# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1588313'
_audit_update_record             
;
2017-11-29 deposited with the CCDC.
2018-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H44 N2 P2 Sn, C7 H8'
_chemical_formula_sum            'C31 H52 N2 P2 Sn'
_chemical_formula_weight         633.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

_cell_length_a                   23.5126(3)
_cell_length_b                   11.83470(10)
_cell_length_c                   23.8529(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6637.42(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    12877
_cell_measurement_theta_min      3.7030
_cell_measurement_theta_max      69.6500

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_F_000             2656
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    7.175
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49052
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Nova (Cu) X-ray Source'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20205
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.706
_diffrn_reflns_theta_max         69.817
_diffrn_reflns_theta_full        70.000
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             6173
_reflns_number_gt                5683
_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       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    
'MERCURY (Cambridge Crystallographic Data Centre: Cambridge, UK, 2016)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_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)+(0.0460P)²+3.9166P] 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         6173
_refine_ls_number_parameters     338
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0315
_refine_ls_wR_factor_ref         0.0841
_refine_ls_wR_factor_gt          0.0816
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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
P2 P 0.30611(2) 0.66203(5) -0.41347(2) 0.02410(12) Uani 1 1 d . . . . .
P1 P 0.45609(2) 1.11375(4) -0.35180(2) 0.02201(12) Uani 1 1 d . . . . .
N2 N 0.41841(7) 0.71714(14) -0.40421(7) 0.0243(4) Uani 1 1 d . . . . .
N1 N 0.47790(8) 0.89350(15) -0.37508(7) 0.0228(4) Uani 1 1 d . . . . .
C20 C 0.27490(10) 0.5994(2) -0.47922(9) 0.0318(5) Uani 1 1 d . . . . .
C10 C 0.50918(9) 0.79975(18) -0.39036(8) 0.0213(4) Uani 1 1 d . . . . .
C16 C 0.38245(10) 0.62260(18) -0.42110(10) 0.0277(5) Uani 1 1 d . . . . .
H16A H 0.3909 0.5560 -0.3974 0.033 Uiso 1 1 calc R U . . .
H16B H 0.3905 0.6024 -0.4606 0.033 Uiso 1 1 calc R U . . .
C4 C 0.47600(10) 1.20927(19) -0.41155(9) 0.0300(5) Uani 1 1 d . . . . .
C11 C 0.56852(9) 0.79372(19) -0.39261(8) 0.0257(4) Uani 1 1 d . . . . .
H11 H 0.5906 0.8572 -0.3818 0.031 Uiso 1 1 calc R U . . .
C22 C 0.28465(12) 0.4513(2) -0.35318(10) 0.0371(5) Uani 1 1 d . . . . .
H22A H 0.3218 0.4259 -0.3670 0.056 Uiso 1 1 calc R U . . .
H22B H 0.2548 0.4266 -0.3792 0.056 Uiso 1 1 calc R U . . .
H22C H 0.2776 0.4188 -0.3160 0.056 Uiso 1 1 calc R U . . .
C3 C 0.46859(17) 1.1358(3) -0.46400(10) 0.0538(8) Uani 1 1 d . . . . .
H3A H 0.4300 1.1045 -0.4647 0.081 Uiso 1 1 calc R U . . .
H3B H 0.4963 1.0740 -0.4633 0.081 Uiso 1 1 calc R U . . .
H3C H 0.4747 1.1821 -0.4976 0.081 Uiso 1 1 calc R U . . .
C24 C 0.28423(10) 0.58062(19) -0.34908(9) 0.0285(5) Uani 1 1 d . . . . .
C8 C 0.47409(11) 1.1763(2) -0.28145(9) 0.0350(5) Uani 1 1 d . . . . .
C23 C 0.32599(13) 0.6169(2) -0.30290(10) 0.0432(6) Uani 1 1 d . . . . .
H23A H 0.3144 0.5834 -0.2671 0.065 Uiso 1 1 calc R U . . .
H23B H 0.3259 0.6994 -0.2996 0.065 Uiso 1 1 calc R U . . .
H23C H 0.3644 0.5909 -0.3125 0.065 Uiso 1 1 calc R U . . .
C1 C 0.43177(14) 1.3037(2) -0.41514(13) 0.0511(7) Uani 1 1 d . . . . .
H1A H 0.4383 1.3581 -0.3849 0.077 Uiso 1 1 calc R U . . .
H1B H 0.3936 1.2714 -0.4115 0.077 Uiso 1 1 calc R U . . .
H1C H 0.4351 1.3420 -0.4514 0.077 Uiso 1 1 calc R U . . .
C12 C 0.59540(10) 0.6960(2) -0.41051(9) 0.0319(5) Uani 1 1 d . . . . .
H12 H 0.6357 0.6934 -0.4124 0.038 Uiso 1 1 calc R U . . .
C26 C 0.21982(11) 1.0015(2) -0.15503(9) 0.0361(5) Uani 1 1 d . . . . .
C5 C 0.43692(17) 1.2802(3) -0.27187(14) 0.0693(10) Uani 1 1 d . . . . .
H5A H 0.4394 1.3032 -0.2325 0.104 Uiso 1 1 calc R U . . .
H5B H 0.3973 1.2620 -0.2811 0.104 Uiso 1 1 calc R U . . .
H5C H 0.4501 1.3421 -0.2959 0.104 Uiso 1 1 calc R U . . .
C18 C 0.20995(12) 0.6106(3) -0.47674(12) 0.0490(7) Uani 1 1 d . . . . .
H18A H 0.1938 0.5936 -0.5137 0.074 Uiso 1 1 calc R U . . .
H18B H 0.1998 0.6879 -0.4659 0.074 Uiso 1 1 calc R U . . .
H18C H 0.1948 0.5574 -0.4490 0.074 Uiso 1 1 calc R U . . .
C29 C 0.31145(14) 0.8770(3) -0.19621(12) 0.0542(8) Uani 1 1 d . . . . .
H29 H 0.3426 0.8346 -0.2104 0.065 Uiso 1 1 calc R U . . .
C13 C 0.56386(10) 0.6021(2) -0.42574(10) 0.0320(5) Uani 1 1 d . . . . .
H13 H 0.5827 0.5352 -0.4375 0.038 Uiso 1 1 calc R U . . .
C15 C 0.47659(9) 0.70316(17) -0.40648(8) 0.0216(4) Uani 1 1 d . . . . .
C25 C 0.17123(13) 1.0686(3) -0.13221(13) 0.0496(7) Uani 1 1 d . . . . .
H25A H 0.1609 1.0398 -0.0951 0.074 Uiso 1 1 calc R U . . .
H25B H 0.1385 1.0620 -0.1575 0.074 Uiso 1 1 calc R U . . .
H25C H 0.1824 1.1482 -0.1291 0.074 Uiso 1 1 calc R U . . .
C28 C 0.32053(12) 0.9799(3) -0.17159(11) 0.0514(7) Uani 1 1 d . . . . .
H28 H 0.3581 1.0085 -0.1682 0.062 Uiso 1 1 calc R U . . .
C6 C 0.53602(13) 1.2073(3) -0.27042(12) 0.0554(8) Uani 1 1 d . . . . .
H6A H 0.5474 1.2687 -0.2956 0.083 Uiso 1 1 calc R U . . .
H6B H 0.5602 1.1412 -0.2771 0.083 Uiso 1 1 calc R U . . .
H6C H 0.5403 1.2320 -0.2314 0.083 Uiso 1 1 calc R U . . .
C31 C 0.21141(13) 0.8962(2) -0.17977(11) 0.0424(6) Uani 1 1 d . . . . .
H31 H 0.1740 0.8663 -0.1825 0.051 Uiso 1 1 calc R U . . .
C30 C 0.25653(14) 0.8350(3) -0.20030(11) 0.0487(7) Uani 1 1 d . . . . .
H30 H 0.2501 0.7636 -0.2174 0.058 Uiso 1 1 calc R U . . .
C9 C 0.50827(9) 0.99649(18) -0.35892(9) 0.0257(4) Uani 1 1 d . . . . .
H9A H 0.5369 1.0158 -0.3878 0.031 Uiso 1 1 calc R U . . .
H9B H 0.5282 0.9845 -0.3229 0.031 Uiso 1 1 calc R U . . .
C21 C 0.22461(12) 0.6207(2) -0.33143(11) 0.0392(6) Uani 1 1 d . . . . .
H21A H 0.2143 0.5856 -0.2956 0.059 Uiso 1 1 calc R U . . .
H21B H 0.1969 0.5988 -0.3601 0.059 Uiso 1 1 calc R U . . .
H21C H 0.2246 0.7031 -0.3273 0.059 Uiso 1 1 calc R U . . .
C17 C 0.29629(13) 0.6767(2) -0.52668(10) 0.0444(6) Uani 1 1 d . . . . .
H17A H 0.3378 0.6710 -0.5295 0.067 Uiso 1 1 calc R U . . .
H17B H 0.2857 0.7551 -0.5185 0.067 Uiso 1 1 calc R U . . .
H17C H 0.2790 0.6534 -0.5622 0.067 Uiso 1 1 calc R U . . .
C2 C 0.53571(12) 1.2608(3) -0.41135(13) 0.0509(7) Uani 1 1 d . . . . .
H2A H 0.5423 1.3003 -0.4469 0.076 Uiso 1 1 calc R U . . .
H2B H 0.5640 1.2007 -0.4068 0.076 Uiso 1 1 calc R U . . .
H2C H 0.5390 1.3145 -0.3802 0.076 Uiso 1 1 calc R U . . .
C14 C 0.50492(10) 0.60540(19) -0.42384(9) 0.0275(5) Uani 1 1 d . . . . .
H14 H 0.4836 0.5406 -0.4344 0.033 Uiso 1 1 calc R U . . .
C27 C 0.27527(11) 1.0420(2) -0.15178(10) 0.0404(6) Uani 1 1 d . . . . .
H27 H 0.2820 1.1141 -0.1355 0.048 Uiso 1 1 calc R U . . .
C19 C 0.29107(13) 0.4772(2) -0.49277(10) 0.0411(6) Uani 1 1 d . . . . .
H19A H 0.2783 0.4584 -0.5308 0.062 Uiso 1 1 calc R U . . .
H19B H 0.2728 0.4263 -0.4658 0.062 Uiso 1 1 calc R U . . .
H19C H 0.3324 0.4685 -0.4904 0.062 Uiso 1 1 calc R U . . .
C7 C 0.45608(19) 1.0844(3) -0.23994(12) 0.0714(11) Uani 1 1 d . . . . .
H7A H 0.4601 1.1128 -0.2016 0.107 Uiso 1 1 calc R U . . .
H7B H 0.4803 1.0177 -0.2449 0.107 Uiso 1 1 calc R U . . .
H7C H 0.4163 1.0638 -0.2468 0.107 Uiso 1 1 calc R U . . .
Sn1 Sn 0.38955(2) 0.87645(2) -0.37852(2) 0.03550(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P2 C16 1.863(2) . ?
P2 C20 1.884(2) . ?
P2 C24 1.885(2) . ?
P1 C9 1.860(2) . ?
P1 C4 1.878(2) . ?
P1 C8 1.882(2) . ?
N2 C15 1.379(3) . ?
N2 C16 1.459(3) . ?
N2 Sn1 2.0954(17) . ?
N1 C10 1.380(3) . ?
N1 C9 1.464(3) . ?
N1 Sn1 2.0887(19) . ?
C20 C19 1.530(3) . ?
C20 C18 1.534(4) . ?
C20 C17 1.540(3) . ?
C10 C11 1.398(3) . ?
C10 C15 1.429(3) . ?
C4 C1 1.529(4) . ?
C4 C2 1.531(4) . ?
C4 C3 1.533(3) . ?
C11 C12 1.386(3) . ?
C22 C24 1.534(3) . ?
C24 C23 1.537(3) . ?
C24 C21 1.538(3) . ?
C8 C6 1.524(4) . ?
C8 C5 1.525(4) . ?
C8 C7 1.531(4) . ?
C12 C13 1.384(4) . ?
C26 C27 1.391(3) . ?
C26 C31 1.392(4) . ?
C26 C25 1.495(4) . ?
C29 C28 1.368(5) . ?
C29 C30 1.387(5) . ?
C13 C14 1.387(3) . ?
C15 C14 1.398(3) . ?
C28 C27 1.377(4) . ?
C31 C30 1.375(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C16 P2 C20 101.27(11) . . ?
C16 P2 C24 102.39(11) . . ?
C20 P2 C24 111.77(10) . . ?
C9 P1 C4 102.44(10) . . ?
C9 P1 C8 103.10(11) . . ?
C4 P1 C8 112.55(11) . . ?
C15 N2 C16 118.17(17) . . ?
C15 N2 Sn1 116.15(13) . . ?
C16 N2 Sn1 125.66(14) . . ?
C10 N1 C9 118.60(18) . . ?
C10 N1 Sn1 116.23(14) . . ?
C9 N1 Sn1 125.15(14) . . ?
C19 C20 C18 109.7(2) . . ?
C19 C20 C17 109.0(2) . . ?
C18 C20 C17 107.6(2) . . ?
C19 C20 P2 116.83(17) . . ?
C18 C20 P2 108.77(17) . . ?
C17 C20 P2 104.52(17) . . ?
N1 C10 C11 125.7(2) . . ?
N1 C10 C15 115.36(18) . . ?
C11 C10 C15 118.95(19) . . ?
N2 C16 P2 109.83(14) . . ?
C1 C4 C2 109.4(2) . . ?
C1 C4 C3 106.9(2) . . ?
C2 C4 C3 109.4(2) . . ?
C1 C4 P1 108.23(17) . . ?
C2 C4 P1 117.78(17) . . ?
C3 C4 P1 104.46(17) . . ?
C12 C11 C10 120.6(2) . . ?
C22 C24 C23 108.7(2) . . ?
C22 C24 C21 109.3(2) . . ?
C23 C24 C21 107.5(2) . . ?
C22 C24 P2 117.16(15) . . ?
C23 C24 P2 105.48(16) . . ?
C21 C24 P2 108.33(16) . . ?
C6 C8 C5 109.1(3) . . ?
C6 C8 C7 108.9(3) . . ?
C5 C8 C7 108.5(3) . . ?
C6 C8 P1 117.60(18) . . ?
C5 C8 P1 108.76(18) . . ?
C7 C8 P1 103.57(18) . . ?
C13 C12 C11 120.4(2) . . ?
C27 C26 C31 117.7(3) . . ?
C27 C26 C25 120.8(3) . . ?
C31 C26 C25 121.4(3) . . ?
C28 C29 C30 119.6(3) . . ?
C12 C13 C14 120.3(2) . . ?
N2 C15 C14 125.70(19) . . ?
N2 C15 C10 115.18(18) . . ?
C14 C15 C10 119.10(19) . . ?
C29 C28 C27 120.1(3) . . ?
C30 C31 C26 120.8(3) . . ?
C31 C30 C29 120.3(3) . . ?
N1 C9 P1 108.87(14) . . ?
C13 C14 C15 120.6(2) . . ?
C28 C27 C26 121.4(3) . . ?
N1 Sn1 N2 77.08(7) . . ?

_refine_diff_density_max         0.547
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.067

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1588314'
_audit_update_record             
;
2017-11-29 deposited with the CCDC.
2018-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C34 H58 Cl2 N2 P2 Ru Sn), C7 H8'
_chemical_formula_sum            'C75 H124 Cl4 N4 P4 Ru2 Sn2'
_chemical_formula_weight         1786.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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'
'-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                   27.8898(11)
_cell_length_b                   19.6719(7)
_cell_length_c                   16.2784(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.159(4)
_cell_angle_gamma                90
_cell_volume                     8840.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7016
_cell_measurement_theta_min      3.7270
_cell_measurement_theta_max      69.6010

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_F_000             3672
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    9.239
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.42723
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Nova (Cu) X-ray Source'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22033
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.727
_diffrn_reflns_theta_max         69.656
_diffrn_reflns_theta_full        70.000
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             8179
_reflns_number_gt                6150
_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       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    
'MERCURY (Cambridge Crystallographic Data Centre: Cambridge, UK, 2016)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_refine_special_details          
;
The toluene solvent molecules found in the unit cell of 6Ã?0.5Ã?(C7H8) were disordered about centres of symmetry and required restraints on their geometrical and thermal parameters. Additionally, their carbon atoms were kept isotropic due to their tendency to give nonpositive definite or oblate ellipsoids.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0931P)²+41.6940P] 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         8179
_refine_ls_number_parameters     452
_refine_ls_number_restraints     46
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0495
_refine_ls_wR_factor_ref         0.1743
_refine_ls_wR_factor_gt          0.1409
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.059
_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
C1 C 0.7690(3) 0.0074(4) 0.4132(4) 0.0461(17) Uani 1 1 d . . . . .
H1A H 0.7727 -0.0415 0.4233 0.069 Uiso 1 1 calc R U . . .
H1B H 0.8010 0.0281 0.4132 0.069 Uiso 1 1 calc R U . . .
H1C H 0.7492 0.0151 0.3593 0.069 Uiso 1 1 calc R U . . .
C2 C 0.7325(3) 0.1144(4) 0.4592(5) 0.0455(17) Uani 1 1 d . . . . .
H2A H 0.7114 0.1165 0.4056 0.068 Uiso 1 1 calc R U . . .
H2B H 0.7626 0.1391 0.4553 0.068 Uiso 1 1 calc R U . . .
H2C H 0.7159 0.1353 0.5020 0.068 Uiso 1 1 calc R U . . .
C3 C 0.6961(3) 0.0041(4) 0.4862(5) 0.0514(19) Uani 1 1 d . . . . .
H3A H 0.6751 0.0093 0.4331 0.077 Uiso 1 1 calc R U . . .
H3B H 0.6805 0.0243 0.5306 0.077 Uiso 1 1 calc R U . . .
H3C H 0.7020 -0.0443 0.4977 0.077 Uiso 1 1 calc R U . . .
C4 C 0.7441(3) 0.0399(4) 0.4820(4) 0.0372(14) Uani 1 1 d . . . . .
C5 C 0.8485(3) -0.0755(4) 0.5589(5) 0.052(2) Uani 1 1 d . . . . .
H5A H 0.8775 -0.0480 0.5754 0.078 Uiso 1 1 calc R U . . .
H5B H 0.8377 -0.0698 0.4993 0.078 Uiso 1 1 calc R U . . .
H5C H 0.8560 -0.1235 0.5708 0.078 Uiso 1 1 calc R U . . .
C6 C 0.7662(3) -0.1035(4) 0.5915(6) 0.059(2) Uani 1 1 d . . . . .
H6A H 0.7763 -0.1471 0.6177 0.089 Uiso 1 1 calc R U . . .
H6B H 0.7575 -0.1100 0.5316 0.089 Uiso 1 1 calc R U . . .
H6C H 0.7381 -0.0861 0.6149 0.089 Uiso 1 1 calc R U . . .
C7 C 0.8284(3) -0.0552(4) 0.6989(4) 0.0467(17) Uani 1 1 d . . . . .
H7A H 0.8034 -0.0411 0.7321 0.070 Uiso 1 1 calc R U . . .
H7B H 0.8562 -0.0246 0.7099 0.070 Uiso 1 1 calc R U . . .
H7C H 0.8386 -0.1018 0.7139 0.070 Uiso 1 1 calc R U . . .
C8 C 0.8080(3) -0.0524(3) 0.6078(4) 0.0391(15) Uani 1 1 d . . . . .
C9 C 0.7462(2) 0.0557(3) 0.6603(4) 0.0308(13) Uani 1 1 d . . . . .
H9A H 0.7202 0.0868 0.6352 0.037 Uiso 1 1 calc R U . . .
H9B H 0.7307 0.0125 0.6731 0.037 Uiso 1 1 calc R U . . .
C10 C 0.7417(2) 0.1214(3) 0.7856(4) 0.0297(13) Uani 1 1 d . . . . .
C11 C 0.6920(2) 0.1106(3) 0.7860(4) 0.0344(14) Uani 1 1 d . . . . .
H11 H 0.6751 0.0781 0.7496 0.041 Uiso 1 1 calc R U . . .
C12 C 0.6675(2) 0.1476(4) 0.8394(4) 0.0399(16) Uani 1 1 d . . . . .
H12 H 0.6338 0.1404 0.8389 0.048 Uiso 1 1 calc R U . . .
C13 C 0.6915(3) 0.1948(4) 0.8934(4) 0.0417(16) Uani 1 1 d . . . . .
H13 H 0.6743 0.2195 0.9300 0.050 Uiso 1 1 calc R U . . .
C14 C 0.7409(2) 0.2061(4) 0.8940(4) 0.0361(14) Uani 1 1 d . . . . .
H14 H 0.7574 0.2380 0.9319 0.043 Uiso 1 1 calc R U . . .
C15 C 0.7664(2) 0.1711(3) 0.8395(4) 0.0286(12) Uani 1 1 d . . . . .
C16 C 0.8455(2) 0.2251(4) 0.8919(4) 0.0355(14) Uani 1 1 d . . . . .
H16A H 0.8579 0.1989 0.9424 0.043 Uiso 1 1 calc R U . . .
H16B H 0.8263 0.2639 0.9083 0.043 Uiso 1 1 calc R U . . .
C17 C 0.8255(4) 0.3366(4) 0.7583(5) 0.067(3) Uani 1 1 d . . . . .
H17A H 0.8137 0.3809 0.7365 0.100 Uiso 1 1 calc R U . . .
H17B H 0.8038 0.3190 0.7956 0.100 Uiso 1 1 calc R U . . .
H17C H 0.8263 0.3049 0.7122 0.100 Uiso 1 1 calc R U . . .
C18 C 0.9094(5) 0.3712(5) 0.7452(7) 0.088(4) Uani 1 1 d . . . . .
H18A H 0.9074 0.3409 0.6970 0.132 Uiso 1 1 calc R U . . .
H18B H 0.9429 0.3727 0.7731 0.132 Uiso 1 1 calc R U . . .
H18C H 0.8992 0.4170 0.7267 0.132 Uiso 1 1 calc R U . . .
C19 C 0.8742(3) 0.3981(4) 0.8753(5) 0.057(2) Uani 1 1 d . . . . .
H19A H 0.8631 0.4417 0.8504 0.085 Uiso 1 1 calc R U . . .
H19B H 0.9065 0.4036 0.9071 0.085 Uiso 1 1 calc R U . . .
H19C H 0.8516 0.3828 0.9124 0.085 Uiso 1 1 calc R U . . .
C20 C 0.8762(3) 0.3446(4) 0.8058(5) 0.0503(19) Uani 1 1 d . . . . .
C21 C 0.9884(3) 0.3043(5) 0.9067(7) 0.070(3) Uani 1 1 d . . . . .
H21A H 0.9791 0.3523 0.9005 0.105 Uiso 1 1 calc R U . . .
H21B H 0.9962 0.2870 0.8537 0.105 Uiso 1 1 calc R U . . .
H21C H 1.0167 0.2998 0.9493 0.105 Uiso 1 1 calc R U . . .
C22 C 0.9636(3) 0.1879(5) 0.9493(6) 0.061(2) Uani 1 1 d . . . . .
H22A H 0.9743 0.1689 0.8992 0.091 Uiso 1 1 calc R U . . .
H22B H 0.9366 0.1608 0.9641 0.091 Uiso 1 1 calc R U . . .
H22C H 0.9905 0.1869 0.9950 0.091 Uiso 1 1 calc R U . . .
C23 C 0.9337(3) 0.2928(5) 1.0137(5) 0.061(2) Uani 1 1 d . . . . .
H23A H 0.9626 0.2923 1.0558 0.091 Uiso 1 1 calc R U . . .
H23B H 0.9083 0.2651 1.0327 0.091 Uiso 1 1 calc R U . . .
H23C H 0.9222 0.3396 1.0046 0.091 Uiso 1 1 calc R U . . .
C24 C 0.9465(2) 0.2636(4) 0.9322(5) 0.0487(18) Uani 1 1 d . . . . .
C25 C 0.9578(3) 0.0451(5) 0.6488(5) 0.0528(19) Uani 1 1 d . . . . .
H25A H 0.9919 0.0516 0.6420 0.079 Uiso 1 1 calc R U . . .
H25B H 0.9480 -0.0015 0.6329 0.079 Uiso 1 1 calc R U . . .
H25C H 0.9539 0.0528 0.7070 0.079 Uiso 1 1 calc R U . . .
C26 C 0.9269(2) 0.0944(4) 0.5947(4) 0.0432(17) Uani 1 1 d . . . . .
C27 C 0.9009(2) 0.0756(4) 0.5173(4) 0.0385(15) Uani 1 1 d . . . . .
H27 H 0.9001 0.0290 0.5018 0.046 Uiso 1 1 calc R U . . .
C28 C 0.8759(2) 0.1229(3) 0.4621(4) 0.0361(15) Uani 1 1 d . . . . .
H28 H 0.8610 0.1085 0.4089 0.043 Uiso 1 1 calc R U . . .
C29 C 0.8730(2) 0.1915(3) 0.4854(4) 0.0340(14) Uani 1 1 d . . . . .
C30 C 0.8967(2) 0.2100(4) 0.5667(4) 0.0375(15) Uani 1 1 d . . . . .
H30 H 0.8939 0.2553 0.5857 0.045 Uiso 1 1 calc R U . . .
C31 C 0.9234(2) 0.1634(4) 0.6180(4) 0.0369(15) Uani 1 1 d . . . . .
H31 H 0.9398 0.1780 0.6702 0.044 Uiso 1 1 calc R U . . .
C32 C 0.8449(3) 0.2448(4) 0.4300(4) 0.0428(16) Uani 1 1 d . . . . .
H32 H 0.8170 0.2599 0.4578 0.051 Uiso 1 1 calc R U . . .
C33 C 0.8767(3) 0.3066(4) 0.4218(6) 0.061(2) Uani 1 1 d . . . . .
H33A H 0.8854 0.3278 0.4764 0.091 Uiso 1 1 calc R U . . .
H33B H 0.8590 0.3393 0.3835 0.091 Uiso 1 1 calc R U . . .
H33C H 0.9063 0.2924 0.4003 0.091 Uiso 1 1 calc R U . . .
C34 C 0.8246(3) 0.2189(4) 0.3442(4) 0.0494(18) Uani 1 1 d . . . . .
H34A H 0.8514 0.2071 0.3137 0.074 Uiso 1 1 calc R U . . .
H34B H 0.8047 0.2543 0.3140 0.074 Uiso 1 1 calc R U . . .
H34C H 0.8048 0.1784 0.3495 0.074 Uiso 1 1 calc R U . . .
C35 C 1.0142(8) 0.4954(13) 0.4582(13) 0.072(10) Uiso 0.25 1 d D U P A -1
C36 C 0.9693(8) 0.4707(13) 0.4678(13) 0.045(8) Uiso 0.25 1 d D U P A -1
H36 H 0.9510 0.4467 0.4234 0.054 Uiso 0.25 1 calc R U P A -1
C37 C 0.9504(9) 0.4799(14) 0.5409(14) 0.066(9) Uiso 0.25 1 d D U P A -1
H37 H 0.9193 0.4626 0.5471 0.079 Uiso 0.25 1 calc R U P A -1
C38 C 0.9776(10) 0.5147(15) 0.6047(14) 0.079(11) Uiso 0.25 1 d D U P A -1
H38 H 0.9649 0.5216 0.6552 0.095 Uiso 0.25 1 calc R U P A -1
C39 C 1.0227(10) 0.5396(15) 0.5965(15) 0.078(10) Uiso 0.25 1 d D U P A -1
H39 H 1.0414 0.5629 0.6411 0.093 Uiso 0.25 1 calc R U P A -1
C40 C 1.0402(9) 0.5302(15) 0.5226(15) 0.062(11) Uiso 0.25 1 d D U P A -1
H40 H 1.0711 0.5481 0.5161 0.075 Uiso 0.25 1 calc R U P A -1
C41 C 1.0343(12) 0.4851(19) 0.3792(15) 0.090(14) Uiso 0.25 1 d D U P A -1
H41A H 1.0484 0.5277 0.3629 0.135 Uiso 0.25 1 calc R U P A -1
H41B H 1.0082 0.4709 0.3357 0.135 Uiso 0.25 1 calc R U P A -1
H41C H 1.0593 0.4499 0.3871 0.135 Uiso 0.25 1 calc R U P A -1
C42 C 0.9855(8) 0.1783(9) 0.2722(13) 0.068(9) Uiso 0.25 1 d D U P B -2
C43 C 0.9603(7) 0.2375(10) 0.2542(14) 0.036(6) Uiso 0.25 1 d D U P B -2
H43 H 0.9259 0.2367 0.2486 0.044 Uiso 0.25 1 calc R U P B -2
C44 C 0.9834(9) 0.2983(10) 0.244(2) 0.076(11) Uiso 0.25 1 d D U P B -2
H44 H 0.9654 0.3389 0.2320 0.091 Uiso 0.25 1 calc R U P B -2
C45 C 1.0330(9) 0.2986(11) 0.252(2) 0.070(10) Uiso 0.25 1 d D U P B -2
H45 H 1.0494 0.3399 0.2439 0.084 Uiso 0.25 1 calc R U P B -2
C46 C 1.0596(7) 0.2404(13) 0.2706(19) 0.075(10) Uiso 0.25 1 d D U P B -2
H46 H 1.0939 0.2415 0.2773 0.090 Uiso 0.25 1 calc R U P B -2
C47 C 1.0354(8) 0.1805(11) 0.2796(17) 0.077(10) Uiso 0.25 1 d D U P B -2
H47 H 1.0535 0.1398 0.2911 0.092 Uiso 0.25 1 calc R U P B -2
C48 C 0.9602(12) 0.1133(11) 0.283(3) 0.119(19) Uiso 0.25 1 d D U P B -2
H48A H 0.9259 0.1176 0.2596 0.179 Uiso 0.25 1 calc R U P B -2
H48B H 0.9629 0.1023 0.3420 0.179 Uiso 0.25 1 calc R U P B -2
H48C H 0.9750 0.0769 0.2539 0.179 Uiso 0.25 1 calc R U P B -2
Cl1 Cl 0.89465(6) 0.05410(9) 0.84276(10) 0.0399(4) Uani 1 1 d . . . . .
Cl2 Cl 0.78719(5) 0.20685(8) 0.60511(9) 0.0340(3) Uani 1 1 d . . . . .
N1 N 0.76979(17) 0.0853(3) 0.7367(3) 0.0301(11) Uani 1 1 d . . . . .
N2 N 0.81507(19) 0.1818(3) 0.8332(3) 0.0333(12) Uani 1 1 d . . . . .
P1 P 0.78830(6) 0.03885(8) 0.58281(9) 0.0304(3) Uani 1 1 d . . . . .
P2 P 0.89688(6) 0.25682(9) 0.84176(11) 0.0386(4) Uani 1 1 d . . . . .
Ru1 Ru 0.84958(2) 0.12495(2) 0.58979(3) 0.02783(15) Uani 1 1 d . . . . .
Sn01 Sn 0.83948(2) 0.12296(2) 0.74436(2) 0.02850(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C4 1.538(9) . ?
C2 C4 1.537(10) . ?
C3 C4 1.522(10) . ?
C4 P1 1.907(7) . ?
C5 C8 1.540(10) . ?
C6 C8 1.533(11) . ?
C7 C8 1.513(10) . ?
C8 P1 1.904(7) . ?
C9 N1 1.444(8) . ?
C9 P1 1.871(6) . ?
C10 N1 1.390(8) . ?
C10 C11 1.403(9) . ?
C10 C15 1.424(9) . ?
C11 C12 1.385(9) . ?
C12 C13 1.384(11) . ?
C13 C14 1.395(10) . ?
C14 C15 1.396(9) . ?
C15 N2 1.391(8) . ?
C16 N2 1.459(8) . ?
C16 P2 1.854(6) . ?
C17 C20 1.521(13) . ?
C18 C20 1.540(12) . ?
C19 C20 1.552(10) . ?
C20 P2 1.887(8) . ?
C21 C24 1.520(11) . ?
C22 C24 1.578(12) . ?
C23 C24 1.533(11) . ?
C24 P2 1.877(8) . ?
C25 C26 1.498(11) . ?
C26 C27 1.412(10) . ?
C26 C31 1.416(11) . ?
C26 Ru1 2.230(6) . ?
C27 C28 1.407(10) . ?
C27 Ru1 2.204(6) . ?
C28 C29 1.408(9) . ?
C28 Ru1 2.300(6) . ?
C29 C30 1.440(10) . ?
C29 C32 1.524(10) . ?
C29 Ru1 2.312(6) . ?
C30 C31 1.385(10) . ?
C30 Ru1 2.192(6) . ?
C31 Ru1 2.180(6) . ?
C32 C34 1.519(11) . ?
C32 C33 1.522(11) . ?
C35 C40 1.371(9) . ?
C35 C36 1.372(9) . ?
C35 C41 1.487(9) . ?
C36 C37 1.380(10) . ?
C37 C38 1.378(10) . ?
C38 C39 1.374(10) . ?
C39 C40 1.374(10) . ?
C42 C43 1.370(9) . ?
C42 C47 1.381(9) . ?
C42 C48 1.484(9) . ?
C43 C44 1.380(10) . ?
C44 C45 1.371(10) . ?
C45 C46 1.375(10) . ?
C46 C47 1.374(10) . ?
Cl1 Sn01 2.4634(16) . ?
Cl2 Ru1 2.4102(15) . ?
N1 Sn01 2.067(5) . ?
N2 Sn01 2.043(5) . ?
P1 Ru1 2.3976(16) . ?
Ru1 Sn01 2.5716(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 C4 C2 107.1(6) . . ?
C3 C4 C1 109.4(6) . . ?
C2 C4 C1 108.8(6) . . ?
C3 C4 P1 114.9(5) . . ?
C2 C4 P1 107.9(5) . . ?
C1 C4 P1 108.6(5) . . ?
C7 C8 C6 108.4(6) . . ?
C7 C8 C5 107.2(6) . . ?
C6 C8 C5 108.2(6) . . ?
C7 C8 P1 107.5(5) . . ?
C6 C8 P1 113.1(5) . . ?
C5 C8 P1 112.2(5) . . ?
N1 C9 P1 113.5(4) . . ?
N1 C10 C11 124.3(6) . . ?
N1 C10 C15 116.1(5) . . ?
C11 C10 C15 119.6(6) . . ?
C12 C11 C10 119.9(7) . . ?
C13 C12 C11 120.9(6) . . ?
C12 C13 C14 120.0(6) . . ?
C13 C14 C15 120.6(6) . . ?
N2 C15 C14 124.2(6) . . ?
N2 C15 C10 116.9(5) . . ?
C14 C15 C10 118.9(6) . . ?
N2 C16 P2 108.9(4) . . ?
C17 C20 C18 108.0(8) . . ?
C17 C20 C19 108.3(7) . . ?
C18 C20 C19 108.9(7) . . ?
C17 C20 P2 106.6(5) . . ?
C18 C20 P2 108.9(6) . . ?
C19 C20 P2 115.8(6) . . ?
C21 C24 C23 108.7(7) . . ?
C21 C24 C22 108.7(6) . . ?
C23 C24 C22 107.6(7) . . ?
C21 C24 P2 109.4(7) . . ?
C23 C24 P2 118.0(5) . . ?
C22 C24 P2 104.0(5) . . ?
C27 C26 C31 116.3(6) . . ?
C27 C26 C25 122.4(7) . . ?
C31 C26 C25 121.3(7) . . ?
C27 C26 Ru1 70.4(4) . . ?
C31 C26 Ru1 69.4(3) . . ?
C25 C26 Ru1 132.0(5) . . ?
C28 C27 C26 122.8(7) . . ?
C28 C27 Ru1 75.6(4) . . ?
C26 C27 Ru1 72.4(4) . . ?
C27 C28 C29 120.3(6) . . ?
C27 C28 Ru1 68.1(3) . . ?
C29 C28 Ru1 72.7(3) . . ?
C28 C29 C30 116.9(6) . . ?
C28 C29 C32 123.0(6) . . ?
C30 C29 C32 120.0(6) . . ?
C28 C29 Ru1 71.8(4) . . ?
C30 C29 Ru1 66.9(3) . . ?
C32 C29 Ru1 130.5(4) . . ?
C31 C30 C29 121.6(6) . . ?
C31 C30 Ru1 71.1(4) . . ?
C29 C30 Ru1 75.9(4) . . ?
C30 C31 C26 121.7(6) . . ?
C30 C31 Ru1 72.0(4) . . ?
C26 C31 Ru1 73.2(4) . . ?
C34 C32 C33 109.5(6) . . ?
C34 C32 C29 114.0(6) . . ?
C33 C32 C29 110.1(6) . . ?
C40 C35 C36 118.9(15) . . ?
C40 C35 C41 120.4(11) . . ?
C36 C35 C41 120.7(11) . . ?
C35 C36 C37 121.2(16) . . ?
C38 C37 C36 118.6(17) . . ?
C39 C38 C37 121.2(17) . . ?
C40 C39 C38 118.8(18) . . ?
C35 C40 C39 121.4(17) . . ?
C43 C42 C47 118.2(16) . . ?
C43 C42 C48 121.3(11) . . ?
C47 C42 C48 120.5(11) . . ?
C42 C43 C44 121.8(17) . . ?
C45 C44 C43 118.4(18) . . ?
C44 C45 C46 121.4(17) . . ?
C47 C46 C45 118.8(18) . . ?
C46 C47 C42 121.3(17) . . ?
C10 N1 C9 118.3(5) . . ?
C10 N1 Sn01 112.6(4) . . ?
C9 N1 Sn01 120.4(3) . . ?
C15 N2 C16 121.6(5) . . ?
C15 N2 Sn01 113.1(4) . . ?
C16 N2 Sn01 124.9(4) . . ?
C9 P1 C8 102.3(3) . . ?
C9 P1 C4 100.8(3) . . ?
C8 P1 C4 109.0(3) . . ?
C9 P1 Ru1 110.7(2) . . ?
C8 P1 Ru1 118.3(2) . . ?
C4 P1 Ru1 113.7(2) . . ?
C16 P2 C24 102.1(3) . . ?
C16 P2 C20 102.9(3) . . ?
C24 P2 C20 109.7(4) . . ?
C31 Ru1 C30 36.9(3) . . ?
C31 Ru1 C27 66.4(3) . . ?
C30 Ru1 C27 78.1(3) . . ?
C31 Ru1 C26 37.4(3) . . ?
C30 Ru1 C26 67.2(3) . . ?
C27 Ru1 C26 37.1(3) . . ?
C31 Ru1 C28 77.5(3) . . ?
C30 Ru1 C28 65.3(2) . . ?
C27 Ru1 C28 36.3(2) . . ?
C26 Ru1 C28 66.2(2) . . ?
C31 Ru1 C29 66.5(2) . . ?
C30 Ru1 C29 37.2(2) . . ?
C27 Ru1 C29 65.4(2) . . ?
C26 Ru1 C29 78.8(2) . . ?
C28 Ru1 C29 35.5(2) . . ?
C31 Ru1 P1 154.2(2) . . ?
C30 Ru1 P1 166.30(19) . . ?
C27 Ru1 P1 100.1(2) . . ?
C26 Ru1 P1 119.4(2) . . ?
C28 Ru1 P1 105.17(18) . . ?
C29 Ru1 P1 129.74(17) . . ?
C31 Ru1 Cl2 114.87(19) . . ?
C30 Ru1 Cl2 88.07(19) . . ?
C27 Ru1 Cl2 151.97(18) . . ?
C26 Ru1 Cl2 152.3(2) . . ?
C28 Ru1 Cl2 115.65(18) . . ?
C29 Ru1 Cl2 88.89(16) . . ?
P1 Ru1 Cl2 87.53(6) . . ?
C31 Ru1 Sn01 91.73(17) . . ?
C30 Ru1 Sn01 109.31(17) . . ?
C27 Ru1 Sn01 133.34(18) . . ?
C26 Ru1 Sn01 101.56(18) . . ?
C28 Ru1 Sn01 167.66(18) . . ?
C29 Ru1 Sn01 144.04(17) . . ?
P1 Ru1 Sn01 81.91(4) . . ?
Cl2 Ru1 Sn01 74.22(4) . . ?
N2 Sn01 N1 80.8(2) . . ?
N2 Sn01 Cl1 95.22(16) . . ?
N1 Sn01 Cl1 109.73(15) . . ?
N2 Sn01 Ru1 141.08(16) . . ?
N1 Sn01 Ru1 100.31(14) . . ?
Cl1 Sn01 Ru1 119.98(4) . . ?

_refine_diff_density_max         1.323
_refine_diff_density_min         -1.800
_refine_diff_density_rms         0.154

_shelxl_version_number           2014-3

