# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex_1
_database_code_depnum_ccdc_archive 'CCDC 2072598'
loop_
_audit_author_name
_audit_author_address
'Bruno Donnadieu'
;Mississippi State University
United States of America
;
_audit_update_record             
;
2021-03-23 deposited with the CCDC.	2021-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_chemical_name_systematic        'heterobimetallc ruthenium gallate complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C51 H51 Cl2 Ga P2 Ru'
_chemical_formula_sum            'C51 H51 Cl2 Ga P2 Ru'
_chemical_formula_weight         967.55

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'
Ga Ga 0.2307 1.6083 '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'

_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                   12.004(2)
_cell_length_b                   13.159(2)
_cell_length_c                   14.922(2)
_cell_angle_alpha                86.296(4)
_cell_angle_beta                 87.495(6)
_cell_angle_gamma                71.750(4)
_cell_volume                     2233.1(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2805
_cell_measurement_theta_min      2.277
_cell_measurement_theta_max      30.508

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_F_000             992
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.375
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.151
_exptl_absorpt_coefficient_mu    1.167
_shelx_estimated_absorpt_T_min   0.669
_shelx_estimated_absorpt_T_max   0.843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_T_max  0.843
_exptl_absorpt_process_details   Sadabs
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker AXS D8 Venture  '
_diffrn_measurement_method       'profile data from θ/2θ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            86362
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.277
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             13617
_reflns_number_gt                12366
_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       'APEX3 v2019.1.0'
_computing_cell_refinement       'APEX3 v2019.1.0'
_computing_data_reduction        'Saint, APEX v2019.1.0.'
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXTL-2018/3
_computing_molecular_graphics    'Mercury V.4.2.0,POV-Ray v 3.7'
_computing_publication_material  'APEX3 v2019.1.0'
_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)+(0.0165P)²+2.1604P] 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-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0077(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         13617
_refine_ls_number_parameters     518
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0254
_refine_ls_wR_factor_ref         0.0579
_refine_ls_wR_factor_gt          0.0553
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.23085(2) 0.77902(2) 0.28867(2) 0.00946(3) Uani 1 1 d . . . . .
P1 P 0.35557(3) 0.65466(3) 0.19119(2) 0.00962(6) Uani 1 1 d . . . . .
P2 P 0.13650(3) 0.66131(3) 0.35720(2) 0.01023(6) Uani 1 1 d . . . . .
C1 C 0.36303(12) 0.72077(11) 0.38909(10) 0.0150(3) Uani 1 1 d . . . . .
H1A H 0.440983 0.707581 0.360531 0.022 Uiso 1 1 calc R U . . .
H1B H 0.356599 0.653873 0.418262 0.022 Uiso 1 1 calc R U . . .
H1C H 0.351576 0.774369 0.434122 0.022 Uiso 1 1 calc R U . . .
C2 C 0.19471(13) 0.91038(11) 0.17481(10) 0.0176(3) Uani 1 1 d . . . . .
H2 H 0.215717 0.900029 0.113174 0.021 Uiso 1 1 calc R U . . .
C3 C 0.27530(13) 0.92889(11) 0.23329(11) 0.0188(3) Uani 1 1 d . . . . .
H3 H 0.348502 0.934435 0.210650 0.023 Uiso 1 1 calc R U . . .
C4 C 0.24591(14) 0.93895(11) 0.32485(11) 0.0201(3) Uani 1 1 d . . . . .
H4 H 0.299252 0.952373 0.364168 0.024 Uiso 1 1 calc R U . . .
C5 C 0.13785(14) 0.92939(11) 0.35963(11) 0.0187(3) Uani 1 1 d . . . . .
H5 H 0.119331 0.934481 0.422064 0.022 Uiso 1 1 calc R U . . .
C6 C 0.05802(13) 0.91220(11) 0.30027(11) 0.0179(3) Uani 1 1 d . . . . .
H6 H -0.013927 0.903935 0.323158 0.021 Uiso 1 1 calc R U . . .
C7 C 0.08411(13) 0.90714(11) 0.20693(10) 0.0174(3) Uani 1 1 d . . . . .
H7 H 0.027517 0.901630 0.166529 0.021 Uiso 1 1 calc R U . . .
C8 C 0.41878(12) 0.72872(11) 0.10493(9) 0.0127(2) Uani 1 1 d . . . . .
C9 C 0.38500(13) 0.74520(12) 0.01557(10) 0.0163(3) Uani 1 1 d . . . . .
H9 H 0.330626 0.712997 -0.004551 0.020 Uiso 1 1 calc R U . . .
C10 C 0.43069(14) 0.80884(13) -0.04464(10) 0.0203(3) Uani 1 1 d . . . . .
H10 H 0.407703 0.819171 -0.105521 0.024 Uiso 1 1 calc R U . . .
C11 C 0.50936(14) 0.85690(12) -0.01582(11) 0.0205(3) Uani 1 1 d . . . . .
H11 H 0.538670 0.901585 -0.056480 0.025 Uiso 1 1 calc R U . . .
C12 C 0.54533(13) 0.83953(12) 0.07285(11) 0.0191(3) Uani 1 1 d . . . . .
H12 H 0.600207 0.871435 0.092545 0.023 Uiso 1 1 calc R U . . .
C13 C 0.50076(13) 0.77533(11) 0.13266(10) 0.0161(3) Uani 1 1 d . . . . .
H13 H 0.526243 0.763029 0.192917 0.019 Uiso 1 1 calc R U . . .
C14 C 0.49024(11) 0.54669(10) 0.22307(9) 0.0113(2) Uani 1 1 d . . . . .
C15 C 0.50617(12) 0.49432(11) 0.30802(9) 0.0134(2) Uani 1 1 d . . . . .
H15 H 0.450215 0.519990 0.354927 0.016 Uiso 1 1 calc R U . . .
C16 C 0.60366(12) 0.40446(12) 0.32475(10) 0.0169(3) Uani 1 1 d . . . . .
H16 H 0.613761 0.369601 0.382962 0.020 Uiso 1 1 calc R U . . .
C17 C 0.68579(12) 0.36587(12) 0.25683(11) 0.0182(3) Uani 1 1 d . . . . .
H17 H 0.751248 0.303970 0.268177 0.022 Uiso 1 1 calc R U . . .
C18 C 0.67208(12) 0.41802(12) 0.17205(10) 0.0164(3) Uani 1 1 d . . . . .
H18 H 0.728723 0.392257 0.125594 0.020 Uiso 1 1 calc R U . . .
C19 C 0.57548(12) 0.50789(11) 0.15524(10) 0.0138(2) Uani 1 1 d . . . . .
H19 H 0.566921 0.543495 0.097317 0.017 Uiso 1 1 calc R U . . .
C20 C 0.28333(11) 0.58283(11) 0.12381(9) 0.0114(2) Uani 1 1 d . . . . .
C21 C 0.17258(12) 0.63947(11) 0.09097(10) 0.0145(2) Uani 1 1 d . . . . .
H21 H 0.137194 0.712096 0.105144 0.017 Uiso 1 1 calc R U . . .
C22 C 0.11342(13) 0.59130(12) 0.03795(10) 0.0176(3) Uani 1 1 d . . . . .
H22 H 0.038461 0.631058 0.015696 0.021 Uiso 1 1 calc R U . . .
C23 C 0.16412(13) 0.48469(13) 0.01748(10) 0.0187(3) Uani 1 1 d . . . . .
H23 H 0.123922 0.451466 -0.018794 0.022 Uiso 1 1 calc R U . . .
C24 C 0.27371(13) 0.42705(12) 0.05028(11) 0.0185(3) Uani 1 1 d . . . . .
H24 H 0.308116 0.354106 0.036685 0.022 Uiso 1 1 calc R U . . .
C25 C 0.33336(12) 0.47532(11) 0.10283(10) 0.0148(3) Uani 1 1 d . . . . .
H25 H 0.408465 0.435319 0.124686 0.018 Uiso 1 1 calc R U . . .
C26 C 0.05663(12) 0.71775(11) 0.46022(9) 0.0133(2) Uani 1 1 d . . . . .
C27 C 0.11276(13) 0.75828(11) 0.52301(10) 0.0165(3) Uani 1 1 d . . . . .
H27 H 0.192515 0.754889 0.512961 0.020 Uiso 1 1 calc R U . . .
C28 C 0.05282(14) 0.80358(12) 0.60015(10) 0.0196(3) Uani 1 1 d . . . . .
H28 H 0.092080 0.830287 0.642449 0.024 Uiso 1 1 calc R U . . .
C29 C -0.06422(14) 0.80979(12) 0.61538(10) 0.0210(3) Uani 1 1 d . . . . .
H29 H -0.104758 0.840153 0.668173 0.025 Uiso 1 1 calc R U . . .
C30 C -0.12111(14) 0.77167(13) 0.55347(11) 0.0235(3) Uani 1 1 d . . . . .
H30 H -0.201460 0.777077 0.563223 0.028 Uiso 1 1 calc R U . . .
C31 C -0.06138(13) 0.72511(12) 0.47642(11) 0.0190(3) Uani 1 1 d . . . . .
H31 H -0.101213 0.698210 0.434673 0.023 Uiso 1 1 calc R U . . .
C32 C 0.01989(12) 0.63075(11) 0.29932(9) 0.0136(2) Uani 1 1 d . . . . .
C33 C -0.04768(13) 0.70396(12) 0.23637(10) 0.0177(3) Uani 1 1 d . . . . .
H33 H -0.028141 0.767095 0.218809 0.021 Uiso 1 1 calc R U . . .
C34 C -0.14341(14) 0.68635(14) 0.19866(12) 0.0236(3) Uani 1 1 d . . . . .
H34 H -0.188789 0.737280 0.155741 0.028 Uiso 1 1 calc R U . . .
C35 C -0.17270(14) 0.59433(14) 0.22372(12) 0.0254(3) Uani 1 1 d . . . . .
H35 H -0.237576 0.581750 0.197509 0.031 Uiso 1 1 calc R U . . .
C36 C -0.10708(15) 0.52096(13) 0.28700(12) 0.0249(3) Uani 1 1 d . . . . .
H36 H -0.127498 0.458250 0.304528 0.030 Uiso 1 1 calc R U . . .
C37 C -0.01135(14) 0.53848(12) 0.32513(11) 0.0200(3) Uani 1 1 d . . . . .
H37 H 0.033016 0.487904 0.368740 0.024 Uiso 1 1 calc R U . . .
C38 C 0.22622(12) 0.52666(11) 0.39454(10) 0.0135(2) Uani 1 1 d . . . . .
C39 C 0.26559(13) 0.50078(12) 0.48207(10) 0.0174(3) Uani 1 1 d . . . . .
H39 H 0.241019 0.552690 0.526217 0.021 Uiso 1 1 calc R U . . .
C40 C 0.34121(14) 0.39851(13) 0.50502(12) 0.0240(3) Uani 1 1 d . . . . .
H40 H 0.368000 0.381123 0.564741 0.029 Uiso 1 1 calc R U . . .
C41 C 0.37723(14) 0.32238(12) 0.44088(13) 0.0264(4) Uani 1 1 d . . . . .
H41 H 0.429771 0.253423 0.456504 0.032 Uiso 1 1 calc R U . . .
C42 C 0.33670(14) 0.34667(12) 0.35388(12) 0.0240(3) Uani 1 1 d . . . . .
H42 H 0.360410 0.294079 0.310249 0.029 Uiso 1 1 calc R U . . .
C43 C 0.26125(13) 0.44831(11) 0.33083(11) 0.0179(3) Uani 1 1 d . . . . .
H43 H 0.233250 0.464727 0.271381 0.022 Uiso 1 1 calc R U . . .
Ga1 Ga 0.63743(2) -0.00633(2) 0.32147(2) 0.01537(4) Uani 1 1 d . . . . .
Cl1 Cl 0.76672(3) -0.01025(4) 0.20399(3) 0.02980(9) Uani 1 1 d . . . . .
Cl2 Cl 0.46221(3) 0.08578(3) 0.26144(3) 0.02177(7) Uani 1 1 d . . . . .
C44 C 0.63127(16) -0.15248(13) 0.35200(12) 0.0262(3) Uani 1 1 d . . . . .
H44A H 0.697469 -0.191316 0.389927 0.039 Uiso 1 1 calc R U . . .
H44B H 0.635821 -0.190158 0.296755 0.039 Uiso 1 1 calc R U . . .
H44C H 0.557464 -0.148646 0.384515 0.039 Uiso 1 1 calc R U . . .
C45 C 0.67844(16) 0.08423(15) 0.41159(12) 0.0287(4) Uani 1 1 d . . . . .
H45A H 0.626663 0.088975 0.464832 0.043 Uiso 1 1 calc R U . . .
H45B H 0.668323 0.156288 0.384453 0.043 Uiso 1 1 calc R U . . .
H45C H 0.760189 0.051233 0.429085 0.043 Uiso 1 1 calc R U . . .
C1S C 1.00490(16) 0.75877(15) 0.83835(11) 0.0262(3) Uani 1 1 d . . . . .
H1S H 1.039199 0.717633 0.788462 0.031 Uiso 1 1 calc R U . . .
C2S C 1.06657(14) 0.81421(13) 0.87968(12) 0.0235(3) Uani 1 1 d . . . . .
H2S H 1.142287 0.812849 0.857239 0.028 Uiso 1 1 calc R U . . .
C3S C 1.01829(16) 0.87188(13) 0.95385(12) 0.0255(3) Uani 1 1 d . . . . .
H3S H 1.061441 0.909332 0.982654 0.031 Uiso 1 1 calc R U . . .
C4S C 0.90739(17) 0.87530(14) 0.98633(12) 0.0307(4) Uani 1 1 d . . . . .
H4S H 0.874734 0.914386 1.037629 0.037 Uiso 1 1 calc R U . . .
C5S C 0.84402(16) 0.82115(17) 0.94339(13) 0.0345(4) Uani 1 1 d . . . . .
H5S H 0.767402 0.824153 0.964768 0.041 Uiso 1 1 calc R U . . .
C6S C 0.89296(17) 0.76264(17) 0.86917(13) 0.0316(4) Uani 1 1 d . . . . .
H6S H 0.849989 0.725544 0.839730 0.038 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 2.1559(14) . ?
Ru1 C5 2.2509(14) . ?
Ru1 C6 2.2662(14) . ?
Ru1 C4 2.2685(14) . ?
Ru1 C3 2.2950(15) . ?
Ru1 C2 2.2974(14) . ?
Ru1 C7 2.3442(14) . ?
Ru1 P2 2.3496(4) . ?
Ru1 P1 2.3703(4) . ?
P1 C20 1.8354(13) . ?
P1 C8 1.8434(14) . ?
P1 C14 1.8436(14) . ?
P2 C38 1.8274(14) . ?
P2 C32 1.8357(14) . ?
P2 C26 1.8458(14) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C7 1.404(2) . ?
C2 C3 1.416(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.400(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.415(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.411(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.416(2) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.3945(19) . ?
C8 C13 1.4009(19) . ?
C9 C10 1.399(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.393(2) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.3944(19) . ?
C14 C19 1.4075(19) . ?
C15 C16 1.3968(19) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.3908(19) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.3971(19) . ?
C20 C25 1.4031(19) . ?
C21 C22 1.388(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(2) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.401(2) . ?
C26 C27 1.400(2) . ?
C27 C28 1.395(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.379(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.398(2) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.389(2) . ?
C32 C37 1.405(2) . ?
C33 C34 1.390(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.388(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.384(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.392(2) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.393(2) . ?
C38 C43 1.401(2) . ?
C39 C40 1.398(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.387(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.392(2) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
Ga1 C44 1.9709(16) . ?
Ga1 C45 2.0257(15) . ?
Ga1 Cl2 2.2633(5) . ?
Ga1 Cl1 2.2822(5) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C1S C2S 1.377(2) . ?
C1S C6S 1.388(3) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.383(2) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.385(3) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.392(3) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.391(3) . ?
C5S H5S 0.9500 . ?
C6S H6S 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 Ru1 C5 93.67(6) . . ?
C1 Ru1 C6 127.43(6) . . ?
C5 Ru1 C6 36.39(6) . . ?
C1 Ru1 C4 81.64(6) . . ?
C5 Ru1 C4 36.49(6) . . ?
C6 Ru1 C4 64.97(6) . . ?
C1 Ru1 C3 99.80(6) . . ?
C5 Ru1 C3 65.20(6) . . ?
C6 Ru1 C3 76.38(5) . . ?
C4 Ru1 C3 35.73(6) . . ?
C1 Ru1 C2 134.82(6) . . ?
C5 Ru1 C2 76.63(6) . . ?
C6 Ru1 C2 64.38(5) . . ?
C4 Ru1 C2 64.31(6) . . ?
C3 Ru1 C2 35.92(6) . . ?
C1 Ru1 C7 156.39(5) . . ?
C5 Ru1 C7 64.55(6) . . ?
C6 Ru1 C7 35.71(5) . . ?
C4 Ru1 C7 75.32(5) . . ?
C3 Ru1 C7 63.78(5) . . ?
C2 Ru1 C7 35.19(5) . . ?
C1 Ru1 P2 87.50(4) . . ?
C5 Ru1 P2 100.41(4) . . ?
C6 Ru1 P2 87.91(4) . . ?
C4 Ru1 P2 133.66(4) . . ?
C3 Ru1 P2 164.05(4) . . ?
C2 Ru1 P2 137.46(4) . . ?
C7 Ru1 P2 104.64(4) . . ?
C1 Ru1 P1 87.89(4) . . ?
C5 Ru1 P1 163.20(4) . . ?
C6 Ru1 P1 144.64(4) . . ?
C4 Ru1 P1 127.80(4) . . ?
C3 Ru1 P1 98.04(4) . . ?
C2 Ru1 P1 90.42(4) . . ?
C7 Ru1 P1 110.28(4) . . ?
P2 Ru1 P1 96.366(17) . . ?
C20 P1 C8 102.69(6) . . ?
C20 P1 C14 101.17(6) . . ?
C8 P1 C14 99.17(6) . . ?
C20 P1 Ru1 115.85(5) . . ?
C8 P1 Ru1 108.60(5) . . ?
C14 P1 Ru1 126.02(5) . . ?
C38 P2 C32 100.75(6) . . ?
C38 P2 C26 103.89(6) . . ?
C32 P2 C26 100.69(6) . . ?
C38 P2 Ru1 118.49(5) . . ?
C32 P2 Ru1 120.46(5) . . ?
C26 P2 Ru1 110.03(5) . . ?
Ru1 C1 H1A 109.5 . . ?
Ru1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Ru1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C7 C2 C3 120.72(14) . . ?
C7 C2 Ru1 74.22(8) . . ?
C3 C2 Ru1 71.94(8) . . ?
C7 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
Ru1 C2 H2 126.0 . . ?
C4 C3 C2 119.27(14) . . ?
C4 C3 Ru1 71.10(8) . . ?
C2 C3 Ru1 72.13(8) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
Ru1 C3 H3 128.6 . . ?
C3 C4 C5 120.92(14) . . ?
C3 C4 Ru1 73.16(8) . . ?
C5 C4 Ru1 71.08(8) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
Ru1 C4 H4 128.5 . . ?
C6 C5 C4 119.05(14) . . ?
C6 C5 Ru1 72.40(8) . . ?
C4 C5 Ru1 72.43(8) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
Ru1 C5 H5 126.6 . . ?
C5 C6 C7 120.61(14) . . ?
C5 C6 Ru1 71.21(8) . . ?
C7 C6 Ru1 75.15(8) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
Ru1 C6 H6 125.7 . . ?
C2 C7 C6 119.15(14) . . ?
C2 C7 Ru1 70.58(8) . . ?
C6 C7 Ru1 69.14(8) . . ?
C2 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
Ru1 C7 H7 132.8 . . ?
C9 C8 C13 118.78(13) . . ?
C9 C8 P1 123.66(11) . . ?
C13 C8 P1 117.47(11) . . ?
C8 C9 C10 120.41(14) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 120.27(14) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 119.85(14) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 119.93(14) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C8 120.73(14) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
C15 C14 C19 118.47(12) . . ?
C15 C14 P1 123.35(10) . . ?
C19 C14 P1 117.83(10) . . ?
C14 C15 C16 120.58(13) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 120.33(13) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.83(13) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C19 120.02(13) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C14 120.76(13) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C21 C20 C25 118.49(12) . . ?
C21 C20 P1 117.66(10) . . ?
C25 C20 P1 123.84(10) . . ?
C22 C21 C20 121.05(13) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C21 C22 C23 119.88(13) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 119.74(13) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C25 C24 C23 120.44(14) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C20 120.38(13) . . ?
C24 C25 H25 119.8 . . ?
C20 C25 H25 119.8 . . ?
C31 C26 C27 118.28(13) . . ?
C31 C26 P2 121.71(11) . . ?
C27 C26 P2 119.96(11) . . ?
C28 C27 C26 120.70(14) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C29 C28 C27 120.26(14) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C28 119.67(14) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C29 C30 C31 120.46(15) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C26 120.62(14) . . ?
C30 C31 H31 119.7 . . ?
C26 C31 H31 119.7 . . ?
C33 C32 C37 118.54(13) . . ?
C33 C32 P2 120.61(11) . . ?
C37 C32 P2 120.47(11) . . ?
C32 C33 C34 121.07(14) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 H33 119.5 . . ?
C35 C34 C33 119.98(15) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 C34 119.78(14) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C37 120.40(15) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C32 120.23(15) . . ?
C36 C37 H37 119.9 . . ?
C32 C37 H37 119.9 . . ?
C39 C38 C43 119.15(13) . . ?
C39 C38 P2 122.67(11) . . ?
C43 C38 P2 118.10(11) . . ?
C38 C39 C40 120.08(15) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C41 C40 C39 120.20(16) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 120.18(14) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C43 119.77(15) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 H42 120.1 . . ?
C42 C43 C38 120.58(15) . . ?
C42 C43 H43 119.7 . . ?
C38 C43 H43 119.7 . . ?
C44 Ga1 C45 122.85(8) . . ?
C44 Ga1 Cl2 106.10(5) . . ?
C45 Ga1 Cl2 109.10(5) . . ?
C44 Ga1 Cl1 109.41(6) . . ?
C45 Ga1 Cl1 104.65(6) . . ?
Cl2 Ga1 Cl1 103.06(2) . . ?
Ga1 C44 H44A 109.5 . . ?
Ga1 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Ga1 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Ga1 C45 H45A 109.5 . . ?
Ga1 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Ga1 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C2S C1S C6S 120.39(17) . . ?
C2S C1S H1S 119.8 . . ?
C6S C1S H1S 119.8 . . ?
C1S C2S C3S 120.03(16) . . ?
C1S C2S H2S 120.0 . . ?
C3S C2S H2S 120.0 . . ?
C2S C3S C4S 120.34(17) . . ?
C2S C3S H3S 119.8 . . ?
C4S C3S H3S 119.8 . . ?
C3S C4S C5S 119.63(17) . . ?
C3S C4S H4S 120.2 . . ?
C5S C4S H4S 120.2 . . ?
C6S C5S C4S 119.97(17) . . ?
C6S C5S H5S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C1S C6S C5S 119.63(17) . . ?
C1S C6S H6S 120.2 . . ?
C5S C6S H6S 120.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 C2 C3 C4 3.0(2) . . . . ?
Ru1 C2 C3 C4 -55.19(12) . . . . ?
C7 C2 C3 Ru1 58.23(12) . . . . ?
C2 C3 C4 C5 0.9(2) . . . . ?
Ru1 C3 C4 C5 -54.81(12) . . . . ?
C2 C3 C4 Ru1 55.69(12) . . . . ?
C3 C4 C5 C6 -1.6(2) . . . . ?
Ru1 C4 C5 C6 -57.40(12) . . . . ?
C3 C4 C5 Ru1 55.79(12) . . . . ?
C4 C5 C6 C7 -1.5(2) . . . . ?
Ru1 C5 C6 C7 -58.94(12) . . . . ?
C4 C5 C6 Ru1 57.42(12) . . . . ?
C3 C2 C7 C6 -6.1(2) . . . . ?
Ru1 C2 C7 C6 51.04(12) . . . . ?
C3 C2 C7 Ru1 -57.14(12) . . . . ?
C5 C6 C7 C2 5.3(2) . . . . ?
Ru1 C6 C7 C2 -51.70(12) . . . . ?
C5 C6 C7 Ru1 57.04(12) . . . . ?
C20 P1 C8 C9 16.19(13) . . . . ?
C14 P1 C8 C9 119.93(12) . . . . ?
Ru1 P1 C8 C9 -107.00(12) . . . . ?
C20 P1 C8 C13 -167.25(11) . . . . ?
C14 P1 C8 C13 -63.50(12) . . . . ?
Ru1 P1 C8 C13 69.57(11) . . . . ?
C13 C8 C9 C10 -1.2(2) . . . . ?
P1 C8 C9 C10 175.32(11) . . . . ?
C8 C9 C10 C11 -0.5(2) . . . . ?
C9 C10 C11 C12 1.6(2) . . . . ?
C10 C11 C12 C13 -1.0(2) . . . . ?
C11 C12 C13 C8 -0.7(2) . . . . ?
C9 C8 C13 C12 1.8(2) . . . . ?
P1 C8 C13 C12 -174.91(11) . . . . ?
C20 P1 C14 C15 -103.09(12) . . . . ?
C8 P1 C14 C15 151.92(12) . . . . ?
Ru1 P1 C14 C15 30.79(14) . . . . ?
C20 P1 C14 C19 69.89(11) . . . . ?
C8 P1 C14 C19 -35.11(12) . . . . ?
Ru1 P1 C14 C19 -156.23(8) . . . . ?
C19 C14 C15 C16 -1.0(2) . . . . ?
P1 C14 C15 C16 171.96(11) . . . . ?
C14 C15 C16 C17 -0.2(2) . . . . ?
C15 C16 C17 C18 1.1(2) . . . . ?
C16 C17 C18 C19 -0.8(2) . . . . ?
C17 C18 C19 C14 -0.5(2) . . . . ?
C15 C14 C19 C18 1.3(2) . . . . ?
P1 C14 C19 C18 -171.99(11) . . . . ?
C8 P1 C20 C21 -80.99(12) . . . . ?
C14 P1 C20 C21 176.83(11) . . . . ?
Ru1 P1 C20 C21 37.20(12) . . . . ?
C8 P1 C20 C25 98.30(12) . . . . ?
C14 P1 C20 C25 -3.88(13) . . . . ?
Ru1 P1 C20 C25 -143.51(10) . . . . ?
C25 C20 C21 C22 -0.7(2) . . . . ?
P1 C20 C21 C22 178.66(11) . . . . ?
C20 C21 C22 C23 0.5(2) . . . . ?
C21 C22 C23 C24 0.0(2) . . . . ?
C22 C23 C24 C25 -0.5(2) . . . . ?
C23 C24 C25 C20 0.3(2) . . . . ?
C21 C20 C25 C24 0.2(2) . . . . ?
P1 C20 C25 C24 -179.06(11) . . . . ?
C38 P2 C26 C31 -102.80(13) . . . . ?
C32 P2 C26 C31 1.22(13) . . . . ?
Ru1 P2 C26 C31 129.38(11) . . . . ?
C38 P2 C26 C27 79.61(12) . . . . ?
C32 P2 C26 C27 -176.37(11) . . . . ?
Ru1 P2 C26 C27 -48.21(12) . . . . ?
C31 C26 C27 C28 0.8(2) . . . . ?
P2 C26 C27 C28 178.43(11) . . . . ?
C26 C27 C28 C29 -0.5(2) . . . . ?
C27 C28 C29 C30 -0.5(2) . . . . ?
C28 C29 C30 C31 1.2(2) . . . . ?
C29 C30 C31 C26 -0.9(2) . . . . ?
C27 C26 C31 C30 -0.1(2) . . . . ?
P2 C26 C31 C30 -177.71(12) . . . . ?
C38 P2 C32 C33 -159.47(12) . . . . ?
C26 P2 C32 C33 94.01(12) . . . . ?
Ru1 P2 C32 C33 -27.02(14) . . . . ?
C38 P2 C32 C37 27.75(13) . . . . ?
C26 P2 C32 C37 -78.78(13) . . . . ?
Ru1 P2 C32 C37 160.20(10) . . . . ?
C37 C32 C33 C34 -0.7(2) . . . . ?
P2 C32 C33 C34 -173.64(12) . . . . ?
C32 C33 C34 C35 -0.1(2) . . . . ?
C33 C34 C35 C36 0.7(3) . . . . ?
C34 C35 C36 C37 -0.5(3) . . . . ?
C35 C36 C37 C32 -0.3(2) . . . . ?
C33 C32 C37 C36 0.9(2) . . . . ?
P2 C32 C37 C36 173.84(12) . . . . ?
C32 P2 C38 C39 -132.10(12) . . . . ?
C26 P2 C38 C39 -28.13(13) . . . . ?
Ru1 P2 C38 C39 94.25(12) . . . . ?
C32 P2 C38 C43 51.22(12) . . . . ?
C26 P2 C38 C43 155.19(11) . . . . ?
Ru1 P2 C38 C43 -82.42(12) . . . . ?
C43 C38 C39 C40 1.4(2) . . . . ?
P2 C38 C39 C40 -175.21(11) . . . . ?
C38 C39 C40 C41 -0.1(2) . . . . ?
C39 C40 C41 C42 -1.2(2) . . . . ?
C40 C41 C42 C43 1.0(2) . . . . ?
C41 C42 C43 C38 0.3(2) . . . . ?
C39 C38 C43 C42 -1.6(2) . . . . ?
P2 C38 C43 C42 175.23(11) . . . . ?
C6S C1S C2S C3S 1.7(3) . . . . ?
C1S C2S C3S C4S -0.8(3) . . . . ?
C2S C3S C4S C5S -0.6(3) . . . . ?
C3S C4S C5S C6S 1.0(3) . . . . ?
C2S C1S C6S C5S -1.3(3) . . . . ?
C4S C5S C6S C1S -0.1(3) . . . . ?

_refine_diff_density_max         0.789
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.069



_chemical_properties_physical    Air-sensitive,Moisture-sensitive
