# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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 
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data_rj190125Ru1
_database_code_depnum_ccdc_archive 'CCDC 2041511'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2020-10-30 deposited with the CCDC.	2021-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H49 I2 N2 P Ru Sn, 2(C6 H6)'
_chemical_formula_sum            'C56 H61 I2 N2 P Ru Sn'
_chemical_formula_weight         1266.59

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'
I I -0.4742 1.8119 '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'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   13.6053(8)
_cell_length_b                   18.8739(10)
_cell_length_c                   20.0434(12)
_cell_angle_alpha                85.037(3)
_cell_angle_beta                 79.518(3)
_cell_angle_gamma                85.220(3)
_cell_volume                     5030.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    865
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_F_000             2504
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.594
_exptl_crystal_size_mid          0.420
_exptl_crystal_size_min          0.129
_exptl_absorpt_coefficient_mu    2.095
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4623
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.619
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            199430
_diffrn_reflns_av_unetI/netI     0.1298
_diffrn_reflns_av_R_equivalents  0.1073
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.268
_diffrn_reflns_theta_max         33.697
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             35932
_reflns_number_gt                19899
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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 Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'

_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)+(0.0142P)²+159.3859P] 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     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_extinction_coef       0.00093(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         35932
_refine_ls_number_parameters     1038
_refine_ls_number_restraints     1127
_refine_ls_R_factor_all          0.1991
_refine_ls_R_factor_gt           0.1065
_refine_ls_wR_factor_ref         0.2249
_refine_ls_wR_factor_gt          0.1908
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.044
_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 0.59960(5) 0.47417(3) 0.74389(3) 0.01967(13) Uani 1 1 d . . . . .
I1 I 0.50461(6) 0.62726(4) 0.64302(4) 0.03661(18) Uani 1 1 d . . . . .
Ru1 Ru 0.61709(6) 0.61098(4) 0.74356(4) 0.02186(16) Uani 1 1 d . . . . .
P1 P 0.80370(18) 0.37689(13) 0.71358(13) 0.0241(5) Uani 1 1 d . . . . .
N1 N 0.4334(6) 0.4269(5) 0.7745(4) 0.0295(17) Uani 1 1 d . . . . .
C1' C 0.4059(7) 0.0995(5) 0.8469(5) 0.0204(16) Uani 1 1 d . . . . .
C1 C 0.5879(7) 0.4121(5) 0.6597(5) 0.0212(16) Uani 1 1 d . . . . .
Ru2 Ru 0.38980(6) -0.09734(4) 0.75071(4) 0.02183(16) Uani 1 1 d . . . . .
Sn2 Sn 0.39617(5) 0.03933(3) 0.76046(3) 0.01828(13) Uani 1 1 d . . . . .
I2 I 0.44281(5) 0.61468(4) 0.83647(4) 0.03652(18) Uani 1 1 d . . . . .
P2 P 0.18497(18) 0.13289(12) 0.79901(12) 0.0194(4) Uani 1 1 d . . . . .
N2 N 0.7432(8) 0.4906(5) 0.4990(5) 0.036(2) Uani 1 1 d . . . . .
C2' C 0.4713(7) 0.1529(5) 0.8308(5) 0.0253(18) Uani 1 1 d . . . . .
C2 C 0.5165(7) 0.3610(5) 0.6764(5) 0.0265(18) Uani 1 1 d . . . . .
I3 I 0.56505(6) -0.09438(5) 0.65981(4) 0.0450(2) Uani 1 1 d . . . . .
N3 N 0.5555(7) 0.0923(5) 0.7298(5) 0.0322(18) Uani 1 1 d . . . . .
C3' C 0.4873(9) 0.1951(6) 0.8802(5) 0.032(2) Uani 1 1 d . . . . .
H3' H 0.529511 0.233528 0.867893 0.039 Uiso 1 1 calc R U . . .
C3 C 0.4957(9) 0.3195(6) 0.6287(6) 0.034(2) Uani 1 1 d . . . . .
H3 H 0.446302 0.285816 0.641208 0.041 Uiso 1 1 calc R U . . .
N4 N 0.2555(8) 0.0141(6) 1.0071(5) 0.044(2) Uani 1 1 d . . . . .
I4 I 0.49813(5) -0.11792(4) 0.85311(4) 0.02997(16) Uani 1 1 d . . . . .
C4' C 0.4430(9) 0.1823(6) 0.9468(6) 0.035(2) Uani 1 1 d . . . . .
H4' H 0.457649 0.209797 0.980877 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5463(8) 0.3264(5) 0.5624(5) 0.0283(19) Uani 1 1 d . . . . .
H4 H 0.534075 0.296577 0.529368 0.034 Uiso 1 1 calc R U . . .
C5' C 0.3767(9) 0.1289(6) 0.9643(6) 0.035(2) Uani 1 1 d . . . . .
H5' H 0.344085 0.121059 1.010209 0.042 Uiso 1 1 calc R U . . .
C5 C 0.6157(8) 0.3783(5) 0.5453(5) 0.030(2) Uani 1 1 d . . . . .
H5 H 0.649520 0.384125 0.499506 0.036 Uiso 1 1 calc R U . . .
C6' C 0.3575(7) 0.0865(5) 0.9147(5) 0.0239(17) Uani 1 1 d . . . . .
C6 C 0.6374(7) 0.4217(5) 0.5923(5) 0.0216(16) Uani 1 1 d . . . . .
C7' C 0.5264(8) 0.1637(6) 0.7583(5) 0.031(2) Uani 1 1 d . . . . .
H7'A H 0.482866 0.192688 0.730289 0.037 Uiso 1 1 calc R U . . .
H7'B H 0.587178 0.189520 0.757421 0.037 Uiso 1 1 calc R U . . .
C7 C 0.4596(7) 0.3536(6) 0.7478(5) 0.0299(19) Uani 1 1 d . . . . .
H7A H 0.500872 0.324340 0.777218 0.036 Uiso 1 1 calc R U . . .
H7B H 0.397512 0.329406 0.748723 0.036 Uiso 1 1 calc R U . . .
C8' C 0.6022(10) 0.1047(7) 0.6579(6) 0.048(3) Uani 1 1 d . . . . .
H8'A H 0.552262 0.127812 0.632016 0.073 Uiso 1 1 calc R U . . .
H8'B H 0.627690 0.059014 0.639402 0.073 Uiso 1 1 calc R U . . .
H8'C H 0.657680 0.135527 0.654445 0.073 Uiso 1 1 calc R U . . .
C8 C 0.3631(8) 0.4684(6) 0.7335(6) 0.038(2) Uani 1 1 d . . . . .
H8A H 0.396603 0.475251 0.686045 0.057 Uiso 1 1 calc R U . . .
H8B H 0.343664 0.515015 0.751927 0.057 Uiso 1 1 calc R U . . .
H8C H 0.303253 0.442217 0.735843 0.057 Uiso 1 1 calc R U . . .
C9' C 0.6292(8) 0.0517(6) 0.7678(7) 0.042(3) Uani 1 1 d . . . . .
H9'A H 0.654830 0.008135 0.745197 0.062 Uiso 1 1 calc R U . . .
H9'B H 0.596370 0.039005 0.814475 0.062 Uiso 1 1 calc R U . . .
H9'C H 0.684936 0.081142 0.768554 0.062 Uiso 1 1 calc R U . . .
C9 C 0.3844(9) 0.4181(7) 0.8461(6) 0.043(3) Uani 1 1 d . . . . .
H9A H 0.369872 0.464961 0.864627 0.065 Uiso 1 1 calc R U . . .
H9B H 0.428830 0.388526 0.872180 0.065 Uiso 1 1 calc R U . . .
H9C H 0.321649 0.394988 0.849110 0.065 Uiso 1 1 calc R U . . .
C10 C 0.7157(7) 0.4748(5) 0.5720(5) 0.0257(18) Uani 1 1 d . . . . .
H10A H 0.690704 0.519734 0.593443 0.031 Uiso 1 1 calc R U . . .
H10B H 0.776561 0.456349 0.590259 0.031 Uiso 1 1 calc R U . . .
C10' C 0.2844(8) 0.0301(6) 0.9344(5) 0.029(2) Uani 1 1 d . . . . .
H10C H 0.223325 0.045489 0.915115 0.034 Uiso 1 1 calc R U . . .
H10D H 0.314037 -0.014151 0.913421 0.034 Uiso 1 1 calc R U . . .
C11 C 0.6627(11) 0.5353(7) 0.4720(6) 0.049(3) Uani 1 1 d . . . . .
H11A H 0.681085 0.542920 0.422464 0.073 Uiso 1 1 calc R U . . .
H11B H 0.653542 0.581358 0.492219 0.073 Uiso 1 1 calc R U . . .
H11C H 0.600117 0.511168 0.483474 0.073 Uiso 1 1 calc R U . . .
C11' C 0.1612(12) -0.0195(9) 1.0248(7) 0.067(4) Uani 1 1 d . . . . .
H11D H 0.106601 0.014467 1.014389 0.100 Uiso 1 1 calc R U . . .
H11E H 0.149097 -0.034430 1.073505 0.100 Uiso 1 1 calc R U . . .
H11F H 0.164147 -0.061308 0.998515 0.100 Uiso 1 1 calc R U . . .
C13 C 0.6379(8) 0.4110(5) 0.8348(5) 0.0281(19) Uani 1 1 d . . . . .
C13' C 0.3489(8) 0.1042(5) 0.6736(5) 0.0270(18) Uani 1 1 d . . . . .
C12 C 0.8370(11) 0.5252(8) 0.4828(7) 0.055(4) Uani 1 1 d . . . . .
H12A H 0.855480 0.533854 0.433340 0.082 Uiso 1 1 calc R U . . .
H12B H 0.889728 0.494433 0.500156 0.082 Uiso 1 1 calc R U . . .
H12C H 0.828970 0.570742 0.503956 0.082 Uiso 1 1 calc R U . . .
C12' C 0.3344(15) -0.0314(9) 1.0334(8) 0.076(5) Uani 1 1 d . . . . .
H12D H 0.344363 -0.076442 1.011405 0.114 Uiso 1 1 calc R U . . .
H12E H 0.314696 -0.041029 1.082682 0.114 Uiso 1 1 calc R U . . .
H12F H 0.396909 -0.007131 1.023814 0.114 Uiso 1 1 calc R U . . .
C15 C 0.7559(7) 0.3133(5) 0.7836(5) 0.0229(16) Uani 1 1 d . . . . .
C15' C 0.2295(7) 0.1989(5) 0.7303(5) 0.0225(16) Uani 1 1 d . . . . .
C14 C 0.6897(7) 0.3410(5) 0.8403(5) 0.0214(11) Uani 1 1 d . . . . .
C14' C 0.2940(7) 0.1727(5) 0.6727(5) 0.0214(11) Uani 1 1 d . . . . .
C16 C 0.7960(8) 0.2441(5) 0.7890(6) 0.029(2) Uani 1 1 d . . . . .
H16 H 0.837849 0.224764 0.750628 0.035 Uiso 1 1 calc R U . . .
C16' C 0.1901(8) 0.2681(5) 0.7272(6) 0.031(2) Uani 1 1 d . . . . .
H16' H 0.151799 0.286760 0.767079 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7759(9) 0.2012(6) 0.8506(6) 0.036(2) Uani 1 1 d . . . . .
H17 H 0.800135 0.152573 0.852987 0.043 Uiso 1 1 calc R U . . .
C17' C 0.2050(8) 0.3121(5) 0.6665(7) 0.038(2) Uani 1 1 d . . . . .
H17' H 0.180290 0.360648 0.665854 0.046 Uiso 1 1 calc R U . . .
C18 C 0.7215(10) 0.2305(6) 0.9063(6) 0.038(2) Uani 1 1 d . . . . .
H18 H 0.711151 0.202666 0.948451 0.046 Uiso 1 1 calc R U . . .
C18' C 0.2551(8) 0.2842(6) 0.6090(7) 0.041(2) Uani 1 1 d . . . . .
H18' H 0.259681 0.312731 0.567200 0.049 Uiso 1 1 calc R U . . .
C19 C 0.6803(9) 0.3009(5) 0.9028(5) 0.030(2) Uani 1 1 d . . . . .
C19' C 0.3009(8) 0.2142(6) 0.6088(5) 0.032(2) Uani 1 1 d . . . . .
C21 C 0.5873(11) 0.4018(6) 0.9579(6) 0.044(3) Uani 1 1 d . . . . .
H21 H 0.559897 0.424738 0.998237 0.053 Uiso 1 1 calc R U . . .
C21' C 0.3937(10) 0.1176(8) 0.5501(6) 0.051(3) Uani 1 1 d . . . . .
H21' H 0.423544 0.096684 0.509091 0.061 Uiso 1 1 calc R U . . .
C20 C 0.6243(11) 0.3315(7) 0.9620(6) 0.044(3) Uani 1 1 d . . . . .
H20 H 0.612473 0.303546 1.004039 0.052 Uiso 1 1 calc R U . . .
C20' C 0.3512(10) 0.1848(8) 0.5480(6) 0.052(3) Uani 1 1 d . . . . .
H20' H 0.354992 0.212378 0.505803 0.063 Uiso 1 1 calc R U . . .
C22 C 0.5903(8) 0.4390(6) 0.8947(5) 0.032(2) Uani 1 1 d . . . . .
H22 H 0.558131 0.485555 0.892554 0.038 Uiso 1 1 calc R U . . .
C22' C 0.3936(9) 0.0786(7) 0.6130(5) 0.040(3) Uani 1 1 d . . . . .
H22' H 0.426295 0.032151 0.613450 0.048 Uiso 1 1 calc R U . . .
C23 C 0.8568(7) 0.3196(6) 0.6453(5) 0.0275(18) Uani 1 1 d . . . . .
C23' C 0.0744(7) 0.1064(5) 0.7692(4) 0.0206(16) Uani 1 1 d . . . . .
C24 C 0.7920(9) 0.2806(6) 0.6196(6) 0.035(2) Uani 1 1 d . . . . .
H24 H 0.722881 0.282493 0.639290 0.042 Uiso 1 1 calc R U . . .
C24' C 0.0263(7) 0.0491(5) 0.8063(5) 0.0232(17) Uani 1 1 d . . . . .
H24' H 0.049336 0.027976 0.845902 0.028 Uiso 1 1 calc R U . . .
C25 C 0.8267(9) 0.2390(7) 0.5658(6) 0.040(2) Uani 1 1 d . . . . .
H25 H 0.780995 0.213709 0.547919 0.048 Uiso 1 1 calc R U . . .
C25' C -0.0549(8) 0.0226(6) 0.7857(6) 0.032(2) Uani 1 1 d . . . . .
H25' H -0.087049 -0.016686 0.810759 0.038 Uiso 1 1 calc R U . . .
C26 C 0.9278(11) 0.2336(8) 0.5374(6) 0.052(3) Uani 1 1 d . . . . .
H26 H 0.951773 0.205268 0.500104 0.062 Uiso 1 1 calc R U . . .
C26' C -0.0883(9) 0.0546(7) 0.7278(6) 0.043(3) Uani 1 1 d . . . . .
H26' H -0.144328 0.037454 0.713657 0.052 Uiso 1 1 calc R U . . .
C27 C 0.9928(10) 0.2706(9) 0.5647(6) 0.053(3) Uani 1 1 d . . . . .
H27 H 1.062552 0.265817 0.547227 0.064 Uiso 1 1 calc R U . . .
C27' C -0.0409(9) 0.1105(8) 0.6913(7) 0.049(3) Uani 1 1 d . . . . .
H27' H -0.063334 0.131092 0.651295 0.059 Uiso 1 1 calc R U . . .
C29 C 0.9136(7) 0.4037(5) 0.7423(5) 0.0236(17) Uani 1 1 d . . . . .
C29' C 0.1319(7) 0.1885(5) 0.8683(5) 0.0225(17) Uani 1 1 d . . . . .
C28 C 0.9584(8) 0.3140(7) 0.6166(6) 0.041(3) Uani 1 1 d . . . . .
H28 H 1.003998 0.340587 0.633133 0.050 Uiso 1 1 calc R U . . .
C28' C 0.0399(8) 0.1373(6) 0.7122(5) 0.034(2) Uani 1 1 d . . . . .
H28' H 0.071181 0.176974 0.687209 0.041 Uiso 1 1 calc R U . . .
C30 C 0.9441(8) 0.3771(5) 0.8031(6) 0.031(2) Uani 1 1 d . . . . .
H30 H 0.909216 0.340597 0.830881 0.037 Uiso 1 1 calc R U . . .
C30' C 0.1969(9) 0.2271(5) 0.8957(6) 0.032(2) Uani 1 1 d . . . . .
H30' H 0.266678 0.223841 0.877934 0.038 Uiso 1 1 calc R U . . .
C31 C 1.0266(9) 0.4046(6) 0.8229(7) 0.039(2) Uani 1 1 d . . . . .
H31 H 1.048110 0.386136 0.863927 0.047 Uiso 1 1 calc R U . . .
C31' C 0.1595(10) 0.2702(6) 0.9491(7) 0.045(3) Uani 1 1 d . . . . .
H31' H 0.203444 0.296849 0.967139 0.054 Uiso 1 1 calc R U . . .
C32 C 1.0759(8) 0.4577(6) 0.7832(7) 0.043(3) Uani 1 1 d . . . . .
H32 H 1.131739 0.475614 0.796983 0.052 Uiso 1 1 calc R U . . .
C32' C 0.0587(11) 0.2739(7) 0.9755(7) 0.049(3) Uani 1 1 d . . . . .
H32' H 0.033339 0.302680 1.012213 0.058 Uiso 1 1 calc R U . . .
C33 C 1.0463(9) 0.4861(6) 0.7234(8) 0.047(3) Uani 1 1 d . . . . .
H33 H 1.081033 0.523009 0.696093 0.056 Uiso 1 1 calc R U . . .
C33' C -0.0054(10) 0.2364(7) 0.9491(7) 0.050(3) Uani 1 1 d . . . . .
H33' H -0.075047 0.240130 0.967108 0.060 Uiso 1 1 calc R U . . .
C34 C 0.9645(8) 0.4592(5) 0.7044(7) 0.039(2) Uani 1 1 d . . . . .
H34 H 0.942410 0.479253 0.664119 0.047 Uiso 1 1 calc R U . . .
C34' C 0.0301(9) 0.1934(6) 0.8970(6) 0.036(2) Uani 1 1 d . . . . .
H34' H -0.015020 0.166614 0.880181 0.043 Uiso 1 1 calc R U . . .
C35 C 0.7181(8) 0.6288(6) 0.8167(5) 0.0297(19) Uani 1 1 d . . . . .
C35' C 0.3185(16) -0.1341(9) 0.6702(9) 0.072(3) Uani 1 1 d . . . . .
C36 C 0.7676(7) 0.5874(5) 0.7650(5) 0.0274(18) Uani 1 1 d . . . . .
H36 H 0.789031 0.536738 0.777387 0.033 Uiso 1 1 calc R U . . .
C36' C 0.2653(13) -0.0848(10) 0.6967(12) 0.080(4) Uani 1 1 d . . . . .
H36' H 0.248553 -0.044836 0.667725 0.096 Uiso 1 1 calc R U . . .
C37 C 0.7753(7) 0.6100(6) 0.6956(6) 0.0303(19) Uani 1 1 d . . . . .
H37 H 0.802940 0.576111 0.660015 0.036 Uiso 1 1 calc R U . . .
C37' C 0.2294(10) -0.0832(8) 0.7625(9) 0.075(4) Uani 1 1 d D . . . .
H37' H 0.194935 -0.037870 0.779969 0.090 Uiso 1 1 calc R U . . .
C38 C 0.7269(9) 0.6790(7) 0.6767(7) 0.040(2) Uani 1 1 d . . . . .
C38' C 0.2573(11) -0.1387(11) 0.8101(7) 0.076(3) Uani 1 1 d D . . . .
C39 C 0.6744(10) 0.7196(6) 0.7305(7) 0.043(2) Uani 1 1 d . . . . .
H39 H 0.628723 0.761510 0.719388 0.052 Uiso 1 1 calc R U . . .
C39' C 0.3226(9) -0.2006(7) 0.7785(7) 0.059(3) Uani 1 1 d D . . . .
H39' H 0.353417 -0.239592 0.806615 0.071 Uiso 1 1 calc R U . . .
C40 C 0.6707(8) 0.6947(6) 0.7972(7) 0.038(2) Uani 1 1 d . . . . .
H40 H 0.621296 0.719173 0.832578 0.046 Uiso 1 1 calc R U . . .
C40' C 0.3492(11) -0.1929(7) 0.7108(9) 0.057(3) Uani 1 1 d . . . . .
H40' H 0.405187 -0.225753 0.689284 0.068 Uiso 1 1 calc R U . . .
C41 C 0.7357(12) 0.7076(10) 0.6052(8) 0.068(5) Uani 1 1 d . . . . .
H41A H 0.743283 0.668042 0.575575 0.102 Uiso 1 1 calc R U . . .
H41B H 0.794406 0.735889 0.593055 0.102 Uiso 1 1 calc R U . . .
H41C H 0.675275 0.737794 0.599324 0.102 Uiso 1 1 calc R U . . .
C41' C 0.3744(18) -0.1500(10) 0.5895(11) 0.102(5) Uani 1 1 d D U . . .
H41' H 0.445931 -0.168477 0.586956 0.122 Uiso 1 1 calc R U . . .
C42 C 0.7280(13) 0.6036(9) 0.8893(6) 0.060(3) Uani 1 1 d . . . . .
H42 H 0.719747 0.551229 0.896482 0.072 Uiso 1 1 calc R U . . .
C42' C 0.3642(19) -0.0837(11) 0.5457(11) 0.112(6) Uani 1 1 d D U . . .
H42A H 0.370419 -0.095336 0.498379 0.168 Uiso 1 1 calc R U . . .
H42B H 0.416943 -0.052703 0.549492 0.168 Uiso 1 1 calc R U . . .
H42C H 0.298453 -0.059097 0.560325 0.168 Uiso 1 1 calc R U . . .
C43 C 0.8360(13) 0.6182(9) 0.8971(9) 0.070(4) Uani 1 1 d . . . . .
H43A H 0.884467 0.587341 0.868414 0.105 Uiso 1 1 calc R U . . .
H43B H 0.843627 0.608124 0.944738 0.105 Uiso 1 1 calc R U . . .
H43C H 0.847864 0.668208 0.883037 0.105 Uiso 1 1 calc R U . . .
C44A C 0.2226(18) -0.1428(12) 0.8844(7) 0.124(7) Uani 1 1 d D U . . .
H44A H 0.249585 -0.187623 0.904698 0.185 Uiso 1 1 calc R U . . .
H44B H 0.149246 -0.140776 0.894186 0.185 Uiso 1 1 calc R U . . .
H44C H 0.246009 -0.102570 0.903612 0.185 Uiso 1 1 calc R U . . .
C43' C 0.3130(19) -0.2019(13) 0.5673(13) 0.121(7) Uani 1 1 d D U . . .
H43D H 0.242606 -0.183631 0.574432 0.181 Uiso 1 1 calc R U . . .
H43E H 0.319569 -0.247528 0.593962 0.181 Uiso 1 1 calc R U . . .
H43F H 0.336330 -0.208719 0.518959 0.181 Uiso 1 1 calc R U . . .
C44 C 0.6585(14) 0.6406(12) 0.9428(9) 0.083(5) Uani 1 1 d . U . . .
H44D H 0.653039 0.691747 0.929547 0.124 Uiso 1 1 calc R U . . .
H44E H 0.684043 0.632836 0.985747 0.124 Uiso 1 1 calc R U . . .
H44F H 0.592334 0.621605 0.948713 0.124 Uiso 1 1 calc R U . . .
C45 C 0.7938(10) 0.3664(8) 0.3583(7) 0.050(3) Uani 1 1 d . . . . .
H45 H 0.727535 0.382794 0.377287 0.061 Uiso 1 1 calc R U . . .
C46 C 0.8660(11) 0.3594(9) 0.3987(8) 0.061(4) Uani 1 1 d . . . . .
H46 H 0.849671 0.369838 0.445122 0.073 Uiso 1 1 calc R U . . .
C47 C 0.9629(10) 0.3369(7) 0.3706(9) 0.057(3) Uani 1 1 d . . . . .
H47 H 1.013663 0.331590 0.397907 0.068 Uiso 1 1 calc R U . . .
C48 C 0.9863(11) 0.3220(7) 0.3027(10) 0.063(4) Uani 1 1 d . . . . .
H48 H 1.052656 0.305942 0.283505 0.076 Uiso 1 1 calc R U . . .
C49 C 0.9116(11) 0.3310(8) 0.2630(9) 0.067(4) Uani 1 1 d . . . . .
H49 H 0.928002 0.323468 0.215881 0.080 Uiso 1 1 calc R U . . .
C50 C 0.8140(10) 0.3505(6) 0.2912(7) 0.046(3) Uani 1 1 d . . . . .
H50 H 0.761986 0.352995 0.265058 0.055 Uiso 1 1 calc R U . . .
C51 C 1.0123(16) 0.1637(10) 0.2131(11) 0.080(4) Uani 1 1 d . U . . .
H51 H 0.943520 0.172913 0.231753 0.096 Uiso 1 1 calc R U . . .
C52 C 1.0369(16) 0.1643(11) 0.1503(11) 0.086(4) Uani 1 1 d . U . . .
H52 H 0.985514 0.173784 0.123742 0.104 Uiso 1 1 calc R U . . .
C53 C 1.1297(15) 0.1526(10) 0.1179(14) 0.096(5) Uani 1 1 d . . . . .
H53 H 1.145025 0.153722 0.069692 0.115 Uiso 1 1 calc R U . . .
C54 C 1.2038(14) 0.1385(9) 0.1574(13) 0.086(5) Uani 1 1 d . . . . .
H54 H 1.270409 0.128220 0.134705 0.103 Uiso 1 1 calc R U . . .
C55 C 1.1882(15) 0.1383(9) 0.2246(13) 0.091(5) Uani 1 1 d . . . . .
H55 H 1.242445 0.131102 0.248888 0.109 Uiso 1 1 calc R U . . .
C56 C 1.0844(18) 0.1495(12) 0.2604(12) 0.097(5) Uani 1 1 d . U . . .
H56 H 1.065855 0.147823 0.308517 0.116 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 2.172(9) . ?
Sn1 C13 2.209(10) . ?
Sn1 N1 2.454(8) . ?
Sn1 Ru1 2.6120(10) . ?
I1 Ru1 2.7265(10) . ?
Ru1 C36 2.170(10) . ?
Ru1 C37 2.191(10) . ?
Ru1 C40 2.226(10) . ?
Ru1 C38 2.229(11) . ?
Ru1 C39 2.231(11) . ?
Ru1 C35 2.247(10) . ?
Ru1 I2 2.7355(11) . ?
P1 C29 1.821(10) . ?
P1 C23 1.825(11) . ?
P1 C15 1.827(9) . ?
N1 C9 1.469(13) . ?
N1 C8 1.501(14) . ?
N1 C7 1.517(14) . ?
C1' C2' 1.380(13) . ?
C1' C6' 1.408(13) . ?
C1' Sn2 2.181(9) . ?
C1 C6 1.398(13) . ?
C1 C2 1.404(13) . ?
Ru2 C38' 2.137(12) . ?
Ru2 C37' 2.148(13) . ?
Ru2 C36' 2.157(15) . ?
Ru2 C40' 2.184(12) . ?
Ru2 C39' 2.206(13) . ?
Ru2 C35' 2.213(15) . ?
Ru2 Sn2 2.6135(10) . ?
Ru2 I4 2.7208(10) . ?
Ru2 I3 2.7261(11) . ?
Sn2 C13' 2.202(9) . ?
Sn2 N3 2.418(9) . ?
P2 C29' 1.820(9) . ?
P2 C15' 1.828(9) . ?
P2 C23' 1.837(10) . ?
N2 C12 1.453(15) . ?
N2 C10 1.455(13) . ?
N2 C11 1.478(16) . ?
C2' C3' 1.381(14) . ?
C2' C7' 1.513(14) . ?
C2 C3 1.367(15) . ?
C2 C7 1.500(14) . ?
N3 C8' 1.473(14) . ?
N3 C9' 1.491(14) . ?
N3 C7' 1.504(14) . ?
C3' C4' 1.372(16) . ?
C3' H3' 0.9500 . ?
C3 C4 1.381(15) . ?
C3 H3 0.9500 . ?
N4 C11' 1.451(16) . ?
N4 C10' 1.452(13) . ?
N4 C12' 1.463(19) . ?
C4' C5' 1.389(15) . ?
C4' H4' 0.9500 . ?
C4 C5 1.396(14) . ?
C4 H4 0.9500 . ?
C5' C6' 1.401(14) . ?
C5' H5' 0.9500 . ?
C5 C6 1.386(13) . ?
C5 H5 0.9500 . ?
C6' C10' 1.497(13) . ?
C6 C10 1.503(13) . ?
C7' H7'A 0.9900 . ?
C7' H7'B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8' H8'A 0.9800 . ?
C8' H8'B 0.9800 . ?
C8' H8'C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9' H9'A 0.9800 . ?
C9' H9'B 0.9800 . ?
C9' H9'C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10' H10C 0.9900 . ?
C10' H10D 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C13 C22 1.382(14) . ?
C13 C14 1.450(13) . ?
C13' C22' 1.365(15) . ?
C13' C14' 1.437(14) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C12' H12F 0.9800 . ?
C15 C16 1.377(13) . ?
C15 C14 1.423(14) . ?
C15' C16' 1.369(12) . ?
C15' C14' 1.417(14) . ?
C14 C19 1.397(13) . ?
C14' C19' 1.434(12) . ?
C16 C17 1.412(14) . ?
C16 H16 0.9500 . ?
C16' C17' 1.405(15) . ?
C16' H16' 0.9500 . ?
C17 C18 1.354(17) . ?
C17 H17 0.9500 . ?
C17' C18' 1.352(18) . ?
C17' H17' 0.9500 . ?
C18 C19 1.400(15) . ?
C18 H18 0.9500 . ?
C18' C19' 1.413(16) . ?
C18' H18' 0.9500 . ?
C19 C20 1.428(16) . ?
C19' C20' 1.419(19) . ?
C21 C20 1.381(17) . ?
C21 C22 1.390(15) . ?
C21 H21 0.9500 . ?
C21' C20' 1.35(2) . ?
C21' C22' 1.404(15) . ?
C21' H21' 0.9500 . ?
C20 H20 0.9500 . ?
C20' H20' 0.9500 . ?
C22 H22 0.9500 . ?
C22' H22' 0.9500 . ?
C23 C24 1.387(15) . ?
C23 C28 1.396(14) . ?
C23' C28' 1.378(13) . ?
C23' C24' 1.398(12) . ?
C24 C25 1.379(17) . ?
C24 H24 0.9500 . ?
C24' C25' 1.390(14) . ?
C24' H24' 0.9500 . ?
C25 C26 1.388(18) . ?
C25 H25 0.9500 . ?
C25' C26' 1.394(17) . ?
C25' H25' 0.9500 . ?
C26 C27 1.38(2) . ?
C26 H26 0.9500 . ?
C26' C27' 1.368(18) . ?
C26' H26' 0.9500 . ?
C27 C28 1.370(19) . ?
C27 H27 0.9500 . ?
C27' C28' 1.392(16) . ?
C27' H27' 0.9500 . ?
C29 C34 1.395(14) . ?
C29 C30 1.395(14) . ?
C29' C34' 1.399(15) . ?
C29' C30' 1.403(13) . ?
C28 H28 0.9500 . ?
C28' H28' 0.9500 . ?
C30 C31 1.409(15) . ?
C30 H30 0.9500 . ?
C30' C31' 1.396(15) . ?
C30' H30' 0.9500 . ?
C31 C32 1.367(17) . ?
C31 H31 0.9500 . ?
C31' C32' 1.375(19) . ?
C31' H31' 0.9500 . ?
C32 C33 1.38(2) . ?
C32 H32 0.9500 . ?
C32' C33' 1.370(17) . ?
C32' H32' 0.9500 . ?
C33 C34 1.386(17) . ?
C33 H33 0.9500 . ?
C33' C34' 1.371(15) . ?
C33' H33' 0.9500 . ?
C34 H34 0.9500 . ?
C34' H34' 0.9500 . ?
C35 C36 1.392(14) . ?
C35 C40 1.410(16) . ?
C35 C42 1.517(16) . ?
C35' C36' 1.23(3) . ?
C35' C40' 1.40(2) . ?
C35' C41' 1.70(3) . ?
C36 C37 1.408(15) . ?
C36 H36 1.0000 . ?
C36' C37' 1.32(2) . ?
C36' H36' 0.9500 . ?
C37 C38 1.460(16) . ?
C37 H37 1.0000 . ?
C37' C38' 1.43(2) . ?
C37' H37' 1.0000 . ?
C38 C39 1.425(19) . ?
C38 C41 1.475(18) . ?
C38' C44A 1.476(9) . ?
C38' C39' 1.52(2) . ?
C39 C40 1.372(18) . ?
C39 H39 1.0000 . ?
C39' C40' 1.34(2) . ?
C39' H39' 1.0000 . ?
C40 H40 1.0000 . ?
C40' H40' 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C41' C42' 1.476(10) . ?
C41' C43' 1.483(10) . ?
C41' H41' 1.0000 . ?
C42 C44 1.48(2) . ?
C42 C43 1.55(2) . ?
C42 H42 1.0000 . ?
C42' H42A 0.9800 . ?
C42' H42B 0.9800 . ?
C42' H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44A H44A 0.9800 . ?
C44A H44B 0.9800 . ?
C44A H44C 0.9800 . ?
C43' H43D 0.9800 . ?
C43' H43E 0.9800 . ?
C43' H43F 0.9800 . ?
C44 H44D 0.9800 . ?
C44 H44E 0.9800 . ?
C44 H44F 0.9800 . ?
C45 C46 1.38(2) . ?
C45 C50 1.375(19) . ?
C45 H45 0.9500 . ?
C46 C47 1.38(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.39(2) . ?
C47 H47 0.9500 . ?
C48 C49 1.39(2) . ?
C48 H48 0.9500 . ?
C49 C50 1.379(19) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.24(3) . ?
C51 C56 1.48(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.32(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.39(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.32(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.47(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?

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 C13 114.9(4) . . ?
C1 Sn1 N1 75.4(3) . . ?
C13 Sn1 N1 86.9(4) . . ?
C1 Sn1 Ru1 128.8(2) . . ?
C13 Sn1 Ru1 114.5(3) . . ?
N1 Sn1 Ru1 119.8(2) . . ?
C36 Ru1 C37 37.7(4) . . ?
C36 Ru1 C40 65.9(4) . . ?
C37 Ru1 C40 78.8(4) . . ?
C36 Ru1 C38 68.2(4) . . ?
C37 Ru1 C38 38.6(4) . . ?
C40 Ru1 C38 66.2(5) . . ?
C36 Ru1 C39 78.8(4) . . ?
C37 Ru1 C39 67.8(5) . . ?
C40 Ru1 C39 35.9(5) . . ?
C38 Ru1 C39 37.3(5) . . ?
C36 Ru1 C35 36.7(4) . . ?
C37 Ru1 C35 67.3(4) . . ?
C40 Ru1 C35 36.8(4) . . ?
C38 Ru1 C35 79.7(4) . . ?
C39 Ru1 C35 66.1(4) . . ?
C36 Ru1 Sn1 88.8(3) . . ?
C37 Ru1 Sn1 96.8(3) . . ?
C40 Ru1 Sn1 144.2(3) . . ?
C38 Ru1 Sn1 129.0(4) . . ?
C39 Ru1 Sn1 164.5(4) . . ?
C35 Ru1 Sn1 108.7(3) . . ?
C36 Ru1 I1 144.3(3) . . ?
C37 Ru1 I1 108.0(3) . . ?
C40 Ru1 I1 128.7(3) . . ?
C38 Ru1 I1 87.7(3) . . ?
C39 Ru1 I1 98.1(3) . . ?
C35 Ru1 I1 164.2(3) . . ?
Sn1 Ru1 I1 86.65(3) . . ?
C36 Ru1 I2 126.7(3) . . ?
C37 Ru1 I2 163.4(3) . . ?
C40 Ru1 I2 88.9(3) . . ?
C38 Ru1 I2 143.6(4) . . ?
C39 Ru1 I2 108.0(4) . . ?
C35 Ru1 I2 96.2(3) . . ?
Sn1 Ru1 I2 86.75(3) . . ?
I1 Ru1 I2 88.34(3) . . ?
C29 P1 C23 103.4(5) . . ?
C29 P1 C15 101.0(4) . . ?
C23 P1 C15 103.0(4) . . ?
C9 N1 C8 109.6(9) . . ?
C9 N1 C7 108.6(9) . . ?
C8 N1 C7 109.3(8) . . ?
C9 N1 Sn1 120.6(7) . . ?
C8 N1 Sn1 109.3(6) . . ?
C7 N1 Sn1 98.7(5) . . ?
C2' C1' C6' 119.7(9) . . ?
C2' C1' Sn2 113.2(7) . . ?
C6' C1' Sn2 127.0(7) . . ?
C6 C1 C2 119.0(9) . . ?
C6 C1 Sn1 127.2(7) . . ?
C2 C1 Sn1 113.7(7) . . ?
C38' Ru2 C37' 39.0(6) . . ?
C38' Ru2 C36' 67.8(7) . . ?
C37' Ru2 C36' 35.8(7) . . ?
C38' Ru2 C40' 67.7(6) . . ?
C37' Ru2 C40' 76.6(5) . . ?
C36' Ru2 C40' 63.2(7) . . ?
C38' Ru2 C39' 40.9(6) . . ?
C37' Ru2 C39' 69.6(5) . . ?
C36' Ru2 C39' 78.5(6) . . ?
C40' Ru2 C39' 35.4(5) . . ?
C38' Ru2 C35' 79.1(6) . . ?
C37' Ru2 C35' 62.4(7) . . ?
C36' Ru2 C35' 32.5(7) . . ?
C40' Ru2 C35' 37.1(6) . . ?
C39' Ru2 C35' 66.3(6) . . ?
C38' Ru2 Sn2 112.3(5) . . ?
C37' Ru2 Sn2 89.4(4) . . ?
C36' Ru2 Sn2 94.3(5) . . ?
C40' Ru2 Sn2 156.3(5) . . ?
C39' Ru2 Sn2 153.1(4) . . ?
C35' Ru2 Sn2 119.3(5) . . ?
C38' Ru2 I4 94.8(4) . . ?
C37' Ru2 I4 126.1(5) . . ?
C36' Ru2 I4 161.7(6) . . ?
C40' Ru2 I4 116.7(5) . . ?
C39' Ru2 I4 92.1(4) . . ?
C35' Ru2 I4 153.5(5) . . ?
Sn2 Ru2 I4 86.96(3) . . ?
C38' Ru2 I3 158.8(5) . . ?
C37' Ru2 I3 144.9(5) . . ?
C36' Ru2 I3 109.5(6) . . ?
C40' Ru2 I3 92.0(4) . . ?
C39' Ru2 I3 118.2(4) . . ?
C35' Ru2 I3 88.4(5) . . ?
Sn2 Ru2 I3 88.73(3) . . ?
I4 Ru2 I3 88.80(3) . . ?
C1' Sn2 C13' 114.5(4) . . ?
C1' Sn2 N3 75.4(3) . . ?
C13' Sn2 N3 87.4(3) . . ?
C1' Sn2 Ru2 131.2(2) . . ?
C13' Sn2 Ru2 112.7(3) . . ?
N3 Sn2 Ru2 119.1(2) . . ?
C29' P2 C15' 102.2(4) . . ?
C29' P2 C23' 103.6(4) . . ?
C15' P2 C23' 100.0(4) . . ?
C12 N2 C10 110.7(10) . . ?
C12 N2 C11 110.6(10) . . ?
C10 N2 C11 110.9(9) . . ?
C1' C2' C3' 120.4(10) . . ?
C1' C2' C7' 119.0(9) . . ?
C3' C2' C7' 120.6(9) . . ?
C3 C2 C1 121.6(10) . . ?
C3 C2 C7 119.6(9) . . ?
C1 C2 C7 118.8(9) . . ?
C8' N3 C9' 109.2(9) . . ?
C8' N3 C7' 108.0(9) . . ?
C9' N3 C7' 109.7(9) . . ?
C8' N3 Sn2 120.6(8) . . ?
C9' N3 Sn2 109.1(6) . . ?
C7' N3 Sn2 99.5(6) . . ?
C4' C3' C2' 120.8(10) . . ?
C4' C3' H3' 119.6 . . ?
C2' C3' H3' 119.6 . . ?
C2 C3 C4 120.4(10) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C11' N4 C10' 112.7(10) . . ?
C11' N4 C12' 109.8(12) . . ?
C10' N4 C12' 110.2(11) . . ?
C3' C4' C5' 119.7(10) . . ?
C3' C4' H4' 120.1 . . ?
C5' C4' H4' 120.1 . . ?
C3 C4 C5 118.2(9) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C4' C5' C6' 120.3(10) . . ?
C4' C5' H5' 119.8 . . ?
C6' C5' H5' 119.8 . . ?
C6 C5 C4 122.7(10) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C5' C6' C1' 119.0(9) . . ?
C5' C6' C10' 119.5(9) . . ?
C1' C6' C10' 121.5(9) . . ?
C5 C6 C1 118.2(9) . . ?
C5 C6 C10 120.7(9) . . ?
C1 C6 C10 121.0(8) . . ?
N3 C7' C2' 109.3(8) . . ?
N3 C7' H7'A 109.8 . . ?
C2' C7' H7'A 109.8 . . ?
N3 C7' H7'B 109.8 . . ?
C2' C7' H7'B 109.8 . . ?
H7'A C7' H7'B 108.3 . . ?
C2 C7 N1 109.6(8) . . ?
C2 C7 H7A 109.8 . . ?
N1 C7 H7A 109.8 . . ?
C2 C7 H7B 109.8 . . ?
N1 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N3 C8' H8'A 109.5 . . ?
N3 C8' H8'B 109.5 . . ?
H8'A C8' H8'B 109.5 . . ?
N3 C8' H8'C 109.5 . . ?
H8'A C8' H8'C 109.5 . . ?
H8'B C8' H8'C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9' H9'A 109.5 . . ?
N3 C9' H9'B 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
N3 C9' H9'C 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C6 114.4(8) . . ?
N2 C10 H10A 108.7 . . ?
C6 C10 H10A 108.7 . . ?
N2 C10 H10B 108.7 . . ?
C6 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
N4 C10' C6' 114.8(9) . . ?
N4 C10' H10C 108.6 . . ?
C6' C10' H10C 108.6 . . ?
N4 C10' H10D 108.6 . . ?
C6' C10' H10D 108.6 . . ?
H10C C10' H10D 107.5 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N4 C11' H11D 109.5 . . ?
N4 C11' H11E 109.5 . . ?
H11D C11' H11E 109.5 . . ?
N4 C11' H11F 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C22 C13 C14 117.0(9) . . ?
C22 C13 Sn1 112.5(7) . . ?
C14 C13 Sn1 129.6(7) . . ?
C22' C13' C14' 118.3(9) . . ?
C22' C13' Sn2 111.7(8) . . ?
C14' C13' Sn2 129.0(7) . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N4 C12' H12D 109.5 . . ?
N4 C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
N4 C12' H12F 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C16 C15 C14 119.3(9) . . ?
C16 C15 P1 122.1(8) . . ?
C14 C15 P1 117.4(7) . . ?
C16' C15' C14' 119.4(9) . . ?
C16' C15' P2 123.0(8) . . ?
C14' C15' P2 116.6(7) . . ?
C19 C14 C15 118.4(9) . . ?
C19 C14 C13 120.4(9) . . ?
C15 C14 C13 121.1(8) . . ?
C15' C14' C19' 118.8(9) . . ?
C15' C14' C13' 123.4(8) . . ?
C19' C14' C13' 117.7(9) . . ?
C15 C16 C17 121.0(11) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C15' C16' C17' 121.7(11) . . ?
C15' C16' H16' 119.2 . . ?
C17' C16' H16' 119.2 . . ?
C18 C17 C16 119.1(10) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C18' C17' C16' 119.0(10) . . ?
C18' C17' H17' 120.5 . . ?
C16' C17' H17' 120.5 . . ?
C17 C18 C19 121.2(10) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C17' C18' C19' 122.3(10) . . ?
C17' C18' H18' 118.9 . . ?
C19' C18' H18' 118.9 . . ?
C14 C19 C18 120.0(10) . . ?
C14 C19 C20 119.2(10) . . ?
C18 C19 C20 120.8(10) . . ?
C18' C19' C20' 122.0(10) . . ?
C18' C19' C14' 117.7(11) . . ?
C20' C19' C14' 120.3(10) . . ?
C20 C21 C22 119.8(11) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C20' C21' C22' 119.7(13) . . ?
C20' C21' H21' 120.1 . . ?
C22' C21' H21' 120.1 . . ?
C21 C20 C19 119.8(10) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C21' C20' C19' 120.1(10) . . ?
C21' C20' H20' 119.9 . . ?
C19' C20' H20' 119.9 . . ?
C13 C22 C21 122.8(10) . . ?
C13 C22 H22 118.6 . . ?
C21 C22 H22 118.6 . . ?
C13' C22' C21' 123.3(12) . . ?
C13' C22' H22' 118.4 . . ?
C21' C22' H22' 118.4 . . ?
C24 C23 C28 118.3(11) . . ?
C24 C23 P1 118.0(8) . . ?
C28 C23 P1 123.7(9) . . ?
C28' C23' C24' 119.4(9) . . ?
C28' C23' P2 124.3(7) . . ?
C24' C23' P2 116.2(7) . . ?
C25 C24 C23 120.7(11) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C25' C24' C23' 120.6(10) . . ?
C25' C24' H24' 119.7 . . ?
C23' C24' H24' 119.7 . . ?
C24 C25 C26 120.7(12) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C24' C25' C26' 118.9(10) . . ?
C24' C25' H25' 120.5 . . ?
C26' C25' H25' 120.5 . . ?
C27 C26 C25 118.4(13) . . ?
C27 C26 H26 120.8 . . ?
C25 C26 H26 120.8 . . ?
C27' C26' C25' 120.5(11) . . ?
C27' C26' H26' 119.8 . . ?
C25' C26' H26' 119.8 . . ?
C28 C27 C26 121.2(12) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C26' C27' C28' 120.6(12) . . ?
C26' C27' H27' 119.7 . . ?
C28' C27' H27' 119.7 . . ?
C34 C29 C30 118.1(10) . . ?
C34 C29 P1 117.5(8) . . ?
C30 C29 P1 124.1(7) . . ?
C34' C29' C30' 118.1(9) . . ?
C34' C29' P2 123.5(7) . . ?
C30' C29' P2 118.3(8) . . ?
C27 C28 C23 120.6(12) . . ?
C27 C28 H28 119.7 . . ?
C23 C28 H28 119.7 . . ?
C23' C28' C27' 120.0(11) . . ?
C23' C28' H28' 120.0 . . ?
C27' C28' H28' 120.0 . . ?
C29 C30 C31 119.8(10) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C31' C30' C29' 120.2(11) . . ?
C31' C30' H30' 119.9 . . ?
C29' C30' H30' 119.9 . . ?
C32 C31 C30 120.0(12) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32' C31' C30' 119.8(11) . . ?
C32' C31' H31' 120.1 . . ?
C30' C31' H31' 120.1 . . ?
C31 C32 C33 121.5(11) . . ?
C31 C32 H32 119.2 . . ?
C33 C32 H32 119.2 . . ?
C33' C32' C31' 120.5(11) . . ?
C33' C32' H32' 119.8 . . ?
C31' C32' H32' 119.8 . . ?
C32 C33 C34 118.2(11) . . ?
C32 C33 H33 120.9 . . ?
C34 C33 H33 120.9 . . ?
C32' C33' C34' 120.6(12) . . ?
C32' C33' H33' 119.7 . . ?
C34' C33' H33' 119.7 . . ?
C33 C34 C29 122.3(12) . . ?
C33 C34 H34 118.8 . . ?
C29 C34 H34 118.8 . . ?
C33' C34' C29' 120.8(11) . . ?
C33' C34' H34' 119.6 . . ?
C29' C34' H34' 119.6 . . ?
C36 C35 C40 117.3(10) . . ?
C36 C35 C42 117.8(11) . . ?
C40 C35 C42 124.6(11) . . ?
C36 C35 Ru1 68.7(5) . . ?
C40 C35 Ru1 70.8(6) . . ?
C42 C35 Ru1 136.9(8) . . ?
C36' C35' C40' 119.9(19) . . ?
C36' C35' C41' 134.9(19) . . ?
C40' C35' C41' 105.2(16) . . ?
C36' C35' Ru2 71.2(10) . . ?
C40' C35' Ru2 70.3(9) . . ?
C41' C35' Ru2 127.0(13) . . ?
C35 C36 C37 122.9(10) . . ?
C35 C36 Ru1 74.7(6) . . ?
C37 C36 Ru1 72.0(6) . . ?
C35 C36 H36 118.2 . . ?
C37 C36 H36 118.2 . . ?
Ru1 C36 H36 118.2 . . ?
C35' C36' C37' 125.0(19) . . ?
C35' C36' Ru2 76.2(11) . . ?
C37' C36' Ru2 71.7(10) . . ?
C35' C36' H36' 117.5 . . ?
C37' C36' H36' 117.5 . . ?
Ru2 C36' H36' 126.6 . . ?
C36 C37 C38 118.8(10) . . ?
C36 C37 Ru1 70.4(6) . . ?
C38 C37 Ru1 72.1(6) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
Ru1 C37 H37 120.2 . . ?
C36' C37' C38' 121.0(14) . . ?
C36' C37' Ru2 72.5(9) . . ?
C38' C37' Ru2 70.1(8) . . ?
C36' C37' H37' 118.8 . . ?
C38' C37' H37' 118.8 . . ?
Ru2 C37' H37' 118.8 . . ?
C39 C38 C37 117.4(11) . . ?
C39 C38 C41 120.8(13) . . ?
C37 C38 C41 121.8(13) . . ?
C39 C38 Ru1 71.4(7) . . ?
C37 C38 Ru1 69.3(6) . . ?
C41 C38 Ru1 132.8(9) . . ?
C37' C38' C44A 126.0(16) . . ?
C37' C38' C39' 114.9(10) . . ?
C44A C38' C39' 118.9(15) . . ?
C37' C38' Ru2 70.9(8) . . ?
C44A C38' Ru2 130.0(12) . . ?
C39' C38' Ru2 72.0(7) . . ?
C40 C39 C38 120.9(11) . . ?
C40 C39 Ru1 71.9(7) . . ?
C38 C39 Ru1 71.3(6) . . ?
C40 C39 H39 119.0 . . ?
C38 C39 H39 119.0 . . ?
Ru1 C39 H39 119.0 . . ?
C40' C39' C38' 114.9(13) . . ?
C40' C39' Ru2 71.4(7) . . ?
C38' C39' Ru2 67.1(7) . . ?
C40' C39' H39' 122.1 . . ?
C38' C39' H39' 122.1 . . ?
Ru2 C39' H39' 122.1 . . ?
C39 C40 C35 122.8(11) . . ?
C39 C40 Ru1 72.3(6) . . ?
C35 C40 Ru1 72.4(6) . . ?
C39 C40 H40 118.0 . . ?
C35 C40 H40 118.0 . . ?
Ru1 C40 H40 118.0 . . ?
C39' C40' C35' 124.2(15) . . ?
C39' C40' Ru2 73.2(8) . . ?
C35' C40' Ru2 72.6(8) . . ?
C39' C40' H40' 117.3 . . ?
C35' C40' H40' 117.3 . . ?
Ru2 C40' H40' 117.3 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C42' C41' C43' 107(2) . . ?
C42' C41' C35' 108.3(18) . . ?
C43' C41' C35' 105.4(17) . . ?
C42' C41' H41' 112.1 . . ?
C43' C41' H41' 112.1 . . ?
C35' C41' H41' 112.1 . . ?
C44 C42 C35 115.6(14) . . ?
C44 C42 C43 107.0(12) . . ?
C35 C42 C43 106.3(12) . . ?
C44 C42 H42 109.3 . . ?
C35 C42 H42 109.3 . . ?
C43 C42 H42 109.3 . . ?
C41' C42' H42A 109.5 . . ?
C41' C42' H42B 109.5 . . ?
H42A C42' H42B 109.5 . . ?
C41' C42' H42C 109.5 . . ?
H42A C42' H42C 109.5 . . ?
H42B C42' H42C 109.5 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C38' C44A H44A 109.5 . . ?
C38' C44A H44B 109.5 . . ?
H44A C44A H44B 109.5 . . ?
C38' C44A H44C 109.5 . . ?
H44A C44A H44C 109.5 . . ?
H44B C44A H44C 109.5 . . ?
C41' C43' H43D 109.5 . . ?
C41' C43' H43E 109.5 . . ?
H43D C43' H43E 109.5 . . ?
C41' C43' H43F 109.5 . . ?
H43D C43' H43F 109.5 . . ?
H43E C43' H43F 109.5 . . ?
C42 C44 H44D 109.5 . . ?
C42 C44 H44E 109.5 . . ?
H44D C44 H44E 109.5 . . ?
C42 C44 H44F 109.5 . . ?
H44D C44 H44F 109.5 . . ?
H44E C44 H44F 109.5 . . ?
C46 C45 C50 122.4(14) . . ?
C46 C45 H45 118.8 . . ?
C50 C45 H45 118.8 . . ?
C45 C46 C47 118.8(15) . . ?
C45 C46 H46 120.6 . . ?
C47 C46 H46 120.6 . . ?
C46 C47 C48 120.3(15) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C47 C48 C49 119.3(13) . . ?
C47 C48 H48 120.4 . . ?
C49 C48 H48 120.4 . . ?
C50 C49 C48 120.8(16) . . ?
C50 C49 H49 119.6 . . ?
C48 C49 H49 119.6 . . ?
C45 C50 C49 118.3(14) . . ?
C45 C50 H50 120.9 . . ?
C49 C50 H50 120.9 . . ?
C52 C51 C56 123(2) . . ?
C52 C51 H51 118.3 . . ?
C56 C51 H51 118.3 . . ?
C51 C52 C53 124(2) . . ?
C51 C52 H52 117.8 . . ?
C53 C52 H52 117.8 . . ?
C52 C53 C54 117(2) . . ?
C52 C53 H53 121.5 . . ?
C54 C53 H53 121.5 . . ?
C55 C54 C53 125(2) . . ?
C55 C54 H54 117.7 . . ?
C53 C54 H54 117.7 . . ?
C54 C55 C56 118(2) . . ?
C54 C55 H55 121.0 . . ?
C56 C55 H55 121.0 . . ?
C55 C56 C51 112(2) . . ?
C55 C56 H56 123.8 . . ?
C51 C56 H56 123.8 . . ?

_refine_diff_density_max         4.061
_refine_diff_density_min         -7.202
_refine_diff_density_rms         0.255




####################################################################### 
# 
# 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_rj170411Ru1
_database_code_depnum_ccdc_archive 'CCDC 2041512'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2020-10-30 deposited with the CCDC.	2021-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H65 Cl2 N2 O2 P Ru Sn'
_chemical_formula_weight         1119.73

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   9.5879(4)
_cell_length_b                   15.9384(7)
_cell_length_c                   17.1123(7)
_cell_angle_alpha                96.625(2)
_cell_angle_beta                 103.202(2)
_cell_angle_gamma                94.788(2)
_cell_volume                     2512.56(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    74530
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_F_000             1148
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.144
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.067
_exptl_absorpt_coefficient_mu    0.979
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5605
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.752
;


_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            74530
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.419
_diffrn_reflns_theta_max         27.553
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11568
_reflns_number_gt                10146
_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 Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_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)+(0.0194P)²+1.8270P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11568
_refine_ls_number_parameters     625
_refine_ls_number_restraints     582
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0242
_refine_ls_wR_factor_ref         0.0541
_refine_ls_wR_factor_gt          0.0516
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.074
_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 0.76555(2) 0.70647(2) 0.19675(2) 0.01263(4) Uani 1 1 d . . . . .
H1B H 0.904(2) 0.2078(13) 0.0515(12) 0.003(5) Uiso 1 1 d . . . . .
H1A H 0.836(4) 0.190(3) -0.012(2) 0.092(14) Uiso 1 1 d . . . . .
Ru1 Ru 0.64689(2) 0.83464(2) 0.14050(2) 0.00994(4) Uani 1 1 d . . . . .
Cl1 Cl 0.42854(5) 0.77473(3) 0.16782(3) 0.01923(9) Uani 1 1 d . . . . .
P1 P 0.69578(5) 0.88858(3) 0.27757(3) 0.01206(9) Uani 1 1 d . . . . .
O1 O 0.8453(2) 0.23611(13) 0.03005(15) 0.0507(5) Uani 1 1 d . . . . .
N1 N 1.03366(17) 0.74001(10) 0.21385(10) 0.0170(3) Uani 1 1 d . . . . .
C1 C 0.8416(2) 0.59183(11) 0.15223(11) 0.0155(4) Uani 1 1 d . . . . .
O2 O 0.8398(2) 0.05345(14) -0.05010(13) 0.0466(5) Uani 1 1 d . . . . .
H2B H 0.862(3) 0.010(2) -0.0707(18) 0.043(9) Uiso 1 1 d . . . . .
H2A H 0.911(4) 0.062(2) -0.001(2) 0.061(10) Uiso 1 1 d . . . . .
Cl2 Cl 1.05242(6) 0.11735(4) 0.12956(4) 0.03772(14) Uani 1 1 d . . . . .
N2 N 0.55056(17) 0.58083(10) 0.16686(9) 0.0158(3) Uani 1 1 d . . . . .
C2 C 0.9752(2) 0.59835(12) 0.13268(11) 0.0175(4) Uani 1 1 d . . . . .
C3 C 1.0289(2) 0.52562(14) 0.10405(13) 0.0240(4) Uani 1 1 d . . . . .
H3 H 1.120977 0.529802 0.091961 0.029 Uiso 1 1 calc R U . . .
C5 C 0.8166(2) 0.44003(13) 0.11354(12) 0.0231(4) Uani 1 1 d . . . . .
H5 H 0.762323 0.385880 0.106548 0.028 Uiso 1 1 calc R U . . .
C4 C 0.9482(2) 0.44694(14) 0.09313(13) 0.0270(5) Uani 1 1 d . . . . .
H4 H 0.983422 0.397626 0.071563 0.032 Uiso 1 1 calc R U . . .
C6 C 0.7631(2) 0.51225(12) 0.14436(11) 0.0175(4) Uani 1 1 d . . . . .
C7 C 1.0559(2) 0.68553(12) 0.14210(12) 0.0190(4) Uani 1 1 d . . . . .
H7A H 1.160072 0.680613 0.148630 0.023 Uiso 1 1 calc R U . . .
H7B H 1.021724 0.712123 0.092739 0.023 Uiso 1 1 calc R U . . .
C9 C 1.1166(2) 0.71176(14) 0.28828(12) 0.0247(4) Uani 1 1 d . . . . .
H9A H 1.088561 0.651087 0.287639 0.037 Uiso 1 1 calc R U . . .
H9B H 1.096427 0.744230 0.335875 0.037 Uiso 1 1 calc R U . . .
H9C H 1.219926 0.721234 0.290646 0.037 Uiso 1 1 calc R U . . .
C8 C 1.0892(2) 0.82903(12) 0.21240(13) 0.0229(4) Uani 1 1 d . . . . .
H8A H 1.189446 0.831543 0.207832 0.034 Uiso 1 1 calc R U . . .
H8B H 1.084567 0.863991 0.262564 0.034 Uiso 1 1 calc R U . . .
H8C H 1.030366 0.850559 0.165863 0.034 Uiso 1 1 calc R U . . .
C10 C 0.6278(2) 0.50498(12) 0.17424(12) 0.0195(4) Uani 1 1 d . . . . .
H10A H 0.563220 0.454666 0.142958 0.023 Uiso 1 1 calc R U . . .
H10B H 0.652704 0.495887 0.231818 0.023 Uiso 1 1 calc R U . . .
C11 C 0.4716(2) 0.57888(13) 0.08174(11) 0.0205(4) Uani 1 1 d . . . . .
H11A H 0.539639 0.576682 0.046843 0.031 Uiso 1 1 calc R U . . .
H11B H 0.422495 0.630174 0.076269 0.031 Uiso 1 1 calc R U . . .
H11C H 0.400195 0.528501 0.065573 0.031 Uiso 1 1 calc R U . . .
C12 C 0.4490(2) 0.57994(13) 0.21957(12) 0.0220(4) Uani 1 1 d . . . . .
H12A H 0.393465 0.628666 0.213421 0.033 Uiso 1 1 calc R U . . .
H12B H 0.502787 0.583426 0.276130 0.033 Uiso 1 1 calc R U . . .
H12C H 0.383191 0.527130 0.204290 0.033 Uiso 1 1 calc R U . . .
C13 C 0.7691(2) 0.69559(12) 0.32186(11) 0.0163(4) Uani 1 1 d . . . . .
C14 C 0.6900(2) 0.74454(12) 0.36843(11) 0.0171(4) Uani 1 1 d . . . . .
C15 C 0.6369(2) 0.82380(12) 0.35010(11) 0.0169(4) Uani 1 1 d . . . . .
C17 C 0.5144(3) 0.82434(15) 0.46051(14) 0.0349(6) Uani 1 1 d . . . . .
H17 H 0.449575 0.849200 0.488348 0.042 Uiso 1 1 calc R U . . .
C16 C 0.5491(2) 0.86025(14) 0.39495(13) 0.0257(4) Uani 1 1 d . . . . .
H16 H 0.510883 0.911148 0.381128 0.031 Uiso 1 1 calc R U . . .
C19 C 0.6620(2) 0.71299(13) 0.43932(12) 0.0227(4) Uani 1 1 d . . . . .
C18 C 0.5737(3) 0.75424(15) 0.48373(13) 0.0325(5) Uani 1 1 d . . . . .
H18 H 0.555699 0.732556 0.530365 0.039 Uiso 1 1 calc R U . . .
C20 C 0.7240(2) 0.64011(14) 0.46541(12) 0.0262(5) Uani 1 1 d . . . . .
H20 H 0.708429 0.621059 0.513658 0.031 Uiso 1 1 calc R U . . .
C21 C 0.8050(2) 0.59722(13) 0.42260(12) 0.0252(4) Uani 1 1 d . . . . .
H21 H 0.848357 0.549557 0.441501 0.030 Uiso 1 1 calc R U . . .
C22 C 0.8241(2) 0.62422(12) 0.34970(12) 0.0199(4) Uani 1 1 d . . . . .
H22 H 0.876681 0.592119 0.318585 0.024 Uiso 1 1 calc R U . . .
C23 C 0.6386(2) 0.79978(11) 0.00508(10) 0.0140(4) Uani 1 1 d . . . . .
C24 C 0.7750(2) 0.84376(12) 0.04822(11) 0.0147(4) Uani 1 1 d . . . . .
H24 H 0.855(2) 0.8199(14) 0.0440(13) 0.018(5) Uiso 1 1 d . . . . .
C25 C 0.7851(2) 0.92548(12) 0.09275(11) 0.0141(3) Uani 1 1 d . . . . .
H255 H 0.874(2) 0.9540(14) 0.1173(13) 0.016(5) Uiso 1 1 d . . . . .
C26 C 0.6598(2) 0.96702(11) 0.09459(11) 0.0150(4) Uani 1 1 d . . . . .
C27 C 0.5252(2) 0.92052(12) 0.05906(11) 0.0161(4) Uani 1 1 d . . . . .
H27 H 0.436(2) 0.9429(13) 0.0628(12) 0.016(5) Uiso 1 1 d . . . . .
C28 C 0.5160(2) 0.83748(12) 0.01589(11) 0.0153(4) Uani 1 1 d . . . . .
H28 H 0.425(2) 0.8073(14) -0.0047(13) 0.019(6) Uiso 1 1 d . . . . .
C29 C 0.6188(2) 0.71953(12) -0.05516(11) 0.0173(4) Uani 1 1 d . . . . .
H29 H 0.537671 0.680572 -0.046987 0.021 Uiso 1 1 calc R U . . .
C30 C 0.7507(2) 0.67167(13) -0.04800(13) 0.0242(4) Uani 1 1 d . . . . .
H30A H 0.729523 0.621585 -0.089568 0.036 Uiso 1 1 calc R U . . .
H30B H 0.775918 0.653620 0.005819 0.036 Uiso 1 1 calc R U . . .
H30C H 0.831734 0.708920 -0.055628 0.036 Uiso 1 1 calc R U . . .
C31 C 0.5750(3) 0.74484(14) -0.14029(12) 0.0294(5) Uani 1 1 d . . . . .
H31A H 0.558905 0.693977 -0.180708 0.044 Uiso 1 1 calc R U . . .
H31B H 0.651919 0.784623 -0.148827 0.044 Uiso 1 1 calc R U . . .
H31C H 0.485969 0.772109 -0.145805 0.044 Uiso 1 1 calc R U . . .
C32 C 0.6718(2) 1.05838(12) 0.13101(12) 0.0194(4) Uani 1 1 d . . . . .
H32A H 0.709560 1.094798 0.096410 0.029 Uiso 1 1 calc R U . . .
H32B H 0.737374 1.066911 0.185070 0.029 Uiso 1 1 calc R U . . .
H32C H 0.576399 1.073102 0.135332 0.029 Uiso 1 1 calc R U . . .
C33 C 0.8826(2) 0.92844(12) 0.33179(11) 0.0157(4) Uani 1 1 d . . . . .
C34 C 0.9549(2) 0.99321(12) 0.30282(12) 0.0196(4) Uani 1 1 d . . . . .
H34 H 0.907728 1.014634 0.255370 0.024 Uiso 1 1 calc R U . . .
C35 C 1.0948(2) 1.02674(13) 0.34245(13) 0.0247(4) Uani 1 1 d . . . . .
H35 H 1.141403 1.072176 0.323107 0.030 Uiso 1 1 calc R U . . .
C36 C 1.1667(2) 0.99419(15) 0.41007(14) 0.0322(5) Uani 1 1 d . . . . .
H36 H 1.263202 1.016296 0.436522 0.039 Uiso 1 1 calc R U . . .
C37 C 1.0970(2) 0.92936(15) 0.43873(13) 0.0315(5) Uani 1 1 d . . . . .
H37 H 1.146436 0.906451 0.484746 0.038 Uiso 1 1 calc R U . . .
C38 C 0.9550(2) 0.89722(13) 0.40086(12) 0.0229(4) Uani 1 1 d . . . . .
H38 H 0.907311 0.853827 0.422175 0.028 Uiso 1 1 calc R U . . .
C39 C 0.6021(2) 0.98356(12) 0.28942(11) 0.0145(4) Uani 1 1 d . . . . .
C40 C 0.4612(2) 0.98326(12) 0.24326(11) 0.0182(4) Uani 1 1 d . . . . .
H40 H 0.415676 0.934082 0.206630 0.022 Uiso 1 1 calc R U . . .
C41 C 0.3874(2) 1.05357(13) 0.25028(12) 0.0225(4) Uani 1 1 d . . . . .
H41 H 0.291586 1.052367 0.218844 0.027 Uiso 1 1 calc R U . . .
C42 C 0.4533(2) 1.12589(13) 0.30325(12) 0.0238(4) Uani 1 1 d . . . . .
H42 H 0.402729 1.174286 0.308067 0.029 Uiso 1 1 calc R U . . .
C43 C 0.5926(2) 1.12735(13) 0.34902(12) 0.0232(4) Uani 1 1 d . . . . .
H43 H 0.638104 1.177055 0.384905 0.028 Uiso 1 1 calc R U . . .
C44 C 0.6664(2) 1.05656(12) 0.34277(11) 0.0188(4) Uani 1 1 d . . . . .
H44 H 0.761507 1.057808 0.375118 0.023 Uiso 1 1 calc R U . . .
C45 C 1.0991(3) 0.71116(19) 0.55888(19) 0.0529(8) Uani 1 1 d . . . . .
H45 H 1.073209 0.708004 0.501529 0.064 Uiso 1 1 calc R U . . .
C46 C 1.0390(3) 0.76595(17) 0.60584(18) 0.0457(7) Uani 1 1 d . . . . .
H46 H 0.971217 0.800724 0.580713 0.055 Uiso 1 1 calc R U . . .
C47 C 1.0755(3) 0.77129(16) 0.68867(18) 0.0431(6) Uani 1 1 d . . . . .
H47 H 1.032988 0.809379 0.720731 0.052 Uiso 1 1 calc R U . . .
C48 C 1.1742(3) 0.72108(19) 0.7251(2) 0.0531(8) Uani 1 1 d . . . . .
H48 H 1.200185 0.724739 0.782463 0.064 Uiso 1 1 calc R U . . .
C49 C 1.2353(3) 0.66553(19) 0.6785(3) 0.0622(9) Uani 1 1 d . . . . .
H49 H 1.303206 0.630890 0.703827 0.075 Uiso 1 1 calc R U . . .
C50 C 1.1980(3) 0.66025(18) 0.5956(2) 0.0605(9) Uani 1 1 d . . . . .
H50 H 1.239861 0.621864 0.563364 0.073 Uiso 1 1 calc R U . . .
C51 C 0.3499(3) 0.52256(17) 0.40395(15) 0.0409(6) Uani 1 1 d . . . . .
H51 H 0.392897 0.573051 0.439345 0.049 Uiso 1 1 calc R U . . .
C52 C 0.4348(3) 0.46235(17) 0.38335(15) 0.0393(6) Uani 1 1 d . . . . .
H52 H 0.536166 0.471231 0.404897 0.047 Uiso 1 1 calc R U . . .
C53 C 0.3737(3) 0.38943(18) 0.33179(15) 0.0446(7) Uani 1 1 d . . . . .
H53 H 0.432536 0.347616 0.318318 0.053 Uiso 1 1 calc R U . . .
C54 C 0.2274(4) 0.3771(2) 0.29975(17) 0.0575(8) Uani 1 1 d . . . . .
H54 H 0.184949 0.327361 0.263090 0.069 Uiso 1 1 calc R U . . .
C55 C 0.1424(3) 0.4370(2) 0.3209(2) 0.0615(9) Uani 1 1 d . . . . .
H55 H 0.041088 0.428127 0.299153 0.074 Uiso 1 1 calc R U . . .
C56 C 0.2030(3) 0.50985(19) 0.37343(18) 0.0502(7) Uani 1 1 d . . . . .
H56 H 0.143836 0.550810 0.388357 0.060 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 2.1459(18) . ?
Sn1 C13 2.1606(18) . ?
Sn1 N1 2.5239(16) . ?
Sn1 Ru1 2.5953(2) . ?
Ru1 C24 2.2209(18) . ?
Ru1 C28 2.2213(18) . ?
Ru1 C25 2.2289(18) . ?
Ru1 C27 2.2674(18) . ?
Ru1 C23 2.3014(17) . ?
Ru1 P1 2.3293(5) . ?
Ru1 C26 2.3383(18) . ?
Ru1 Cl1 2.3936(5) . ?
P1 C39 1.8381(19) . ?
P1 C33 1.8404(19) . ?
P1 C15 1.8557(19) . ?
O1 H1B 0.80(2) . ?
O1 H1A 0.95(4) . ?
N1 C8 1.478(2) . ?
N1 C9 1.479(2) . ?
N1 C7 1.487(2) . ?
C1 C2 1.395(3) . ?
C1 C6 1.396(3) . ?
O2 H2B 0.81(3) . ?
O2 H2A 0.94(3) . ?
N2 C12 1.471(2) . ?
N2 C10 1.473(2) . ?
N2 C11 1.476(2) . ?
C2 C3 1.391(3) . ?
C2 C7 1.506(3) . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C5 C4 1.384(3) . ?
C5 C6 1.396(3) . ?
C5 H5 0.9500 . ?
C4 H4 0.9500 . ?
C6 C10 1.499(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C22 1.382(3) . ?
C13 C14 1.432(3) . ?
C14 C19 1.436(3) . ?
C14 C15 1.442(3) . ?
C15 C16 1.382(3) . ?
C17 C18 1.355(3) . ?
C17 C16 1.408(3) . ?
C17 H17 0.9500 . ?
C16 H16 0.9500 . ?
C19 C18 1.414(3) . ?
C19 C20 1.420(3) . ?
C18 H18 0.9500 . ?
C20 C21 1.357(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.411(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.403(3) . ?
C23 C24 1.426(3) . ?
C23 C29 1.517(2) . ?
C24 C25 1.415(3) . ?
C24 H24 0.90(2) . ?
C25 C26 1.424(3) . ?
C25 H255 0.92(2) . ?
C26 C27 1.401(3) . ?
C26 C32 1.501(3) . ?
C27 C28 1.425(3) . ?
C27 H27 0.97(2) . ?
C28 H28 0.93(2) . ?
C29 C30 1.519(3) . ?
C29 C31 1.532(3) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C38 1.395(3) . ?
C33 C34 1.396(3) . ?
C34 C35 1.388(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.381(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.393(3) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.395(3) . ?
C39 C40 1.400(3) . ?
C40 C41 1.382(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.387(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.383(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(3) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.369(4) . ?
C45 C50 1.388(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.371(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.377(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.378(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.374(5) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C56 1.375(4) . ?
C51 C52 1.375(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.373(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.373(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.375(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.379(5) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?

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 C13 104.84(7) . . ?
C1 Sn1 N1 73.47(6) . . ?
C13 Sn1 N1 97.67(6) . . ?
C1 Sn1 Ru1 138.76(5) . . ?
C13 Sn1 Ru1 115.75(5) . . ?
N1 Sn1 Ru1 106.59(4) . . ?
C24 Ru1 C28 65.67(7) . . ?
C24 Ru1 C25 37.09(7) . . ?
C28 Ru1 C25 77.60(7) . . ?
C24 Ru1 C27 77.57(7) . . ?
C28 Ru1 C27 37.00(7) . . ?
C25 Ru1 C27 65.07(7) . . ?
C24 Ru1 C23 36.70(7) . . ?
C28 Ru1 C23 36.09(7) . . ?
C25 Ru1 C23 66.13(6) . . ?
C27 Ru1 C23 65.66(7) . . ?
C24 Ru1 P1 132.11(5) . . ?
C28 Ru1 P1 147.49(5) . . ?
C25 Ru1 P1 102.64(5) . . ?
C27 Ru1 P1 113.04(5) . . ?
C23 Ru1 P1 168.45(5) . . ?
C24 Ru1 C26 65.61(7) . . ?
C28 Ru1 C26 65.01(7) . . ?
C25 Ru1 C26 36.24(7) . . ?
C27 Ru1 C26 35.37(7) . . ?
C23 Ru1 C26 76.86(6) . . ?
P1 Ru1 C26 95.66(5) . . ?
C24 Ru1 Cl1 145.73(5) . . ?
C28 Ru1 Cl1 85.98(5) . . ?
C25 Ru1 Cl1 156.19(5) . . ?
C27 Ru1 Cl1 91.47(5) . . ?
C23 Ru1 Cl1 109.23(5) . . ?
P1 Ru1 Cl1 82.110(17) . . ?
C26 Ru1 Cl1 120.63(5) . . ?
C24 Ru1 Sn1 94.70(5) . . ?
C28 Ru1 Sn1 126.99(5) . . ?
C25 Ru1 Sn1 116.49(5) . . ?
C27 Ru1 Sn1 163.97(5) . . ?
C23 Ru1 Sn1 99.75(5) . . ?
P1 Ru1 Sn1 82.609(13) . . ?
C26 Ru1 Sn1 151.78(5) . . ?
Cl1 Ru1 Sn1 87.163(13) . . ?
C39 P1 C33 102.05(8) . . ?
C39 P1 C15 102.23(8) . . ?
C33 P1 C15 101.82(9) . . ?
C39 P1 Ru1 108.96(6) . . ?
C33 P1 Ru1 119.11(6) . . ?
C15 P1 Ru1 120.07(6) . . ?
H1B O1 H1A 79(3) . . ?
C8 N1 C9 108.15(15) . . ?
C8 N1 C7 109.28(15) . . ?
C9 N1 C7 108.90(15) . . ?
C8 N1 Sn1 117.52(12) . . ?
C9 N1 Sn1 111.60(12) . . ?
C7 N1 Sn1 100.96(11) . . ?
C2 C1 C6 120.03(17) . . ?
C2 C1 Sn1 118.00(13) . . ?
C6 C1 Sn1 121.96(14) . . ?
H2B O2 H2A 99(3) . . ?
C12 N2 C10 108.47(15) . . ?
C12 N2 C11 110.13(15) . . ?
C10 N2 C11 109.25(15) . . ?
C3 C2 C1 119.91(18) . . ?
C3 C2 C7 121.94(18) . . ?
C1 C2 C7 118.14(17) . . ?
C4 C3 C2 120.00(19) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C5 C6 120.31(19) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C4 C3 120.25(19) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C5 C6 C1 119.42(19) . . ?
C5 C6 C10 120.95(18) . . ?
C1 C6 C10 119.50(17) . . ?
N1 C7 C2 110.54(16) . . ?
N1 C7 H7A 109.5 . . ?
C2 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C10 C6 112.81(15) . . ?
N2 C10 H10A 109.0 . . ?
C6 C10 H10A 109.0 . . ?
N2 C10 H10B 109.0 . . ?
C6 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C22 C13 C14 119.20(17) . . ?
C22 C13 Sn1 115.29(14) . . ?
C14 C13 Sn1 123.76(13) . . ?
C13 C14 C19 117.82(17) . . ?
C13 C14 C15 125.03(17) . . ?
C19 C14 C15 117.15(18) . . ?
C16 C15 C14 119.24(17) . . ?
C16 C15 P1 116.12(15) . . ?
C14 C15 P1 124.22(14) . . ?
C18 C17 C16 119.8(2) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C15 C16 C17 122.1(2) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C18 C19 C20 119.59(19) . . ?
C18 C19 C14 120.52(19) . . ?
C20 C19 C14 119.89(19) . . ?
C17 C18 C19 120.7(2) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C21 C20 C19 121.11(19) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C20 C21 C22 119.22(19) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C13 C22 C21 122.46(19) . . ?
C13 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C28 C23 C24 116.72(16) . . ?
C28 C23 C29 118.72(16) . . ?
C24 C23 C29 124.41(17) . . ?
C28 C23 Ru1 68.84(10) . . ?
C24 C23 Ru1 68.58(10) . . ?
C29 C23 Ru1 137.42(13) . . ?
C25 C24 C23 120.97(17) . . ?
C25 C24 Ru1 71.76(10) . . ?
C23 C24 Ru1 74.72(11) . . ?
C25 C24 H24 120.4(14) . . ?
C23 C24 H24 118.5(14) . . ?
Ru1 C24 H24 129.2(14) . . ?
C24 C25 C26 121.07(17) . . ?
C24 C25 Ru1 71.15(10) . . ?
C26 C25 Ru1 76.07(11) . . ?
C24 C25 H255 119.3(14) . . ?
C26 C25 H255 119.4(13) . . ?
Ru1 C25 H255 129.5(13) . . ?
C27 C26 C25 117.76(17) . . ?
C27 C26 C32 121.16(17) . . ?
C25 C26 C32 121.04(17) . . ?
C27 C26 Ru1 69.55(10) . . ?
C25 C26 Ru1 67.69(10) . . ?
C32 C26 Ru1 136.50(13) . . ?
C26 C27 C28 120.41(17) . . ?
C26 C27 Ru1 75.08(10) . . ?
C28 C27 Ru1 69.74(10) . . ?
C26 C27 H27 121.9(13) . . ?
C28 C27 H27 117.7(13) . . ?
Ru1 C27 H27 127.1(13) . . ?
C23 C28 C27 122.30(17) . . ?
C23 C28 Ru1 75.07(10) . . ?
C27 C28 Ru1 73.26(10) . . ?
C23 C28 H28 119.7(14) . . ?
C27 C28 H28 118.0(14) . . ?
Ru1 C28 H28 123.2(13) . . ?
C23 C29 C30 114.72(16) . . ?
C23 C29 C31 107.48(16) . . ?
C30 C29 C31 109.83(17) . . ?
C23 C29 H29 108.2 . . ?
C30 C29 H29 108.2 . . ?
C31 C29 H29 108.2 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C26 C32 H32A 109.5 . . ?
C26 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C26 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C38 C33 C34 118.42(18) . . ?
C38 C33 P1 123.01(15) . . ?
C34 C33 P1 118.57(14) . . ?
C35 C34 C33 120.86(19) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C36 C35 C34 120.2(2) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C37 C36 C35 119.5(2) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 C38 120.6(2) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C37 C38 C33 120.3(2) . . ?
C37 C38 H38 119.8 . . ?
C33 C38 H38 119.8 . . ?
C44 C39 C40 118.39(17) . . ?
C44 C39 P1 122.43(14) . . ?
C40 C39 P1 119.19(14) . . ?
C41 C40 C39 120.89(18) . . ?
C41 C40 H40 119.6 . . ?
C39 C40 H40 119.6 . . ?
C40 C41 C42 119.99(19) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C43 C42 C41 119.84(19) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C42 C43 C44 120.29(19) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C39 120.60(19) . . ?
C43 C44 H44 119.7 . . ?
C39 C44 H44 119.7 . . ?
C46 C45 C50 119.6(3) . . ?
C46 C45 H45 120.2 . . ?
C50 C45 H45 120.2 . . ?
C45 C46 C47 120.9(3) . . ?
C45 C46 H46 119.6 . . ?
C47 C46 H46 119.6 . . ?
C46 C47 C48 119.6(3) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 H47 120.2 . . ?
C47 C48 C49 120.2(3) . . ?
C47 C48 H48 119.9 . . ?
C49 C48 H48 119.9 . . ?
C50 C49 C48 120.0(3) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C45 119.8(3) . . ?
C49 C50 H50 120.1 . . ?
C45 C50 H50 120.1 . . ?
C56 C51 C52 120.1(3) . . ?
C56 C51 H51 119.9 . . ?
C52 C51 H51 119.9 . . ?
C53 C52 C51 120.3(3) . . ?
C53 C52 H52 119.8 . . ?
C51 C52 H52 119.8 . . ?
C54 C53 C52 119.8(3) . . ?
C54 C53 H53 120.1 . . ?
C52 C53 H53 120.1 . . ?
C53 C54 C55 119.8(3) . . ?
C53 C54 H54 120.1 . . ?
C55 C54 H54 120.1 . . ?
C54 C55 C56 120.6(3) . . ?
C54 C55 H55 119.7 . . ?
C56 C55 H55 119.7 . . ?
C51 C56 C55 119.3(3) . . ?
C51 C56 H56 120.4 . . ?
C55 C56 H56 120.4 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1 H1B Cl2 0.80(2) 2.41(2) 3.202(2) 171(2) . yes
O1 H1A O2 0.95(4) 2.20(4) 3.063(3) 149(3) . yes
O2 H2B Cl2 0.81(3) 2.45(3) 3.253(2) 176(3) 2_755 yes
O2 H2A Cl2 0.94(3) 2.36(3) 3.273(2) 163(3) . yes

_refine_diff_density_max         0.434
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.075



####################################################################### 
# 
# 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_rj190118Ru1
_database_code_depnum_ccdc_archive 'CCDC 2041513'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2020-10-30 deposited with the CCDC.	2021-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H50 Cl N2 P Ru Sn'
_chemical_formula_weight         893.04

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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -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, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   32.4751(11)
_cell_length_b                   11.7571(4)
_cell_length_c                   10.4836(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4002.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    52302
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_F_000             1816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.234
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.141
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6598
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.883
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            52302
_diffrn_reflns_av_unetI/netI     0.0707
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.558
_diffrn_reflns_theta_max         31.968
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.775
_diffrn_reflns_point_group_measured_fraction_full 0.935
_reflns_number_total             10755
_reflns_number_gt                8611
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.607
_reflns_Friedel_fraction_max     0.615
_reflns_Friedel_fraction_full    0.863

_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 Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'


_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)+(0.0159P)²+2.9958P] 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_abs_structure_details 
;
 Flack x determined using 2877 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.009(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         10755
_refine_ls_number_parameters     460
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0412
_refine_ls_wR_factor_ref         0.0594
_refine_ls_wR_factor_gt          0.0546
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.003
_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 0.65164(2) 0.73371(2) 0.41054(3) 0.01429(6) Uani 1 1 d . . . . .
Ru1 Ru 0.63390(2) 0.52308(2) 0.42951(3) 0.01401(7) Uani 1 1 d . . . . .
Cl1 Cl 0.70509(3) 0.47919(9) 0.49599(10) 0.0199(2) Uani 1 1 d . . . . .
P1 P 0.62404(3) 0.57330(9) 0.63790(11) 0.0132(2) Uani 1 1 d . . . . .
N1 N 0.71980(12) 0.7704(3) 0.3465(3) 0.0204(8) Uani 1 1 d . . . . .
C1 C 0.64449(14) 0.8751(4) 0.2759(4) 0.0195(10) Uani 1 1 d . . . . .
N2 N 0.53958(14) 0.9488(4) 0.3189(5) 0.0449(13) Uani 1 1 d . . . . .
C2 C 0.68161(16) 0.9256(4) 0.2393(4) 0.0209(11) Uani 1 1 d . . . . .
C3 C 0.68263(19) 1.0091(5) 0.1477(5) 0.0329(14) Uani 1 1 d . . . . .
H3 H 0.7082 1.0410 0.1219 0.039 Uiso 1 1 calc R U . . .
C4 C 0.64615(18) 1.0465(5) 0.0933(6) 0.0440(16) Uani 1 1 d . . . . .
H4 H 0.6467 1.1043 0.0301 0.053 Uiso 1 1 calc R U . . .
C5 C 0.60929(18) 1.0003(4) 0.1304(6) 0.0402(15) Uani 1 1 d . . . . .
H5 H 0.5844 1.0274 0.0938 0.048 Uiso 1 1 calc R U . . .
C6 C 0.60804(15) 0.9131(4) 0.2222(5) 0.0255(11) Uani 1 1 d . . . . .
C7 C 0.72104(14) 0.8911(4) 0.3052(4) 0.0228(10) Uani 1 1 d . . . . .
H7A H 0.7445 0.9024 0.2462 0.027 Uiso 1 1 calc R U . . .
H7B H 0.7255 0.9404 0.3805 0.027 Uiso 1 1 calc R U . . .
C8 C 0.75192(14) 0.7490(4) 0.4425(5) 0.0302(12) Uani 1 1 d . . . . .
H8A H 0.7790 0.7642 0.4053 0.045 Uiso 1 1 calc R U . . .
H8B H 0.7505 0.6694 0.4701 0.045 Uiso 1 1 calc R U . . .
H8C H 0.7476 0.7990 0.5161 0.045 Uiso 1 1 calc R U . . .
C9 C 0.72647(15) 0.6959(4) 0.2348(5) 0.0265(11) Uani 1 1 d . . . . .
H9A H 0.7061 0.7137 0.1688 0.040 Uiso 1 1 calc R U . . .
H9B H 0.7235 0.6162 0.2607 0.040 Uiso 1 1 calc R U . . .
H9C H 0.7542 0.7083 0.2009 0.040 Uiso 1 1 calc R U . . .
C10 C 0.56636(16) 0.8660(4) 0.2603(5) 0.0330(13) Uani 1 1 d . . . . .
H10A H 0.5526 0.8351 0.1834 0.040 Uiso 1 1 calc R U . . .
H10B H 0.5705 0.8022 0.3205 0.040 Uiso 1 1 calc R U . . .
C11 C 0.55596(19) 0.9849(5) 0.4411(8) 0.058(2) Uani 1 1 d . . . . .
H11A H 0.5832 1.0188 0.4287 0.087 Uiso 1 1 calc R U . . .
H11B H 0.5583 0.9190 0.4979 0.087 Uiso 1 1 calc R U . . .
H11C H 0.5374 1.0412 0.4793 0.087 Uiso 1 1 calc R U . . .
C12 C 0.49837(18) 0.9004(5) 0.3328(7) 0.065(2) Uani 1 1 d . . . . .
H12A H 0.4871 0.8827 0.2483 0.097 Uiso 1 1 calc R U . . .
H12B H 0.4804 0.9555 0.3756 0.097 Uiso 1 1 calc R U . . .
H12C H 0.4999 0.8307 0.3837 0.097 Uiso 1 1 calc R U . . .
C14 C 0.67706(13) 0.7610(4) 0.6986(4) 0.0169(9) Uani 1 1 d . . . . .
C13 C 0.66321(14) 0.8228(4) 0.5884(4) 0.0170(9) Uani 1 1 d . . . . .
C15 C 0.66685(13) 0.6436(3) 0.7243(4) 0.0144(9) Uani 1 1 d . . . . .
C16 C 0.68576(14) 0.5893(4) 0.8239(4) 0.0175(9) Uani 1 1 d . . . . .
H16 H 0.6796 0.5115 0.8393 0.021 Uiso 1 1 calc R U . . .
C18 C 0.72062(14) 0.7586(4) 0.8917(5) 0.0257(11) Uani 1 1 d . . . . .
H18 H 0.7378 0.7973 0.9509 0.031 Uiso 1 1 calc R U . . .
C17 C 0.71401(12) 0.6451(3) 0.9041(5) 0.0228(9) Uani 1 1 d . . . . .
H17 H 0.7285 0.6032 0.9672 0.027 Uiso 1 1 calc R U . . .
C19 C 0.70178(14) 0.8195(4) 0.7898(4) 0.0202(10) Uani 1 1 d . . . . .
C20 C 0.70723(15) 0.9385(4) 0.7789(4) 0.0253(11) Uani 1 1 d . . . . .
H20 H 0.7229 0.9778 0.8414 0.030 Uiso 1 1 calc R U . . .
C21 C 0.69050(19) 0.9972(4) 0.6812(5) 0.0283(13) Uani 1 1 d . . . . .
H21 H 0.6929 1.0777 0.6780 0.034 Uiso 1 1 calc R U . . .
C22 C 0.66936(15) 0.9379(4) 0.5836(5) 0.0224(11) Uani 1 1 d . . . . .
H22 H 0.6591 0.9793 0.5125 0.027 Uiso 1 1 calc R U . . .
C23 C 0.57685(15) 0.4867(4) 0.3214(4) 0.0229(10) Uani 1 1 d . . . . .
C24 C 0.61012(15) 0.4977(4) 0.2327(4) 0.0247(11) Uani 1 1 d . . . . .
C25 C 0.63951(15) 0.4126(4) 0.2596(4) 0.0241(11) Uani 1 1 d . . . . .
C26 C 0.62402(15) 0.3448(4) 0.3643(4) 0.0230(11) Uani 1 1 d . . . . .
C27 C 0.58547(13) 0.3900(3) 0.4020(5) 0.0215(10) Uani 1 1 d . . . . .
C28 C 0.53524(15) 0.5407(4) 0.3054(5) 0.0331(13) Uani 1 1 d . . . . .
H28A H 0.5206 0.5040 0.2347 0.050 Uiso 1 1 calc R U . . .
H28B H 0.5386 0.6219 0.2868 0.050 Uiso 1 1 calc R U . . .
H28C H 0.5193 0.5316 0.3842 0.050 Uiso 1 1 calc R U . . .
C29 C 0.61096(19) 0.5803(5) 0.1229(5) 0.0391(14) Uani 1 1 d . . . . .
H29A H 0.5981 0.5452 0.0480 0.059 Uiso 1 1 calc R U . . .
H29B H 0.6396 0.6001 0.1030 0.059 Uiso 1 1 calc R U . . .
H29C H 0.5958 0.6492 0.1462 0.059 Uiso 1 1 calc R U . . .
C30 C 0.67802(17) 0.3870(4) 0.1854(5) 0.0360(14) Uani 1 1 d . . . . .
H30A H 0.6724 0.3263 0.1237 0.054 Uiso 1 1 calc R U . . .
H30B H 0.6998 0.3625 0.2441 0.054 Uiso 1 1 calc R U . . .
H30C H 0.6870 0.4556 0.1400 0.054 Uiso 1 1 calc R U . . .
C31 C 0.64447(14) 0.2387(3) 0.4153(8) 0.0354(11) Uani 1 1 d . . . . .
H31A H 0.6415 0.1769 0.3532 0.053 Uiso 1 1 calc R U . . .
H31B H 0.6314 0.2165 0.4958 0.053 Uiso 1 1 calc R U . . .
H31C H 0.6738 0.2537 0.4301 0.053 Uiso 1 1 calc R U . . .
C32 C 0.55594(16) 0.3406(4) 0.4977(5) 0.0334(13) Uani 1 1 d . . . . .
H32A H 0.5362 0.2913 0.4539 0.050 Uiso 1 1 calc R U . . .
H32B H 0.5412 0.4023 0.5407 0.050 Uiso 1 1 calc R U . . .
H32C H 0.5713 0.2961 0.5609 0.050 Uiso 1 1 calc R U . . .
C33 C 0.61250(14) 0.4498(3) 0.7407(4) 0.0177(9) Uani 1 1 d . . . . .
C34 C 0.57892(15) 0.4467(4) 0.8219(5) 0.0285(11) Uani 1 1 d . . . . .
H34 H 0.5620 0.5121 0.8307 0.034 Uiso 1 1 calc R U . . .
C35 C 0.56976(16) 0.3491(4) 0.8903(6) 0.0417(15) Uani 1 1 d . . . . .
H35 H 0.5465 0.3481 0.9452 0.050 Uiso 1 1 calc R U . . .
C36 C 0.59395(15) 0.2543(4) 0.8795(5) 0.0409(16) Uani 1 1 d . . . . .
H36 H 0.5875 0.1878 0.9269 0.049 Uiso 1 1 calc R U . . .
C37 C 0.62778(17) 0.2555(4) 0.7997(5) 0.0340(13) Uani 1 1 d . . . . .
H37 H 0.6449 0.1902 0.7926 0.041 Uiso 1 1 calc R U . . .
C38 C 0.63663(15) 0.3523(4) 0.7303(5) 0.0249(11) Uani 1 1 d . . . . .
H38 H 0.6596 0.3524 0.6743 0.030 Uiso 1 1 calc R U . . .
C39 C 0.58235(14) 0.6705(3) 0.6864(4) 0.0152(9) Uani 1 1 d . . . . .
C40 C 0.58344(15) 0.7334(4) 0.7987(4) 0.0264(11) Uani 1 1 d . . . . .
H40 H 0.6072 0.7302 0.8514 0.032 Uiso 1 1 calc R U . . .
C41 C 0.55058(16) 0.8003(4) 0.8346(5) 0.0333(12) Uani 1 1 d . . . . .
H41 H 0.5522 0.8442 0.9105 0.040 Uiso 1 1 calc R U . . .
C42 C 0.51523(15) 0.8041(4) 0.7611(5) 0.0291(12) Uani 1 1 d . . . . .
H42 H 0.4926 0.8501 0.7858 0.035 Uiso 1 1 calc R U . . .
C43 C 0.51352(16) 0.7401(4) 0.6517(5) 0.0343(12) Uani 1 1 d . . . . .
H43 H 0.4892 0.7407 0.6012 0.041 Uiso 1 1 calc R U . . .
C44 C 0.54688(15) 0.6748(4) 0.6145(5) 0.0265(11) Uani 1 1 d . . . . .
H44 H 0.5453 0.6321 0.5378 0.032 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 C13 2.171(4) . ?
Sn1 C1 2.193(4) . ?
Sn1 N1 2.353(4) . ?
Sn1 Ru1 2.5502(4) . ?
Ru1 C25 2.212(4) . ?
Ru1 C23 2.214(4) . ?
Ru1 C24 2.223(5) . ?
Ru1 C26 2.228(4) . ?
Ru1 C27 2.237(4) . ?
Ru1 P1 2.2856(12) . ?
Ru1 Cl1 2.4692(11) . ?
P1 C39 1.843(4) . ?
P1 C33 1.847(4) . ?
P1 C15 1.854(4) . ?
N1 C8 1.472(6) . ?
N1 C9 1.478(6) . ?
N1 C7 1.484(5) . ?
C1 C6 1.385(6) . ?
C1 C2 1.398(7) . ?
N2 C10 1.443(7) . ?
N2 C11 1.451(9) . ?
N2 C12 1.461(7) . ?
C2 C3 1.373(7) . ?
C2 C7 1.510(7) . ?
C3 C4 1.387(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.406(7) . ?
C5 H5 0.9500 . ?
C6 C10 1.516(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C14 C19 1.426(6) . ?
C14 C13 1.437(6) . ?
C14 C15 1.445(6) . ?
C13 C22 1.368(7) . ?
C15 C16 1.369(6) . ?
C16 C17 1.407(6) . ?
C16 H16 0.9500 . ?
C18 C17 1.358(6) . ?
C18 C19 1.425(6) . ?
C18 H18 0.9500 . ?
C17 H17 0.9500 . ?
C19 C20 1.415(6) . ?
C20 C21 1.349(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.416(7) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.431(7) . ?
C23 C27 1.444(6) . ?
C23 C28 1.503(7) . ?
C24 C25 1.411(7) . ?
C24 C29 1.506(7) . ?
C25 C26 1.447(7) . ?
C25 C30 1.503(7) . ?
C26 C27 1.416(6) . ?
C26 C31 1.511(6) . ?
C27 C32 1.505(7) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.384(6) . ?
C33 C38 1.392(6) . ?
C34 C35 1.385(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.368(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.381(7) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(6) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.377(6) . ?
C39 C40 1.391(6) . ?
C40 C41 1.378(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.383(7) . ?
C41 H41 0.9500 . ?
C42 C43 1.372(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.384(7) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?

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
C13 Sn1 C1 101.84(17) . . ?
C13 Sn1 N1 89.64(15) . . ?
C1 Sn1 N1 77.10(15) . . ?
C13 Sn1 Ru1 116.15(11) . . ?
C1 Sn1 Ru1 139.67(12) . . ?
N1 Sn1 Ru1 114.39(9) . . ?
C25 Ru1 C23 62.80(17) . . ?
C25 Ru1 C24 37.09(17) . . ?
C23 Ru1 C24 37.63(18) . . ?
C25 Ru1 C26 38.05(17) . . ?
C23 Ru1 C26 62.64(17) . . ?
C24 Ru1 C26 62.54(16) . . ?
C25 Ru1 C27 62.84(18) . . ?
C23 Ru1 C27 37.85(17) . . ?
C24 Ru1 C27 62.75(18) . . ?
C26 Ru1 C27 36.98(16) . . ?
C25 Ru1 P1 158.90(13) . . ?
C23 Ru1 P1 114.98(13) . . ?
C24 Ru1 P1 150.83(13) . . ?
C26 Ru1 P1 121.06(12) . . ?
C27 Ru1 P1 101.85(13) . . ?
C25 Ru1 Cl1 91.58(13) . . ?
C23 Ru1 Cl1 152.58(12) . . ?
C24 Ru1 Cl1 123.99(13) . . ?
C26 Ru1 Cl1 91.42(13) . . ?
C27 Ru1 Cl1 123.26(11) . . ?
P1 Ru1 Cl1 85.14(4) . . ?
C25 Ru1 Sn1 119.26(13) . . ?
C23 Ru1 Sn1 109.69(12) . . ?
C24 Ru1 Sn1 97.85(12) . . ?
C26 Ru1 Sn1 157.25(12) . . ?
C27 Ru1 Sn1 145.88(11) . . ?
P1 Ru1 Sn1 81.68(3) . . ?
Cl1 Ru1 Sn1 90.77(3) . . ?
C39 P1 C33 100.2(2) . . ?
C39 P1 C15 98.03(19) . . ?
C33 P1 C15 102.56(19) . . ?
C39 P1 Ru1 121.77(14) . . ?
C33 P1 Ru1 112.52(14) . . ?
C15 P1 Ru1 118.51(14) . . ?
C8 N1 C9 109.7(4) . . ?
C8 N1 C7 110.1(3) . . ?
C9 N1 C7 109.4(3) . . ?
C8 N1 Sn1 116.1(3) . . ?
C9 N1 Sn1 104.8(3) . . ?
C7 N1 Sn1 106.5(3) . . ?
C6 C1 C2 119.2(4) . . ?
C6 C1 Sn1 126.7(3) . . ?
C2 C1 Sn1 114.0(3) . . ?
C10 N2 C11 110.6(4) . . ?
C10 N2 C12 109.4(5) . . ?
C11 N2 C12 111.2(5) . . ?
C3 C2 C1 121.1(5) . . ?
C3 C2 C7 119.4(5) . . ?
C1 C2 C7 119.5(4) . . ?
C2 C3 C4 119.6(5) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.3(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.5(5) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 119.3(5) . . ?
C1 C6 C10 122.5(4) . . ?
C5 C6 C10 118.2(4) . . ?
N1 C7 C2 111.5(4) . . ?
N1 C7 H7A 109.3 . . ?
C2 C7 H7A 109.3 . . ?
N1 C7 H7B 109.3 . . ?
C2 C7 H7B 109.3 . . ?
H7A C7 H7B 108.0 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C6 113.8(4) . . ?
N2 C10 H10A 108.8 . . ?
C6 C10 H10A 108.8 . . ?
N2 C10 H10B 108.8 . . ?
C6 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C19 C14 C13 118.1(4) . . ?
C19 C14 C15 117.7(4) . . ?
C13 C14 C15 124.2(4) . . ?
C22 C13 C14 118.9(4) . . ?
C22 C13 Sn1 118.1(3) . . ?
C14 C13 Sn1 120.0(3) . . ?
C16 C15 C14 119.0(4) . . ?
C16 C15 P1 120.1(3) . . ?
C14 C15 P1 120.4(3) . . ?
C15 C16 C17 122.1(4) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C17 C18 C19 119.9(4) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C17 C16 120.3(4) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C20 C19 C18 120.3(4) . . ?
C20 C19 C14 119.6(4) . . ?
C18 C19 C14 120.1(4) . . ?
C21 C20 C19 121.1(4) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 119.5(5) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C13 C22 C21 122.0(5) . . ?
C13 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
C24 C23 C27 107.8(4) . . ?
C24 C23 C28 124.6(4) . . ?
C27 C23 C28 125.0(4) . . ?
C24 C23 Ru1 71.5(3) . . ?
C27 C23 Ru1 71.9(2) . . ?
C28 C23 Ru1 136.7(3) . . ?
C25 C24 C23 108.5(4) . . ?
C25 C24 C29 126.7(5) . . ?
C23 C24 C29 124.6(5) . . ?
C25 C24 Ru1 71.0(3) . . ?
C23 C24 Ru1 70.8(3) . . ?
C29 C24 Ru1 128.0(3) . . ?
C24 C25 C26 107.9(4) . . ?
C24 C25 C30 127.0(5) . . ?
C26 C25 C30 124.8(4) . . ?
C24 C25 Ru1 71.9(3) . . ?
C26 C25 Ru1 71.6(2) . . ?
C30 C25 Ru1 127.1(3) . . ?
C27 C26 C25 108.2(4) . . ?
C27 C26 C31 126.9(4) . . ?
C25 C26 C31 124.8(5) . . ?
C27 C26 Ru1 71.8(2) . . ?
C25 C26 Ru1 70.4(2) . . ?
C31 C26 Ru1 127.2(4) . . ?
C26 C27 C23 107.7(4) . . ?
C26 C27 C32 127.2(4) . . ?
C23 C27 C32 124.8(4) . . ?
C26 C27 Ru1 71.2(2) . . ?
C23 C27 Ru1 70.2(2) . . ?
C32 C27 Ru1 129.2(3) . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C38 118.0(4) . . ?
C34 C33 P1 122.6(3) . . ?
C38 C33 P1 119.2(3) . . ?
C33 C34 C35 120.6(5) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C36 C35 C34 120.5(5) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C37 119.9(5) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 C38 119.5(5) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
C37 C38 C33 121.3(5) . . ?
C37 C38 H38 119.3 . . ?
C33 C38 H38 119.3 . . ?
C44 C39 C40 117.7(4) . . ?
C44 C39 P1 119.1(3) . . ?
C40 C39 P1 123.0(3) . . ?
C41 C40 C39 121.0(5) . . ?
C41 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
C40 C41 C42 120.6(5) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C43 C42 C41 118.8(5) . . ?
C43 C42 H42 120.6 . . ?
C41 C42 H42 120.6 . . ?
C42 C43 C44 120.5(5) . . ?
C42 C43 H43 119.7 . . ?
C44 C43 H43 119.7 . . ?
C39 C44 C43 121.4(4) . . ?
C39 C44 H44 119.3 . . ?
C43 C44 H44 119.3 . . ?

_refine_diff_density_max         0.775
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.134



