) . . ?
C30 Ru1 Sn1 111.92(11) . . ?
C3 Ru1 Sn1 66.59(10) . . ?
C29 Ru1 Sn1 111.37(11) . . ?
C31 Ru1 Sn1 139.90(11) . . ?
C32 Ru1 Sn1 173.34(11) . . ?
C33 Ru1 Sn1 138.69(11) . . ?
C5 Si1 C6 109.0(2) . . ?
C5 Si1 C1 109.50(19) . . ?
C6 Si1 C1 112.16(19) . . ?
C5 Si1 C7 106.3(2) . . ?
C6 Si1 C7 107.40(19) . . ?
C1 Si1 C7 112.32(19) . . ?
Si1 C5 H1 109.5 . . ?
Si1 C5 H2 109.5 . . ?
H1 C5 H2 109.5 . . ?
Si1 C5 H3 109.5 . . ?
H1 C5 H3 109.5 . . ?
H2 C5 H3 109.5 . . ?
Si1 C6 H4 109.5 . . ?
Si1 C6 H5 109.5 . . ?
H4 C6 H5 109.5 . . ?
Si1 C6 H6 109.5 . . ?
H4 C6 H6 109.5 . . ?
H5 C6 H6 109.5 . . ?
C8 C7 C10 108.5(4) . . ?
C8 C7 C9 108.5(4) . . ?
C10 C7 C9 107.3(3) . . ?
C8 C7 Si1 112.4(3) . . ?
C10 C7 Si1 107.4(3) . . ?
C9 C7 Si1 112.5(3) . . ?
C7 C8 H7 109.5 . . ?
C7 C8 H8 109.5 . . ?
H7 C8 H8 109.5 . . ?
C7 C8 H9 109.5 . . ?
H7 C8 H9 109.5 . . ?
H8 C8 H9 109.5 . . ?
C7 C9 H10 109.5 . . ?
C7 C9 H11 109.5 . . ?
H10 C9 H11 109.5 . . ?
C7 C9 H12 109.5 . . ?
H10 C9 H12 109.5 . . ?
H11 C9 H12 109.5 . . ?
C7 C10 H13 109.5 . . ?
C7 C10 H14 109.5 . . ?
H13 C10 H14 109.5 . . ?
C7 C10 H15 109.5 . . ?
H13 C10 H15 109.5 . . ?
H14 C10 H15 109.5 . . ?
C12 C11 C16 118.8(4) . . ?
C12 C11 C2 120.6(4) . . ?
C16 C11 C2 120.6(4) . . ?
C11 C12 C13 120.8(5) . . ?
C11 C12 H16 119.6 . . ?
C13 C12 H16 119.6 . . ?
C14 C13 C12 119.9(5) . . ?
C14 C13 H17 120.1 . . ?
C12 C13 H17 120.1 . . ?
C15 C14 C13 119.7(4) . . ?
C15 C14 H18 120.2 . . ?
C13 C14 H18 120.2 . . ?
C14 C15 C16 120.5(5) . . ?
C14 C15 H19 119.8 . . ?
C16 C15 H19 119.8 . . ?
C15 C16 C11 120.3(5) . . ?
C15 C16 H20 119.8 . . ?
C11 C16 H20 119.8 . . ?
C18 C17 C22 119.5(4) . . ?
C18 C17 C3 119.9(4) . . ?
C22 C17 C3 120.6(4) . . ?
C17 C18 C19 120.7(4) . . ?
C17 C18 H21 119.6 . . ?
C19 C18 H21 119.6 . . ?
C20 C19 C18 119.3(4) . . ?
C20 C19 H22 120.4 . . ?
C18 C19 H22 120.4 . . ?
C19 C20 C21 120.9(4) . . ?
C19 C20 H23 119.5 . . ?
C21 C20 H23 119.5 . . ?
C20 C21 C22 119.3(4) . . ?
C20 C21 H24 120.3 . . ?
C22 C21 H24 120.3 . . ?
C17 C22 C21 120.3(4) . . ?
C17 C22 H25 119.9 . . ?
C21 C22 H25 119.9 . . ?
C23 Si2 C24 109.8(2) . . ?
C23 Si2 C4 111.14(19) . . ?
C24 Si2 C4 108.86(19) . . ?
C23 Si2 C25 107.3(2) . . ?
C24 Si2 C25 105.5(2) . . ?
C4 Si2 C25 114.08(18) . . ?
Si2 C23 H26 109.5 . . ?
Si2 C23 H27 109.5 . . ?
H26 C23 H27 109.5 . . ?
Si2 C23 H28 109.5 . . ?
H26 C23 H28 109.5 . . ?
H27 C23 H28 109.5 . . ?
Si2 C24 H29 109.5 . . ?
Si2 C24 H30 109.5 . . ?
H29 C24 H30 109.5 . . ?
Si2 C24 H31 109.5 . . ?
H29 C24 H31 109.5 . . ?
H30 C24 H31 109.5 . . ?
C28 C25 C26 108.3(4) . . ?
C28 C25 C27 109.2(4) . . ?
C26 C25 C27 108.0(3) . . ?
C28 C25 Si2 111.5(3) . . ?
C26 C25 Si2 107.1(3) . . ?
C27 C25 Si2 112.5(3) . . ?
C25 C26 H32 109.5 . . ?
C25 C26 H33 109.5 . . ?
H32 C26 H33 109.5 . . ?
C25 C26 H34 109.5 . . ?
H32 C26 H34 109.5 . . ?
H33 C26 H34 109.5 . . ?
C25 C27 H35 109.5 . . ?
C25 C27 H36 109.5 . . ?
H35 C27 H36 109.5 . . ?
C25 C27 H37 109.5 . . ?
H35 C27 H37 109.5 . . ?
H36 C27 H37 109.5 . . ?
C25 C28 H38 109.5 . . ?
C25 C28 H39 109.5 . . ?
H38 C28 H39 109.5 . . ?
C25 C28 H40 109.5 . . ?
H38 C28 H40 109.5 . . ?
H39 C28 H40 109.5 . . ?
C33 C29 C30 107.8(4) . . ?
C33 C29 C34 128.2(4) . . ?
C30 C29 C34 123.1(4) . . ?
C33 C29 Ru1 73.0(2) . . ?
C30 C29 Ru1 70.7(2) . . ?
C34 C29 Ru1 130.2(3) . . ?
C31 C30 C29 108.1(4) . . ?
C31 C30 C35 128.8(4) . . ?
C29 C30 C35 122.1(4) . . ?
C31 C30 Ru1 72.9(2) . . ?
C29 C30 Ru1 71.4(2) . . ?
C35 C30 Ru1 130.5(3) . . ?
C30 C31 C32 108.1(4) . . ?
C30 C31 C36 125.9(4) . . ?
C32 C31 C36 125.5(4) . . ?
C30 C31 Ru1 69.9(2) . . ?
C32 C31 Ru1 72.0(2) . . ?
C36 C31 Ru1 129.4(3) . . ?
C31 C32 C33 108.4(4) . . ?
C31 C32 C37 125.5(4) . . ?
C33 C32 C37 125.0(4) . . ?
C31 C32 Ru1 71.2(2) . . ?
C33 C32 Ru1 71.5(2) . . ?
C37 C32 Ru1 132.5(3) . . ?
C29 C33 C32 107.6(4) . . ?
C29 C33 C38 126.8(4) . . ?
C32 C33 C38 125.2(4) . . ?
C29 C33 Ru1 69.8(2) . . ?
C32 C33 Ru1 71.4(2) . . ?
C38 C33 Ru1 129.4(3) . . ?
C29 C34 H41 109.5 . . ?
C29 C34 H42 109.5 . . ?
H41 C34 H42 109.5 . . ?
C29 C34 H43 109.5 . . ?
H41 C34 H43 109.5 . . ?
H42 C34 H43 109.5 . . ?
C30 C35 H44 109.5 . . ?
C30 C35 H45 109.5 . . ?
H44 C35 H45 109.5 . . ?
C30 C35 H46 109.5 . . ?
H44 C35 H46 109.5 . . ?
H45 C35 H46 109.5 . . ?
C31 C36 H47 109.5 . . ?
C31 C36 H48 109.5 . . ?
H47 C36 H48 109.5 . . ?
C31 C36 H49 109.5 . . ?
H47 C36 H49 109.5 . . ?
H48 C36 H49 109.5 . . ?
C32 C37 H50 109.5 . . ?
C32 C37 H51 109.5 . . ?
H50 C37 H51 109.5 . . ?
C32 C37 H52 109.5 . . ?
H50 C37 H52 109.5 . . ?
H51 C37 H52 109.5 . . ?
C33 C38 H53 109.5 . . ?
C33 C38 H54 109.5 . . ?
H53 C38 H54 109.5 . . ?
C33 C38 H55 109.5 . . ?
H53 C38 H55 109.5 . . ?
H54 C38 H55 109.5 . . ?

_refine_diff_density_max         2.302
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.128

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_masa816
_database_code_depnum_ccdc_archive 'CCDC 1049354'
_audit_update_record             
;
2015-02-13 deposited with the CCDC.
2015-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H60 Ru Si2 Sn'
_chemical_formula_weight         816.84

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'
Si Si 0.0817 0.0704 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'

_cell_length_a                   17.7751(13)
_cell_length_b                   21.1737(16)
_cell_length_c                   10.5846(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3983.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5899
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      27.87

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_F_000             1688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    1.091
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_T_max  0.849
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            23832
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.151
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4013
_reflns_number_gt                3959
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²+20.0000P] 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         4013
_refine_ls_number_parameters     217
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0497
_refine_ls_wR_factor_ref         0.1228
_refine_ls_wR_factor_gt          0.1221
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_restrained_S_all      1.176
_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
Sn1 Sn 0.17246(2) 0.2500 0.57589(4) 0.01516(14) Uani 1 2 d S T P . .
Ru1 Ru 0.02500(3) 0.2500 0.48367(5) 0.01274(14) Uani 1 2 d S T P . .
C1 C 0.1176(2) 0.3170(2) 0.4533(4) 0.0155(9) Uani 1 1 d . . . . .
C2 C 0.1019(2) 0.2844(2) 0.3380(4) 0.0163(9) Uani 1 1 d . . . . .
C3 C 0.1648(4) 0.2500 0.7806(6) 0.0186(13) Uani 1 2 d S T P . .
H1 H 0.1371 0.2870 0.8079 0.022 Uiso 0.5 1 calc R U P . .
H2 H 0.1371 0.2130 0.8079 0.022 Uiso 0.5 1 calc R U P . .
C4 C 0.2427(4) 0.2500 0.8435(8) 0.0325(17) Uani 1 2 d S T P . .
H3 H 0.2669 0.2102 0.8284 0.049 Uiso 0.5 1 calc R U P . .
H4 H 0.2371 0.2564 0.9327 0.049 Uiso 0.5 1 calc R U P . .
H5 H 0.2727 0.2834 0.8085 0.049 Uiso 0.5 1 calc R U P . .
Si1 Si 0.13601(7) 0.40308(6) 0.47782(12) 0.0167(3) Uani 1 1 d . . . . .
C5 C 0.1057(3) 0.4274(2) 0.6401(5) 0.0278(11) Uani 1 1 d . . . . .
H6 H 0.0518 0.4303 0.6429 0.042 Uiso 1 1 calc R U . . .
H7 H 0.1272 0.4678 0.6602 0.042 Uiso 1 1 calc R U . . .
H8 H 0.1225 0.3966 0.7004 0.042 Uiso 1 1 calc R U . . .
C6 C 0.0861(3) 0.4558(2) 0.3625(5) 0.0276(11) Uani 1 1 d . . . . .
H9 H 0.1075 0.4504 0.2800 0.041 Uiso 1 1 calc R U . . .
H10 H 0.0915 0.4990 0.3884 0.041 Uiso 1 1 calc R U . . .
H11 H 0.0336 0.4449 0.3602 0.041 Uiso 1 1 calc R U . . .
C7 C 0.2414(3) 0.4223(2) 0.4679(5) 0.0201(10) Uani 1 1 d . . . . .
C8 C 0.2769(3) 0.3922(3) 0.3515(5) 0.0294(12) Uani 1 1 d . . . . .
H12 H 0.2515 0.4069 0.2771 0.044 Uiso 1 1 calc R U . . .
H13 H 0.2723 0.3471 0.3569 0.044 Uiso 1 1 calc R U . . .
H14 H 0.3291 0.4035 0.3473 0.044 Uiso 1 1 calc R U . . .
C9 C 0.2843(3) 0.3994(3) 0.5867(5) 0.0317(12) Uani 1 1 d . . . . .
H15 H 0.2808 0.3542 0.5927 0.048 Uiso 1 1 calc R U . . .
H16 H 0.2626 0.4182 0.6607 0.048 Uiso 1 1 calc R U . . .
H17 H 0.3362 0.4115 0.5804 0.048 Uiso 1 1 calc R U . . .
C10 C 0.2514(3) 0.4945(2) 0.4600(6) 0.0330(12) Uani 1 1 d . . . . .
H18 H 0.3040 0.5044 0.4544 0.050 Uiso 1 1 calc R U . . .
H19 H 0.2305 0.5138 0.5342 0.050 Uiso 1 1 calc R U . . .
H20 H 0.2260 0.5102 0.3864 0.050 Uiso 1 1 calc R U . . .
C11 C 0.0873(2) 0.3189(2) 0.2161(4) 0.0157(9) Uani 1 1 d . . . . .
C12 C 0.1465(2) 0.3309(2) 0.1341(4) 0.0169(9) Uani 1 1 d . . . . .
H21 H 0.1938 0.3143 0.1513 0.020 Uiso 1 1 calc R U . . .
C13 C 0.1360(3) 0.3674(2) 0.0271(4) 0.0209(10) Uani 1 1 d . . . . .
H22 H 0.1764 0.3755 -0.0263 0.025 Uiso 1 1 calc R U . . .
C14 C 0.0660(3) 0.3921(2) -0.0012(5) 0.0252(11) Uani 1 1 d . . . . .
H23 H 0.0594 0.4175 -0.0720 0.030 Uiso 1 1 calc R U . . .
C15 C 0.0060(3) 0.3785(3) 0.0770(5) 0.0298(12) Uani 1 1 d . . . . .
H24 H -0.0417 0.3938 0.0577 0.036 Uiso 1 1 calc R U . . .
C16 C 0.0169(3) 0.3420(3) 0.1847(5) 0.0253(11) Uani 1 1 d . . . . .
H25 H -0.0239 0.3330 0.2366 0.030 Uiso 1 1 calc R U . . .
C17 C -0.0529(3) 0.2834(2) 0.6319(5) 0.0237(10) Uani 1 1 d . . . . .
C18 C -0.0808(2) 0.3046(2) 0.5124(4) 0.0185(9) Uani 1 1 d . . . . .
C19 C -0.0983(3) 0.2500 0.4388(6) 0.0154(13) Uani 1 2 d S T P . .
C20 C -0.0402(3) 0.3236(3) 0.7475(5) 0.0358(14) Uani 1 1 d . . . . .
H26 H -0.0824 0.3196 0.8034 0.054 Uiso 1 1 calc R U . . .
H27 H -0.0346 0.3669 0.7226 0.054 Uiso 1 1 calc R U . . .
H28 H 0.0047 0.3098 0.7900 0.054 Uiso 1 1 calc R U . . .
C21 C -0.1002(3) 0.3715(2) 0.4790(6) 0.0287(12) Uani 1 1 d . . . . .
H29 H -0.1018 0.3759 0.3888 0.043 Uiso 1 1 calc R U . . .
H30 H -0.0628 0.3994 0.5131 0.043 Uiso 1 1 calc R U . . .
H31 H -0.1485 0.3820 0.5138 0.043 Uiso 1 1 calc R U . . .
C22 C -0.1405(4) 0.2500 0.3148(7) 0.0241(15) Uani 1 2 d S T P . .
H32 H -0.1125 0.2266 0.2530 0.036 Uiso 0.5 1 calc R U P . .
H33 H -0.1470 0.2927 0.2861 0.036 Uiso 0.5 1 calc R U P . .
H34 H -0.1889 0.2307 0.3264 0.036 Uiso 0.5 1 calc R U 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
Sn1 C1 2.155(5) 8_565 ?
Sn1 C1 2.155(5) . ?
Sn1 C3 2.171(6) . ?
Sn1 Ru1 2.7969(6) . ?
Ru1 C2 2.185(4) 8_565 ?
Ru1 C2 2.185(4) . ?
Ru1 C1 2.196(4) . ?
Ru1 C1 2.196(4) 8_565 ?
Ru1 C17 2.209(5) . ?
Ru1 C17 2.209(5) 8_565 ?
Ru1 C18 2.229(5) . ?
Ru1 C18 2.229(5) 8_565 ?
Ru1 C19 2.242(6) . ?
C1 C2 1.429(6) . ?
C1 Si1 1.871(5) . ?
C2 C2 1.458(9) 8_565 ?
C2 C11 1.505(6) . ?
C3 C4 1.535(10) . ?
C3 H1 0.9700 . ?
C3 H2 0.9700 . ?
C4 H3 0.9600 . ?
C4 H4 0.9600 . ?
C4 H5 0.9600 . ?
Si1 C5 1.872(5) . ?
Si1 C6 1.877(5) . ?
Si1 C7 1.920(5) . ?
C5 H6 0.9600 . ?
C5 H7 0.9600 . ?
C5 H8 0.9600 . ?
C6 H9 0.9600 . ?
C6 H10 0.9600 . ?
C6 H11 0.9600 . ?
C7 C8 1.523(7) . ?
C7 C10 1.541(7) . ?
C7 C9 1.549(7) . ?
C8 H12 0.9600 . ?
C8 H13 0.9600 . ?
C8 H14 0.9600 . ?
C9 H15 0.9600 . ?
C9 H16 0.9600 . ?
C9 H17 0.9600 . ?
C10 H18 0.9600 . ?
C10 H19 0.9600 . ?
C10 H20 0.9600 . ?
C11 C16 1.384(6) . ?
C11 C12 1.387(6) . ?
C12 C13 1.384(6) . ?
C12 H21 0.9300 . ?
C13 C14 1.382(7) . ?
C13 H22 0.9300 . ?
C14 C15 1.381(8) . ?
C14 H23 0.9300 . ?
C15 C16 1.390(7) . ?
C15 H24 0.9300 . ?
C16 H25 0.9300 . ?
C17 C17 1.412(10) 8_565 ?
C17 C18 1.432(7) . ?
C17 C20 1.508(7) . ?
C18 C19 1.429(6) . ?
C18 C21 1.500(7) . ?
C19 C18 1.429(6) 8_565 ?
C19 C22 1.512(9) . ?
C20 H26 0.9600 . ?
C20 H27 0.9600 . ?
C20 H28 0.9600 . ?
C21 H29 0.9600 . ?
C21 H30 0.9600 . ?
C21 H31 0.9600 . ?
C22 H32 0.9600 . ?
C22 H33 0.9600 . ?
C22 H34 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sn1 C1 82.3(2) 8_565 . ?
C1 Sn1 C3 124.94(15) 8_565 . ?
C1 Sn1 C3 124.94(15) . . ?
C1 Sn1 Ru1 50.65(11) 8_565 . ?
C1 Sn1 Ru1 50.65(11) . . ?
C3 Sn1 Ru1 106.85(17) . . ?
C2 Ru1 C2 39.0(2) 8_565 . ?
C2 Ru1 C1 69.11(16) 8_565 . ?
C2 Ru1 C1 38.07(16) . . ?
C2 Ru1 C1 38.07(16) 8_565 8_565 ?
C2 Ru1 C1 69.11(16) . 8_565 ?
C1 Ru1 C1 80.4(2) . 8_565 ?
C2 Ru1 C17 179.15(18) 8_565 . ?
C2 Ru1 C17 141.87(18) . . ?
C1 Ru1 C17 111.56(17) . . ?
C1 Ru1 C17 141.28(18) 8_565 . ?
C2 Ru1 C17 141.87(18) 8_565 8_565 ?
C2 Ru1 C17 179.15(18) . 8_565 ?
C1 Ru1 C17 141.28(18) . 8_565 ?
C1 Ru1 C17 111.56(17) 8_565 8_565 ?
C17 Ru1 C17 37.3(3) . 8_565 ?
C2 Ru1 C18 142.84(17) 8_565 . ?
C2 Ru1 C18 116.80(16) . . ?
C1 Ru1 C18 108.52(17) . . ?
C1 Ru1 C18 170.92(16) 8_565 . ?
C17 Ru1 C18 37.64(18) . . ?
C17 Ru1 C18 62.60(17) 8_565 . ?
C2 Ru1 C18 116.80(16) 8_565 8_565 ?
C2 Ru1 C18 142.84(17) . 8_565 ?
C1 Ru1 C18 170.92(16) . 8_565 ?
C1 Ru1 C18 108.52(17) 8_565 8_565 ?
C17 Ru1 C18 62.60(17) . 8_565 ?
C17 Ru1 C18 37.64(18) 8_565 8_565 ?
C18 Ru1 C18 62.5(2) . 8_565 ?
C2 Ru1 C19 117.48(19) 8_565 . ?
C2 Ru1 C19 117.48(19) . . ?
C1 Ru1 C19 134.55(14) . . ?
C1 Ru1 C19 134.55(14) 8_565 . ?
C17 Ru1 C19 62.48(19) . . ?
C17 Ru1 C19 62.48(19) 8_565 . ?
C18 Ru1 C19 37.26(14) . . ?
C18 Ru1 C19 37.26(14) 8_565 . ?
C2 Ru1 Sn1 70.15(12) 8_565 . ?
C2 Ru1 Sn1 70.15(12) . . ?
C1 Ru1 Sn1 49.35(12) . . ?
C1 Ru1 Sn1 49.35(12) 8_565 . ?
C17 Ru1 Sn1 109.85(12) . . ?
C17 Ru1 Sn1 109.85(12) 8_565 . ?
C18 Ru1 Sn1 138.01(12) . . ?
C18 Ru1 Sn1 138.01(12) 8_565 . ?
C19 Ru1 Sn1 171.81(16) . . ?
C2 C1 Si1 128.5(3) . . ?
C2 C1 Sn1 106.6(3) . . ?
Si1 C1 Sn1 118.6(2) . . ?
C2 C1 Ru1 70.6(2) . . ?
Si1 C1 Ru1 137.7(2) . . ?
Sn1 C1 Ru1 80.00(15) . . ?
C1 C2 C2 118.8(3) . 8_565 ?
C1 C2 C11 122.1(4) . . ?
C2 C2 C11 119.0(2) 8_565 . ?
C1 C2 Ru1 71.4(2) . . ?
C2 C2 Ru1 70.51(12) 8_565 . ?
C11 C2 Ru1 131.2(3) . . ?
C4 C3 Sn1 112.1(5) . . ?
C4 C3 H1 109.2 . . ?
Sn1 C3 H1 109.2 . . ?
C4 C3 H2 109.2 . . ?
Sn1 C3 H2 109.2 . . ?
H1 C3 H2 107.9 . . ?
C3 C4 H3 109.5 . . ?
C3 C4 H4 109.5 . . ?
H3 C4 H4 109.5 . . ?
C3 C4 H5 109.5 . . ?
H3 C4 H5 109.5 . . ?
H4 C4 H5 109.5 . . ?
C1 Si1 C5 110.2(2) . . ?
C1 Si1 C6 114.0(2) . . ?
C5 Si1 C6 107.3(2) . . ?
C1 Si1 C7 111.7(2) . . ?
C5 Si1 C7 105.8(2) . . ?
C6 Si1 C7 107.5(2) . . ?
Si1 C5 H6 109.5 . . ?
Si1 C5 H7 109.5 . . ?
H6 C5 H7 109.5 . . ?
Si1 C5 H8 109.5 . . ?
H6 C5 H8 109.5 . . ?
H7 C5 H8 109.5 . . ?
Si1 C6 H9 109.5 . . ?
Si1 C6 H10 109.5 . . ?
H9 C6 H10 109.5 . . ?
Si1 C6 H11 109.5 . . ?
H9 C6 H11 109.5 . . ?
H10 C6 H11 109.5 . . ?
C8 C7 C10 108.9(4) . . ?
C8 C7 C9 108.8(4) . . ?
C10 C7 C9 107.3(4) . . ?
C8 C7 Si1 111.1(3) . . ?
C10 C7 Si1 109.0(3) . . ?
C9 C7 Si1 111.7(3) . . ?
C7 C8 H12 109.5 . . ?
C7 C8 H13 109.5 . . ?
H12 C8 H13 109.5 . . ?
C7 C8 H14 109.5 . . ?
H12 C8 H14 109.5 . . ?
H13 C8 H14 109.5 . . ?
C7 C9 H15 109.5 . . ?
C7 C9 H16 109.5 . . ?
H15 C9 H16 109.5 . . ?
C7 C9 H17 109.5 . . ?
H15 C9 H17 109.5 . . ?
H16 C9 H17 109.5 . . ?
C7 C10 H18 109.5 . . ?
C7 C10 H19 109.5 . . ?
H18 C10 H19 109.5 . . ?
C7 C10 H20 109.5 . . ?
H18 C10 H20 109.5 . . ?
H19 C10 H20 109.5 . . ?
C16 C11 C12 118.0(4) . . ?
C16 C11 C2 122.2(4) . . ?
C12 C11 C2 119.6(4) . . ?
C13 C12 C11 120.8(4) . . ?
C13 C12 H21 119.6 . . ?
C11 C12 H21 119.6 . . ?
C14 C13 C12 120.7(4) . . ?
C14 C13 H22 119.7 . . ?
C12 C13 H22 119.7 . . ?
C15 C14 C13 119.1(5) . . ?
C15 C14 H23 120.4 . . ?
C13 C14 H23 120.4 . . ?
C14 C15 C16 120.0(5) . . ?
C14 C15 H24 120.0 . . ?
C16 C15 H24 120.0 . . ?
C11 C16 C15 121.3(5) . . ?
C11 C16 H25 119.4 . . ?
C15 C16 H25 119.4 . . ?
C17 C17 C18 108.3(3) 8_565 . ?
C17 C17 C20 124.4(3) 8_565 . ?
C18 C17 C20 126.2(5) . . ?
C17 C17 Ru1 71.36(14) 8_565 . ?
C18 C17 Ru1 71.9(3) . . ?
C20 C17 Ru1 131.5(3) . . ?
C19 C18 C17 107.6(4) . . ?
C19 C18 C21 125.9(4) . . ?
C17 C18 C21 125.8(5) . . ?
C19 C18 Ru1 71.9(3) . . ?
C17 C18 Ru1 70.4(3) . . ?
C21 C18 Ru1 130.7(3) . . ?
C18 C19 C18 108.1(6) . 8_565 ?
C18 C19 C22 125.5(3) . . ?
C18 C19 C22 125.5(3) 8_565 . ?
C18 C19 Ru1 70.9(3) . . ?
C18 C19 Ru1 70.9(3) 8_565 . ?
C22 C19 Ru1 132.0(4) . . ?
C17 C20 H26 109.5 . . ?
C17 C20 H27 109.5 . . ?
H26 C20 H27 109.5 . . ?
C17 C20 H28 109.5 . . ?
H26 C20 H28 109.5 . . ?
H27 C20 H28 109.5 . . ?
C18 C21 H29 109.5 . . ?
C18 C21 H30 109.5 . . ?
H29 C21 H30 109.5 . . ?
C18 C21 H31 109.5 . . ?
H29 C21 H31 109.5 . . ?
H30 C21 H31 109.5 . . ?
C19 C22 H32 109.5 . . ?
C19 C22 H33 109.5 . . ?
H32 C22 H33 109.5 . . ?
C19 C22 H34 109.5 . . ?
H32 C22 H34 109.5 . . ?
H33 C22 H34 109.5 . . ?

_refine_diff_density_max         0.837
_refine_diff_density_min         -1.458
_refine_diff_density_rms         0.116

_shelxl_version_number           2013-4

