# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1472477'
_audit_update_record             
;
2016-04-05 deposited with the CCDC.
2017-04-20 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_shelx               
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)          15 Note
RESPONSE: Reflections behind the Beamstop
;
# Added during the CSD deposition process: Tuesday 05 April 2016 09:23 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ct-[RuCl(CO)(dppb)(bipy)]PF6
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H36 Cl F6 N2 O P3 Ru'
_chemical_formula_weight         892.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   14.6581(2)
_cell_length_b                   16.2338(2)
_cell_length_c                   16.5500(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.7590(10)
_cell_angle_gamma                90
_cell_volume                     3933.62(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    36533
_cell_measurement_theta_min      2.910
_cell_measurement_theta_max      32.032

_exptl_crystal_description       Prism
_exptl_crystal_colour            yellow


_exptl_crystal_density_diffrn    1.506
_exptl_crystal_F_000             1808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_shelx_estimated_absorpt_T_min   0.870
_shelx_estimated_absorpt_T_max   0.886
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
   P. Coppens, L. Leiserowitz, D Rabinovich, Acta Cryst.
   (1965), 18, 1035-1038
;
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_T_max  0.906

_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ scans and ω scans winth κ offsets'
_diffrn_detector_area_resol_mean 9
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'


_diffrn_standards_decay_%        0





_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_diffrn_reflns_number            35061
_diffrn_reflns_av_unetI/netI     0.0553
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.096
_diffrn_reflns_theta_max         32.033
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.796
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.796
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.796
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             10900
_reflns_number_gt                8097
_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.
;



_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)+(0.0805P)²+3.3679P] 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         10900
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.1659
_refine_ls_wR_factor_gt          0.1388
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_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
Ru Ru 0.62890(2) 0.13309(2) 0.67570(2) 0.03760(10) Uani 1 1 d . . . . .
Cl Cl 0.54006(6) 0.01549(6) 0.63171(5) 0.0532(2) Uani 1 1 d . . . . .
P1 P 0.53528(6) 0.20660(6) 0.58060(5) 0.04288(19) Uani 1 1 d . . . . .
P2 P 0.73957(6) 0.07507(5) 0.57776(5) 0.04140(19) Uani 1 1 d . . . . .
O1 O 0.5069(2) 0.1831(2) 0.80823(17) 0.0737(9) Uani 1 1 d . . . . .
N1 N 0.72584(18) 0.21894(18) 0.72336(15) 0.0430(6) Uani 1 1 d . . . . .
N2 N 0.70179(19) 0.06403(19) 0.76703(16) 0.0481(6) Uani 1 1 d . . . . .
C1 C 0.5503(2) 0.1643(2) 0.75527(19) 0.0472(7) Uani 1 1 d . . . . .
C2 C 0.6837(3) -0.0136(3) 0.7871(2) 0.0632(10) Uani 1 1 d . . . . .
H2 H 0.6381 -0.0417 0.7574 0.076 Uiso 1 1 calc R U . . .
C3 C 0.7300(4) -0.0538(4) 0.8499(3) 0.0829(15) Uani 1 1 d . . . . .
H3 H 0.7161 -0.1082 0.8622 0.099 Uiso 1 1 calc R U . . .
C4 C 0.7961(4) -0.0126(4) 0.8934(3) 0.0925(18) Uani 1 1 d . . . . .
H4 H 0.8277 -0.0383 0.9364 0.111 Uiso 1 1 calc R U . . .
C5 C 0.8165(3) 0.0679(4) 0.8736(3) 0.0791(14) Uani 1 1 d . . . . .
H5 H 0.8618 0.0967 0.9030 0.095 Uiso 1 1 calc R U . . .
C6 C 0.7688(3) 0.1047(3) 0.8096(2) 0.0555(9) Uani 1 1 d . . . . .
C7 C 0.7850(2) 0.1896(3) 0.7818(2) 0.0526(8) Uani 1 1 d . . . . .
C8 C 0.8571(3) 0.2377(4) 0.8131(3) 0.0748(13) Uani 1 1 d . . . . .
H8 H 0.8987 0.2160 0.8516 0.090 Uiso 1 1 calc R U . . .
C9 C 0.8666(3) 0.3172(4) 0.7868(3) 0.0810(15) Uani 1 1 d . . . . .
H9 H 0.9148 0.3495 0.8070 0.097 Uiso 1 1 calc R U . . .
C10 C 0.8047(3) 0.3484(3) 0.7308(3) 0.0688(12) Uani 1 1 d . . . . .
H10 H 0.8088 0.4027 0.7134 0.083 Uiso 1 1 calc R U . . .
C11 C 0.7354(3) 0.2970(2) 0.7003(2) 0.0535(8) Uani 1 1 d . . . . .
H11 H 0.6934 0.3183 0.6618 0.064 Uiso 1 1 calc R U . . .
C111 C 0.4106(2) 0.1997(2) 0.5918(2) 0.0518(8) Uani 1 1 d . . . . .
C112 C 0.3703(3) 0.1490(3) 0.6466(2) 0.0600(10) Uani 1 1 d . . . . .
H112 H 0.4066 0.1147 0.6797 0.072 Uiso 1 1 calc R U . . .
C113 C 0.2763(3) 0.1486(4) 0.6532(3) 0.0799(14) Uani 1 1 d . . . . .
H113 H 0.2499 0.1140 0.6903 0.096 Uiso 1 1 calc R U . . .
C114 C 0.2221(3) 0.1994(4) 0.6046(4) 0.0873(17) Uani 1 1 d . . . . .
H114 H 0.1593 0.2000 0.6101 0.105 Uiso 1 1 calc R U . . .
C115 C 0.2595(3) 0.2484(4) 0.5488(3) 0.0799(14) Uani 1 1 d . . . . .
H115 H 0.2223 0.2809 0.5147 0.096 Uiso 1 1 calc R U . . .
C116 C 0.3544(3) 0.2499(3) 0.5426(3) 0.0640(10) Uani 1 1 d . . . . .
H116 H 0.3802 0.2847 0.5053 0.077 Uiso 1 1 calc R U . . .
C121 C 0.5489(2) 0.3189(2) 0.5838(2) 0.0511(8) Uani 1 1 d . . . . .
C122 C 0.5257(3) 0.3599(3) 0.6541(3) 0.0614(10) Uani 1 1 d . . . . .
H122 H 0.4966 0.3311 0.6941 0.074 Uiso 1 1 calc R U . . .
C123 C 0.5453(3) 0.4424(3) 0.6653(3) 0.0752(12) Uani 1 1 d . . . . .
H123 H 0.5299 0.4687 0.7127 0.090 Uiso 1 1 calc R U . . .
C124 C 0.5878(4) 0.4858(3) 0.6063(4) 0.0891(16) Uani 1 1 d . . . . .
H124 H 0.6024 0.5411 0.6140 0.107 Uiso 1 1 calc R U . . .
C125 C 0.6083(4) 0.4465(3) 0.5356(4) 0.0961(18) Uani 1 1 d . . . . .
H125 H 0.6356 0.4759 0.4951 0.115 Uiso 1 1 calc R U . . .
C126 C 0.5888(4) 0.3635(3) 0.5242(3) 0.0712(12) Uani 1 1 d . . . . .
H126 H 0.6028 0.3379 0.4761 0.085 Uiso 1 1 calc R U . . .
C131 C 0.5433(2) 0.1773(2) 0.47389(19) 0.0503(8) Uani 1 1 d . . . . .
H13A H 0.5220 0.1210 0.4675 0.060 Uiso 1 1 calc R U . . .
H13B H 0.5020 0.2121 0.4415 0.060 Uiso 1 1 calc R U . . .
C132 C 0.6385(2) 0.1833(3) 0.4397(2) 0.0540(8) Uani 1 1 d . . . . .
H13C H 0.6351 0.2195 0.3930 0.065 Uiso 1 1 calc R U . . .
H13D H 0.6798 0.2084 0.4801 0.065 Uiso 1 1 calc R U . . .
C211 C 0.7909(3) -0.0173(2) 0.6240(2) 0.0505(8) Uani 1 1 d . . . . .
C212 C 0.8670(3) -0.0098(3) 0.6765(2) 0.0563(9) Uani 1 1 d . . . . .
H212 H 0.8946 0.0413 0.6843 0.068 Uiso 1 1 calc R U . . .
C213 C 0.9023(3) -0.0780(3) 0.7174(3) 0.0708(11) Uani 1 1 d . . . . .
H213 H 0.9525 -0.0723 0.7534 0.085 Uiso 1 1 calc R U . . .
C214 C 0.8630(4) -0.1541(3) 0.7046(3) 0.0809(14) Uani 1 1 d . . . . .
H214 H 0.8872 -0.1999 0.7317 0.097 Uiso 1 1 calc R U . . .
C215 C 0.7884(4) -0.1628(3) 0.6523(3) 0.0817(14) Uani 1 1 d . . . . .
H215 H 0.7621 -0.2144 0.6437 0.098 Uiso 1 1 calc R U . . .
C216 C 0.7521(3) -0.0943(2) 0.6120(3) 0.0638(10) Uani 1 1 d . . . . .
H216 H 0.7012 -0.1002 0.5767 0.077 Uiso 1 1 calc R U . . .
C221 C 0.8415(2) 0.1299(2) 0.5452(2) 0.0474(8) Uani 1 1 d . . . . .
C222 C 0.9077(3) 0.0881(3) 0.5047(3) 0.0666(11) Uani 1 1 d . . . . .
H222 H 0.9013 0.0319 0.4950 0.080 Uiso 1 1 calc R U . . .
C223 C 0.9833(3) 0.1291(4) 0.4785(3) 0.0806(15) Uani 1 1 d . . . . .
H223 H 1.0272 0.1002 0.4512 0.097 Uiso 1 1 calc R U . . .
C224 C 0.9947(3) 0.2112(4) 0.4920(3) 0.0796(15) Uani 1 1 d . . . . .
H224 H 1.0462 0.2378 0.4743 0.096 Uiso 1 1 calc R U . . .
C225 C 0.9304(3) 0.2550(3) 0.5316(3) 0.0757(13) Uani 1 1 d . . . . .
H225 H 0.9377 0.3111 0.5410 0.091 Uiso 1 1 calc R U . . .
C226 C 0.8535(3) 0.2133(3) 0.5577(2) 0.0590(9) Uani 1 1 d . . . . .
H226 H 0.8093 0.2426 0.5842 0.071 Uiso 1 1 calc R U . . .
C231 C 0.6878(2) 0.0367(2) 0.4814(2) 0.0509(8) Uani 1 1 d . . . . .
H23A H 0.7246 -0.0085 0.4627 0.061 Uiso 1 1 calc R U . . .
H23B H 0.6276 0.0151 0.4911 0.061 Uiso 1 1 calc R U . . .
C232 C 0.6786(3) 0.1011(3) 0.4146(2) 0.0556(9) Uani 1 1 d . . . . .
H23C H 0.6404 0.0787 0.3704 0.067 Uiso 1 1 calc R U . . .
H23D H 0.7386 0.1110 0.3942 0.067 Uiso 1 1 calc R U . . .
P3 P 0.89023(10) 0.57333(8) 0.63684(9) 0.0754(3) Uani 1 1 d . . . . .
F31 F 0.8443(6) 0.5008(4) 0.5938(3) 0.217(4) Uani 1 1 d . . . . .
F32 F 0.9206(5) 0.6060(4) 0.5546(3) 0.203(3) Uani 1 1 d . . . . .
F33 F 0.9312(9) 0.6459(5) 0.6745(4) 0.296(6) Uani 1 1 d . . . . .
F34 F 0.8599(5) 0.5390(3) 0.7172(3) 0.206(3) Uani 1 1 d . . . . .
F35 F 0.9698(5) 0.5231(7) 0.6466(7) 0.323(6) Uani 1 1 d . . . . .
F36 F 0.8079(6) 0.6226(6) 0.6278(10) 0.358(7) 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
Ru C1 1.861(3) . ?
Ru N1 2.116(3) . ?
Ru N2 2.128(3) . ?
Ru P1 2.3614(9) . ?
Ru Cl 2.4039(9) . ?
Ru P2 2.5295(8) . ?
P1 C121 1.834(4) . ?
P1 C131 1.838(3) . ?
P1 C111 1.849(3) . ?
P2 C211 1.828(4) . ?
P2 C221 1.841(4) . ?
P2 C231 1.842(3) . ?
O1 C1 1.148(4) . ?
N1 C11 1.333(5) . ?
N1 C7 1.354(5) . ?
N2 C2 1.333(5) . ?
N2 C6 1.353(5) . ?
C2 C3 1.379(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.475(6) . ?
C7 C8 1.394(5) . ?
C8 C9 1.370(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.362(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.391(5) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C111 C112 1.378(6) . ?
C111 C116 1.393(6) . ?
C112 C113 1.387(6) . ?
C112 H112 0.9300 . ?
C113 C114 1.377(8) . ?
C113 H113 0.9300 . ?
C114 C115 1.355(8) . ?
C114 H114 0.9300 . ?
C115 C116 1.400(6) . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C121 C126 1.376(6) . ?
C121 C122 1.397(5) . ?
C122 C123 1.381(6) . ?
C122 H122 0.9300 . ?
C123 C124 1.377(7) . ?
C123 H123 0.9300 . ?
C124 C125 1.378(8) . ?
C124 H124 0.9300 . ?
C125 C126 1.389(7) . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
C131 C132 1.535(5) . ?
C131 H13A 0.9700 . ?
C131 H13B 0.9700 . ?
C132 C232 1.524(6) . ?
C132 H13C 0.9700 . ?
C132 H13D 0.9700 . ?
C211 C216 1.384(5) . ?
C211 C212 1.386(5) . ?
C212 C213 1.384(6) . ?
C212 H212 0.9300 . ?
C213 C214 1.375(7) . ?
C213 H213 0.9300 . ?
C214 C215 1.369(8) . ?
C214 H214 0.9300 . ?
C215 C216 1.390(6) . ?
C215 H215 0.9300 . ?
C216 H216 0.9300 . ?
C221 C226 1.380(5) . ?
C221 C222 1.384(5) . ?
C222 C223 1.380(6) . ?
C222 H222 0.9300 . ?
C223 C224 1.359(8) . ?
C223 H223 0.9300 . ?
C224 C225 1.372(7) . ?
C224 H224 0.9300 . ?
C225 C226 1.400(6) . ?
C225 H225 0.9300 . ?
C226 H226 0.9300 . ?
C231 C232 1.523(5) . ?
C231 H23A 0.9700 . ?
C231 H23B 0.9700 . ?
C232 H23C 0.9700 . ?
C232 H23D 0.9700 . ?
P3 F35 1.426(6) . ?
P3 F36 1.449(7) . ?
P3 F33 1.450(5) . ?
P3 F31 1.517(5) . ?
P3 F34 1.528(4) . ?
P3 F32 1.546(5) . ?

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 Ru N1 89.11(12) . . ?
C1 Ru N2 86.98(13) . . ?
N1 Ru N2 77.11(12) . . ?
C1 Ru P1 88.54(11) . . ?
N1 Ru P1 105.90(8) . . ?
N2 Ru P1 174.57(8) . . ?
C1 Ru Cl 94.91(11) . . ?
N1 Ru Cl 168.63(8) . . ?
N2 Ru Cl 92.46(9) . . ?
P1 Ru Cl 84.87(3) . . ?
C1 Ru P2 173.00(12) . . ?
N1 Ru P2 92.54(7) . . ?
N2 Ru P2 86.76(8) . . ?
P1 Ru P2 97.53(3) . . ?
Cl Ru P2 82.24(3) . . ?
C121 P1 C131 105.84(17) . . ?
C121 P1 C111 99.45(17) . . ?
C131 P1 C111 100.92(16) . . ?
C121 P1 Ru 115.10(12) . . ?
C131 P1 Ru 116.60(12) . . ?
C111 P1 Ru 116.61(13) . . ?
C211 P2 C221 101.25(17) . . ?
C211 P2 C231 103.25(17) . . ?
C221 P2 C231 102.49(16) . . ?
C211 P2 Ru 107.53(11) . . ?
C221 P2 Ru 124.18(12) . . ?
C231 P2 Ru 115.51(12) . . ?
C11 N1 C7 117.8(3) . . ?
C11 N1 Ru 126.7(2) . . ?
C7 N1 Ru 115.5(2) . . ?
C2 N2 C6 118.7(3) . . ?
C2 N2 Ru 125.2(3) . . ?
C6 N2 Ru 116.1(3) . . ?
O1 C1 Ru 175.2(3) . . ?
N2 C2 C3 122.6(5) . . ?
N2 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
C4 C3 C2 118.7(5) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C3 C4 C5 119.8(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 119.0(5) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
N2 C6 C5 121.1(4) . . ?
N2 C6 C7 114.7(3) . . ?
C5 C6 C7 124.2(4) . . ?
N1 C7 C8 121.0(4) . . ?
N1 C7 C6 116.4(3) . . ?
C8 C7 C6 122.6(4) . . ?
C9 C8 C7 119.8(5) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 119.5(4) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C10 C11 118.4(5) . . ?
C9 C10 H10 120.8 . . ?
C11 C10 H10 120.8 . . ?
N1 C11 C10 123.4(4) . . ?
N1 C11 H11 118.3 . . ?
C10 C11 H11 118.3 . . ?
C112 C111 C116 118.3(4) . . ?
C112 C111 P1 124.0(3) . . ?
C116 C111 P1 117.7(3) . . ?
C111 C112 C113 120.9(5) . . ?
C111 C112 H112 119.5 . . ?
C113 C112 H112 119.5 . . ?
C114 C113 C112 119.9(5) . . ?
C114 C113 H113 120.1 . . ?
C112 C113 H113 120.1 . . ?
C115 C114 C113 120.6(4) . . ?
C115 C114 H114 119.7 . . ?
C113 C114 H114 119.7 . . ?
C114 C115 C116 119.7(5) . . ?
C114 C115 H115 120.1 . . ?
C116 C115 H115 120.1 . . ?
C111 C116 C115 120.6(5) . . ?
C111 C116 H116 119.7 . . ?
C115 C116 H116 119.7 . . ?
C126 C121 C122 118.4(4) . . ?
C126 C121 P1 123.5(3) . . ?
C122 C121 P1 117.8(3) . . ?
C123 C122 C121 121.1(4) . . ?
C123 C122 H122 119.4 . . ?
C121 C122 H122 119.4 . . ?
C124 C123 C122 120.0(5) . . ?
C124 C123 H123 120.0 . . ?
C122 C123 H123 120.0 . . ?
C123 C124 C125 119.3(5) . . ?
C123 C124 H124 120.4 . . ?
C125 C124 H124 120.4 . . ?
C124 C125 C126 120.8(5) . . ?
C124 C125 H125 119.6 . . ?
C126 C125 H125 119.6 . . ?
C121 C126 C125 120.4(5) . . ?
C121 C126 H126 119.8 . . ?
C125 C126 H126 119.8 . . ?
C132 C131 P1 116.1(2) . . ?
C132 C131 H13A 108.3 . . ?
P1 C131 H13A 108.3 . . ?
C132 C131 H13B 108.3 . . ?
P1 C131 H13B 108.3 . . ?
H13A C131 H13B 107.4 . . ?
C232 C132 C131 114.5(3) . . ?
C232 C132 H13C 108.6 . . ?
C131 C132 H13C 108.6 . . ?
C232 C132 H13D 108.6 . . ?
C131 C132 H13D 108.6 . . ?
H13C C132 H13D 107.6 . . ?
C216 C211 C212 118.8(4) . . ?
C216 C211 P2 121.5(3) . . ?
C212 C211 P2 119.6(3) . . ?
C213 C212 C211 120.5(4) . . ?
C213 C212 H212 119.7 . . ?
C211 C212 H212 119.8 . . ?
C214 C213 C212 119.9(5) . . ?
C214 C213 H213 120.0 . . ?
C212 C213 H213 120.0 . . ?
C215 C214 C213 120.4(4) . . ?
C215 C214 H214 119.8 . . ?
C213 C214 H214 119.8 . . ?
C214 C215 C216 119.8(5) . . ?
C214 C215 H215 120.1 . . ?
C216 C215 H215 120.1 . . ?
C211 C216 C215 120.6(5) . . ?
C211 C216 H216 119.7 . . ?
C215 C216 H216 119.7 . . ?
C226 C221 C222 117.8(4) . . ?
C226 C221 P2 122.0(3) . . ?
C222 C221 P2 120.2(3) . . ?
C223 C222 C221 120.5(5) . . ?
C223 C222 H222 119.7 . . ?
C221 C222 H222 119.7 . . ?
C224 C223 C222 121.0(4) . . ?
C224 C223 H223 119.5 . . ?
C222 C223 H223 119.5 . . ?
C223 C224 C225 120.3(4) . . ?
C223 C224 H224 119.8 . . ?
C225 C224 H224 119.8 . . ?
C224 C225 C226 118.6(5) . . ?
C224 C225 H225 120.7 . . ?
C226 C225 H225 120.7 . . ?
C221 C226 C225 121.8(4) . . ?
C221 C226 H226 119.1 . . ?
C225 C226 H226 119.1 . . ?
C232 C231 P2 114.5(3) . . ?
C232 C231 H23A 108.6 . . ?
P2 C231 H23A 108.6 . . ?
C232 C231 H23B 108.6 . . ?
P2 C231 H23B 108.6 . . ?
H23A C231 H23B 107.6 . . ?
C231 C232 C132 115.2(3) . . ?
C231 C232 H23C 108.5 . . ?
C132 C232 H23C 108.5 . . ?
C231 C232 H23D 108.5 . . ?
C132 C232 H23D 108.5 . . ?
H23C C232 H23D 107.5 . . ?
F35 P3 F36 178.4(6) . . ?
F35 P3 F33 95.5(7) . . ?
F36 P3 F33 85.6(7) . . ?
F35 P3 F31 87.3(6) . . ?
F36 P3 F31 91.7(7) . . ?
F33 P3 F31 176.6(6) . . ?
F35 P3 F34 87.9(5) . . ?
F36 P3 F34 90.9(6) . . ?
F33 P3 F34 93.1(4) . . ?
F31 P3 F34 89.1(3) . . ?
F35 P3 F32 91.6(5) . . ?
F36 P3 F32 89.6(6) . . ?
F33 P3 F32 88.3(4) . . ?
F31 P3 F32 89.6(3) . . ?
F34 P3 F32 178.6(3) . . ?

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
C6 N2 C2 C3 0.6(6) . . . . ?
Ru N2 C2 C3 -176.2(3) . . . . ?
N2 C2 C3 C4 0.4(7) . . . . ?
C2 C3 C4 C5 -0.7(8) . . . . ?
C3 C4 C5 C6 0.0(8) . . . . ?
C2 N2 C6 C5 -1.4(5) . . . . ?
Ru N2 C6 C5 175.8(3) . . . . ?
C2 N2 C6 C7 178.7(3) . . . . ?
Ru N2 C6 C7 -4.1(4) . . . . ?
C4 C5 C6 N2 1.1(7) . . . . ?
C4 C5 C6 C7 -179.1(4) . . . . ?
C11 N1 C7 C8 -4.1(5) . . . . ?
Ru N1 C7 C8 174.3(3) . . . . ?
C11 N1 C7 C6 176.1(3) . . . . ?
Ru N1 C7 C6 -5.5(4) . . . . ?
N2 C6 C7 N1 6.3(4) . . . . ?
C5 C6 C7 N1 -173.5(4) . . . . ?
N2 C6 C7 C8 -173.4(3) . . . . ?
C5 C6 C7 C8 6.7(6) . . . . ?
N1 C7 C8 C9 2.6(6) . . . . ?
C6 C7 C8 C9 -177.7(4) . . . . ?
C7 C8 C9 C10 0.6(7) . . . . ?
C8 C9 C10 C11 -2.0(7) . . . . ?
C7 N1 C11 C10 2.6(5) . . . . ?
Ru N1 C11 C10 -175.6(3) . . . . ?
C9 C10 C11 N1 0.4(6) . . . . ?
C121 P1 C111 C112 -130.5(3) . . . . ?
C131 P1 C111 C112 121.2(3) . . . . ?
Ru P1 C111 C112 -6.2(4) . . . . ?
C121 P1 C111 C116 48.3(3) . . . . ?
C131 P1 C111 C116 -60.0(3) . . . . ?
Ru P1 C111 C116 172.7(2) . . . . ?
C116 C111 C112 C113 -0.5(6) . . . . ?
P1 C111 C112 C113 178.3(3) . . . . ?
C111 C112 C113 C114 -0.2(7) . . . . ?
C112 C113 C114 C115 1.7(8) . . . . ?
C113 C114 C115 C116 -2.5(8) . . . . ?
C112 C111 C116 C115 -0.3(6) . . . . ?
P1 C111 C116 C115 -179.2(3) . . . . ?
C114 C115 C116 C111 1.8(7) . . . . ?
C131 P1 C121 C126 -20.5(4) . . . . ?
C111 P1 C121 C126 -124.8(4) . . . . ?
Ru P1 C121 C126 109.8(4) . . . . ?
C131 P1 C121 C122 166.1(3) . . . . ?
C111 P1 C121 C122 61.8(3) . . . . ?
Ru P1 C121 C122 -63.6(3) . . . . ?
C126 C121 C122 C123 -2.4(7) . . . . ?
P1 C121 C122 C123 171.3(4) . . . . ?
C121 C122 C123 C124 0.5(8) . . . . ?
C122 C123 C124 C125 1.5(9) . . . . ?
C123 C124 C125 C126 -1.6(10) . . . . ?
C122 C121 C126 C125 2.3(7) . . . . ?
P1 C121 C126 C125 -171.1(5) . . . . ?
C124 C125 C126 C121 -0.4(10) . . . . ?
C121 P1 C131 C132 71.7(3) . . . . ?
C111 P1 C131 C132 174.9(3) . . . . ?
Ru P1 C131 C132 -57.8(3) . . . . ?
P1 C131 C132 C232 115.3(3) . . . . ?
C221 P2 C211 C216 -138.5(3) . . . . ?
C231 P2 C211 C216 -32.7(4) . . . . ?
Ru P2 C211 C216 89.9(3) . . . . ?
C221 P2 C211 C212 45.8(3) . . . . ?
C231 P2 C211 C212 151.7(3) . . . . ?
Ru P2 C211 C212 -85.7(3) . . . . ?
C216 C211 C212 C213 -1.2(6) . . . . ?
P2 C211 C212 C213 174.5(3) . . . . ?
C211 C212 C213 C214 1.4(6) . . . . ?
C212 C213 C214 C215 -0.7(7) . . . . ?
C213 C214 C215 C216 -0.2(8) . . . . ?
C212 C211 C216 C215 0.4(6) . . . . ?
P2 C211 C216 C215 -175.3(3) . . . . ?
C214 C215 C216 C211 0.4(7) . . . . ?
C211 P2 C221 C226 -135.3(3) . . . . ?
C231 P2 C221 C226 118.2(3) . . . . ?
Ru P2 C221 C226 -14.9(4) . . . . ?
C211 P2 C221 C222 46.7(3) . . . . ?
C231 P2 C221 C222 -59.8(4) . . . . ?
Ru P2 C221 C222 167.1(3) . . . . ?
C226 C221 C222 C223 0.5(6) . . . . ?
P2 C221 C222 C223 178.6(4) . . . . ?
C221 C222 C223 C224 0.2(8) . . . . ?
C222 C223 C224 C225 -0.5(8) . . . . ?
C223 C224 C225 C226 0.1(7) . . . . ?
C222 C221 C226 C225 -0.8(6) . . . . ?
P2 C221 C226 C225 -178.9(3) . . . . ?
C224 C225 C226 C221 0.6(7) . . . . ?
C211 P2 C231 C232 -153.3(3) . . . . ?
C221 P2 C231 C232 -48.4(3) . . . . ?
Ru P2 C231 C232 89.6(3) . . . . ?
P2 C231 C232 C132 -47.1(4) . . . . ?
C131 C132 C232 C231 -57.9(4) . . . . ?

_refine_diff_density_max         0.806
_refine_diff_density_min         -1.177
_refine_diff_density_rms         0.092

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1453145'
_audit_update_record             
;
2017-04-04 deposited with the CCDC.
2017-04-20 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         'C41 H36 Cl N2 O P2 Ru, F6 P'
_chemical_formula_sum            'C41 H36 Cl F6 N2 O P3 Ru'
_chemical_formula_weight         916.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   12.4950(4)
_cell_length_b                   16.3401(6)
_cell_length_c                   19.2663(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.085(2)
_cell_angle_gamma                90
_cell_volume                     3860.2(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    71900
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      26.373
_cell_measurement_wavelength     0.71073

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1856
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 0 0.044
0 -1 0 0.053
0 0 -1 0.239
0 -1 3 0.227
-1 0 0 0.026
1 0 0 0.022
_exptl_absorpt_coefficient_mu    0.666
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
   P. Coppens, L. Leiserowitz, D Rabinovich, Acta Cryst.
   (1965), 18, 1035-1038
;
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_T_max  0.968
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_detector_area_resol_mean 9
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_ub_11      -0.0574522
_diffrn_orient_matrix_ub_12      0.0042865
_diffrn_orient_matrix_ub_13      0.0294995
_diffrn_orient_matrix_ub_21      0.0408923
_diffrn_orient_matrix_ub_22      -0.0400926
_diffrn_orient_matrix_ub_23      0.034421
_diffrn_orient_matrix_ub_31      0.0409669
_diffrn_orient_matrix_ub_32      0.046031
_diffrn_orient_matrix_ub_33      0.0272334
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_number            28914
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.963
_diffrn_reflns_theta_max         26.374
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_reflns_Friedel_coverage         0
_reflns_number_total             7863
_reflns_number_gt                7776
_reflns_threshold_expression     'I > 2σ(I)'
_diffrn_reflns_reduction_process 
;
 Scaled and merged with SORTAV
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0600P)²+2.9209P] 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         7863
_refine_ls_number_parameters     496
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0579
_refine_ls_wR_factor_ref         0.1338
_refine_ls_wR_factor_gt          0.1331
_refine_ls_goodness_of_fit_ref   1.201
_refine_ls_restrained_S_all      1.201
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.75542(2) 0.21104(2) 0.04222(2) 0.03683(11) Uani 1 1 d . . . . .
N1 N 0.6631(2) 0.22582(17) -0.06391(14) 0.0386(6) Uani 1 1 d . . . . .
N2 N 0.6060(2) 0.15325(18) 0.04890(15) 0.0427(6) Uani 1 1 d . . . . .
P2 P 0.68234(7) 0.33814(5) 0.06901(5) 0.0387(2) Uani 1 1 d . . . . .
P1 P 0.93128(7) 0.25487(6) 0.02629(5) 0.0409(2) Uani 1 1 d . . . . .
Cl Cl 0.80104(7) 0.07667(5) 0.00078(5) 0.0514(2) Uani 1 1 d . . . . .
C1 C 0.8141(3) 0.1856(2) 0.1351(2) 0.0488(9) Uani 1 1 d . . . . .
O1 O 0.8443(3) 0.1636(2) 0.19240(15) 0.0711(9) Uani 1 1 d . . . . .
C2 C 0.6879(3) 0.2663(2) -0.11793(19) 0.0474(8) Uani 1 1 d . . . . .
H2 H 0.754435 0.293548 -0.111753 0.057 Uiso 1 1 calc R U . . .
C3 C 0.6183(4) 0.2700(3) -0.1843(2) 0.0573(10) Uani 1 1 d . . . . .
H3 H 0.637524 0.300550 -0.220703 0.069 Uiso 1 1 calc R U . . .
C4 C 0.5222(4) 0.2281(3) -0.1946(2) 0.0595(11) Uani 1 1 d . . . . .
H4 H 0.476388 0.228768 -0.238791 0.071 Uiso 1 1 calc R U . . .
C5 C 0.4923(3) 0.1843(2) -0.1390(2) 0.0498(9) Uani 1 1 d . . . . .
C6 C 0.5646(3) 0.1859(2) -0.07397(18) 0.0414(7) Uani 1 1 d . . . . .
C7 C 0.5352(3) 0.1468(2) -0.01418(19) 0.0432(8) Uani 1 1 d . . . . .
C8 C 0.4345(3) 0.1066(2) -0.0202(2) 0.0552(10) Uani 1 1 d . . . . .
C9 C 0.3648(3) 0.1031(3) -0.0879(3) 0.0637(11) Uani 1 1 d . . . . .
H9 H 0.299410 0.074354 -0.093291 0.076 Uiso 1 1 calc R U . . .
C10 C 0.3916(3) 0.1403(3) -0.1441(2) 0.0634(12) Uani 1 1 d . . . . .
H10 H 0.343819 0.137704 -0.187452 0.076 Uiso 1 1 calc R U . . .
C11 C 0.4089(4) 0.0728(3) 0.0408(3) 0.0705(13) Uani 1 1 d . . . . .
H11 H 0.342424 0.046503 0.038908 0.085 Uiso 1 1 calc R U . . .
C12 C 0.4809(4) 0.0781(3) 0.1028(3) 0.0736(13) Uani 1 1 d . . . . .
H12 H 0.464317 0.055086 0.143646 0.088 Uiso 1 1 calc R U . . .
C13 C 0.5797(3) 0.1184(3) 0.1053(2) 0.0561(10) Uani 1 1 d . . . . .
H13 H 0.629027 0.120787 0.148017 0.067 Uiso 1 1 calc R U . . .
C211 C 0.5362(3) 0.3393(2) 0.02976(19) 0.0439(8) Uani 1 1 d . . . . .
C212 C 0.4604(3) 0.3033(3) 0.0647(2) 0.0557(10) Uani 1 1 d . . . . .
H212 H 0.482851 0.282903 0.110228 0.067 Uiso 1 1 calc R U . . .
C213 C 0.3519(4) 0.2977(3) 0.0319(3) 0.0700(13) Uani 1 1 d . . . . .
H213 H 0.301730 0.273924 0.055752 0.084 Uiso 1 1 calc R U . . .
C214 C 0.3178(4) 0.3268(3) -0.0354(3) 0.0743(14) Uani 1 1 d . . . . .
H214 H 0.245236 0.321122 -0.057625 0.089 Uiso 1 1 calc R U . . .
C215 C 0.3899(4) 0.3641(3) -0.0696(2) 0.0661(12) Uani 1 1 d . . . . .
H215 H 0.365923 0.385105 -0.114803 0.079 Uiso 1 1 calc R U . . .
C216 C 0.4993(3) 0.3710(2) -0.0376(2) 0.0509(9) Uani 1 1 d . . . . .
H216 H 0.547914 0.396986 -0.061352 0.061 Uiso 1 1 calc R U . . .
C221 C 0.6833(3) 0.3724(2) 0.15989(19) 0.0446(8) Uani 1 1 d . . . . .
C226 C 0.6041(3) 0.4273(3) 0.1722(2) 0.0537(9) Uani 1 1 d . . . . .
H226 H 0.548153 0.442117 0.135195 0.064 Uiso 1 1 calc R U . . .
C225 C 0.6070(4) 0.4600(3) 0.2385(2) 0.0596(10) Uani 1 1 d . . . . .
H225 H 0.552788 0.496144 0.245922 0.071 Uiso 1 1 calc R U . . .
C224 C 0.6906(3) 0.4394(3) 0.2941(2) 0.0579(10) Uani 1 1 d . . . . .
H224 H 0.692427 0.461377 0.338883 0.069 Uiso 1 1 calc R U . . .
C223 C 0.7702(3) 0.3865(3) 0.2828(2) 0.0538(9) Uani 1 1 d . . . . .
H223 H 0.826637 0.372943 0.319977 0.065 Uiso 1 1 calc R U . . .
C222 C 0.7675(3) 0.3528(2) 0.21603(19) 0.0480(8) Uani 1 1 d . . . . .
H222 H 0.822279 0.317031 0.208913 0.058 Uiso 1 1 calc R U . . .
C231 C 0.7311(3) 0.4304(2) 0.0312(2) 0.0463(8) Uani 1 1 d . . . . .
H23A H 0.743228 0.417254 -0.015819 0.056 Uiso 1 1 calc R U . . .
H23B H 0.673808 0.471252 0.025868 0.056 Uiso 1 1 calc R U . . .
C232 C 0.8355(3) 0.4685(2) 0.0731(2) 0.0512(9) Uani 1 1 d . . . . .
H23C H 0.819936 0.490487 0.116856 0.061 Uiso 1 1 calc R U . . .
H23D H 0.856267 0.513908 0.046117 0.061 Uiso 1 1 calc R U . . .
C111 C 1.0392(3) 0.2149(2) 0.0970(2) 0.0467(8) Uani 1 1 d . . . . .
C112 C 1.0385(4) 0.1331(3) 0.1165(2) 0.0635(11) Uani 1 1 d . . . . .
H112 H 0.982730 0.099009 0.094158 0.076 Uiso 1 1 calc R U . . .
C113 C 1.1198(4) 0.1018(3) 0.1686(3) 0.0780(15) Uani 1 1 d . . . . .
H113 H 1.118617 0.046698 0.180693 0.094 Uiso 1 1 calc R U . . .
C114 C 1.2021(4) 0.1509(3) 0.2027(3) 0.0786(15) Uani 1 1 d . . . . .
H114 H 1.256687 0.129621 0.237730 0.094 Uiso 1 1 calc R U . . .
C115 C 1.2026(4) 0.2318(3) 0.1844(3) 0.0691(12) Uani 1 1 d . . . . .
H115 H 1.257848 0.265656 0.207725 0.083 Uiso 1 1 calc R U . . .
C116 C 1.1230(3) 0.2642(3) 0.1320(2) 0.0532(9) Uani 1 1 d . . . . .
H116 H 1.125494 0.319235 0.120097 0.064 Uiso 1 1 calc R U . . .
C121 C 0.9799(3) 0.2212(2) -0.0539(2) 0.0482(9) Uani 1 1 d . . . . .
C122 C 1.0217(3) 0.1423(3) -0.0584(2) 0.0582(10) Uani 1 1 d . . . . .
H122 H 1.022547 0.105771 -0.021228 0.070 Uiso 1 1 calc R U . . .
C123 C 1.0617(4) 0.1178(3) -0.1172(3) 0.0683(12) Uani 1 1 d . . . . .
H123 H 1.088274 0.064885 -0.119545 0.082 Uiso 1 1 calc R U . . .
C124 C 1.0622(4) 0.1712(4) -0.1722(3) 0.0763(14) Uani 1 1 d . . . . .
H124 H 1.090015 0.154778 -0.211415 0.092 Uiso 1 1 calc R U . . .
C125 C 1.0215(4) 0.2492(4) -0.1690(2) 0.0699(12) Uani 1 1 d . . . . .
H125 H 1.021539 0.285250 -0.206328 0.084 Uiso 1 1 calc R U . . .
C126 C 0.9803(3) 0.2744(3) -0.1103(2) 0.0574(10) Uani 1 1 d . . . . .
H126 H 0.952929 0.327123 -0.108700 0.069 Uiso 1 1 calc R U . . .
C131 C 0.9587(3) 0.3648(2) 0.0264(2) 0.0473(8) Uani 1 1 d . . . . .
H13A H 1.035056 0.373047 0.024751 0.057 Uiso 1 1 calc R U . . .
H13B H 0.915826 0.388713 -0.016078 0.057 Uiso 1 1 calc R U . . .
C132 C 0.9327(3) 0.4099(2) 0.0911(2) 0.0496(9) Uani 1 1 d . . . . .
H13C H 0.917418 0.369896 0.125099 0.059 Uiso 1 1 calc R U . . .
H13D H 0.996464 0.440781 0.113336 0.059 Uiso 1 1 calc R U . . .
F1 F 0.3390(3) 0.41094(17) 0.18861(16) 0.0814(8) Uani 1 1 d . . . . .
F2 F 0.3327(3) 0.52550(18) 0.25136(14) 0.0821(8) Uani 1 1 d . . . . .
F3 F 0.1810(2) 0.4516(2) 0.21557(16) 0.0861(9) Uani 1 1 d . . . . .
F4 F 0.2048(3) 0.4601(2) 0.10342(14) 0.0904(10) Uani 1 1 d . . . . .
F5 F 0.3578(2) 0.53318(19) 0.13986(15) 0.0800(8) Uani 1 1 d . . . . .
F6 F 0.1998(3) 0.5750(2) 0.1660(2) 0.0983(10) Uani 1 1 d . . . . .
P3 P 0.26830(9) 0.49304(7) 0.17790(5) 0.0531(3) 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
Ru C1 1.845(4) . ?
Ru N2 2.119(3) . ?
Ru N1 2.159(3) . ?
Ru P2 2.3652(9) . ?
Ru P1 2.3863(9) . ?
Ru Cl 2.4410(9) . ?
N1 C2 1.319(4) . ?
N1 C6 1.374(4) . ?
N2 C13 1.322(5) . ?
N2 C7 1.363(4) . ?
P2 C231 1.829(4) . ?
P2 C221 1.836(4) . ?
P2 C211 1.837(4) . ?
P1 C131 1.828(4) . ?
P1 C111 1.843(4) . ?
P1 C121 1.850(4) . ?
C1 O1 1.154(5) . ?
C2 C3 1.402(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.363(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.399(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.396(5) . ?
C5 C10 1.435(6) . ?
C6 C7 1.426(5) . ?
C7 C8 1.405(5) . ?
C8 C11 1.389(6) . ?
C8 C9 1.425(6) . ?
C9 C10 1.339(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.354(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.392(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C211 C216 1.391(5) . ?
C211 C212 1.393(5) . ?
C212 C213 1.385(6) . ?
C212 H212 0.9300 . ?
C213 C214 1.370(7) . ?
C213 H213 0.9300 . ?
C214 C215 1.358(7) . ?
C214 H214 0.9300 . ?
C215 C216 1.392(6) . ?
C215 H215 0.9300 . ?
C216 H216 0.9300 . ?
C221 C226 1.390(5) . ?
C221 C222 1.393(5) . ?
C226 C225 1.378(5) . ?
C226 H226 0.9300 . ?
C225 C224 1.387(6) . ?
C225 H225 0.9300 . ?
C224 C223 1.366(6) . ?
C224 H224 0.9300 . ?
C223 C222 1.394(5) . ?
C223 H223 0.9300 . ?
C222 H222 0.9300 . ?
C231 C232 1.528(5) . ?
C231 H23A 0.9700 . ?
C231 H23B 0.9700 . ?
C232 C132 1.532(5) . ?
C232 H23C 0.9700 . ?
C232 H23D 0.9700 . ?
C111 C116 1.389(5) . ?
C111 C112 1.389(5) . ?
C112 C113 1.383(6) . ?
C112 H112 0.9300 . ?
C113 C114 1.368(7) . ?
C113 H113 0.9300 . ?
C114 C115 1.370(7) . ?
C114 H114 0.9300 . ?
C115 C116 1.379(6) . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C121 C126 1.391(6) . ?
C121 C122 1.401(6) . ?
C122 C123 1.382(6) . ?
C122 H122 0.9300 . ?
C123 C124 1.374(7) . ?
C123 H123 0.9300 . ?
C124 C125 1.378(8) . ?
C124 H124 0.9300 . ?
C125 C126 1.392(6) . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
C131 C132 1.537(5) . ?
C131 H13A 0.9700 . ?
C131 H13B 0.9700 . ?
C132 H13C 0.9700 . ?
C132 H13D 0.9700 . ?
F1 P3 1.597(3) . ?
F2 P3 1.579(3) . ?
F3 P3 1.575(3) . ?
F4 P3 1.594(3) . ?
F5 P3 1.592(3) . ?
F6 P3 1.582(3) . ?

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 Ru N2 91.79(14) . . ?
C1 Ru N1 169.54(14) . . ?
N2 Ru N1 77.93(11) . . ?
C1 Ru P2 94.87(12) . . ?
N2 Ru P2 89.79(9) . . ?
N1 Ru P2 87.14(8) . . ?
C1 Ru P1 89.32(12) . . ?
N2 Ru P1 170.33(9) . . ?
N1 Ru P1 100.48(8) . . ?
P2 Ru P1 99.68(3) . . ?
C1 Ru Cl 92.28(12) . . ?
N2 Ru Cl 83.27(9) . . ?
N1 Ru Cl 84.64(8) . . ?
P2 Ru Cl 170.19(3) . . ?
P1 Ru Cl 87.09(3) . . ?
C2 N1 C6 117.8(3) . . ?
C2 N1 Ru 129.8(2) . . ?
C6 N1 Ru 112.4(2) . . ?
C13 N2 C7 118.6(3) . . ?
C13 N2 Ru 127.1(3) . . ?
C7 N2 Ru 114.1(2) . . ?
C231 P2 C221 100.80(17) . . ?
C231 P2 C211 102.02(17) . . ?
C221 P2 C211 102.32(16) . . ?
C231 P2 Ru 117.67(13) . . ?
C221 P2 Ru 122.92(13) . . ?
C211 P2 Ru 108.32(12) . . ?
C131 P1 C111 103.70(17) . . ?
C131 P1 C121 101.61(18) . . ?
C111 P1 C121 101.59(17) . . ?
C131 P1 Ru 118.15(12) . . ?
C111 P1 Ru 111.09(13) . . ?
C121 P1 Ru 118.48(12) . . ?
O1 C1 Ru 173.7(3) . . ?
N1 C2 C3 122.8(4) . . ?
N1 C2 H2 118.6 . . ?
C3 C2 H2 118.6 . . ?
C4 C3 C2 119.1(4) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 117.1(4) . . ?
C6 C5 C10 118.6(4) . . ?
C4 C5 C10 124.3(4) . . ?
N1 C6 C5 122.9(3) . . ?
N1 C6 C7 117.5(3) . . ?
C5 C6 C7 119.6(3) . . ?
N2 C7 C8 121.8(3) . . ?
N2 C7 C6 117.5(3) . . ?
C8 C7 C6 120.6(3) . . ?
C11 C8 C7 117.7(4) . . ?
C11 C8 C9 124.0(4) . . ?
C7 C8 C9 118.3(4) . . ?
C10 C9 C8 121.2(4) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C5 121.7(4) . . ?
C9 C10 H10 119.2 . . ?
C5 C10 H10 119.2 . . ?
C12 C11 C8 120.0(4) . . ?
C12 C11 H11 120.0 . . ?
C8 C11 H11 120.0 . . ?
C11 C12 C13 119.6(4) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
N2 C13 C12 122.3(4) . . ?
N2 C13 H13 118.8 . . ?
C12 C13 H13 118.8 . . ?
C216 C211 C212 118.3(4) . . ?
C216 C211 P2 120.8(3) . . ?
C212 C211 P2 120.7(3) . . ?
C213 C212 C211 120.3(4) . . ?
C213 C212 H212 119.8 . . ?
C211 C212 H212 119.8 . . ?
C214 C213 C212 120.5(5) . . ?
C214 C213 H213 119.7 . . ?
C212 C213 H213 119.7 . . ?
C215 C214 C213 120.1(4) . . ?
C215 C214 H214 120.0 . . ?
C213 C214 H214 120.0 . . ?
C214 C215 C216 120.5(4) . . ?
C214 C215 H215 119.7 . . ?
C216 C215 H215 119.7 . . ?
C211 C216 C215 120.3(4) . . ?
C211 C216 H216 119.9 . . ?
C215 C216 H216 119.9 . . ?
C226 C221 C222 118.1(3) . . ?
C226 C221 P2 119.0(3) . . ?
C222 C221 P2 122.4(3) . . ?
C225 C226 C221 121.1(4) . . ?
C225 C226 H226 119.5 . . ?
C221 C226 H226 119.5 . . ?
C226 C225 C224 120.2(4) . . ?
C226 C225 H225 119.9 . . ?
C224 C225 H225 119.9 . . ?
C223 C224 C225 119.6(4) . . ?
C223 C224 H224 120.2 . . ?
C225 C224 H224 120.2 . . ?
C224 C223 C222 120.5(4) . . ?
C224 C223 H223 119.7 . . ?
C222 C223 H223 119.7 . . ?
C221 C222 C223 120.4(4) . . ?
C221 C222 H222 119.8 . . ?
C223 C222 H222 119.8 . . ?
C232 C231 P2 116.1(3) . . ?
C232 C231 H23A 108.3 . . ?
P2 C231 H23A 108.3 . . ?
C232 C231 H23B 108.3 . . ?
P2 C231 H23B 108.3 . . ?
H23A C231 H23B 107.4 . . ?
C231 C232 C132 115.1(3) . . ?
C231 C232 H23C 108.5 . . ?
C132 C232 H23C 108.5 . . ?
C231 C232 H23D 108.5 . . ?
C132 C232 H23D 108.5 . . ?
H23C C232 H23D 107.5 . . ?
C116 C111 C112 118.1(4) . . ?
C116 C111 P1 122.0(3) . . ?
C112 C111 P1 119.9(3) . . ?
C113 C112 C111 120.7(4) . . ?
C113 C112 H112 119.7 . . ?
C111 C112 H112 119.7 . . ?
C114 C113 C112 120.7(5) . . ?
C114 C113 H113 119.6 . . ?
C112 C113 H113 119.6 . . ?
C113 C114 C115 118.9(4) . . ?
C113 C114 H114 120.5 . . ?
C115 C114 H114 120.5 . . ?
C114 C115 C116 121.4(4) . . ?
C114 C115 H115 119.3 . . ?
C116 C115 H115 119.3 . . ?
C115 C116 C111 120.2(4) . . ?
C115 C116 H116 119.9 . . ?
C111 C116 H116 119.9 . . ?
C126 C121 C122 118.0(4) . . ?
C126 C121 P1 121.2(3) . . ?
C122 C121 P1 120.7(3) . . ?
C123 C122 C121 121.0(4) . . ?
C123 C122 H122 119.5 . . ?
C121 C122 H122 119.5 . . ?
C124 C123 C122 120.3(5) . . ?
C124 C123 H123 119.9 . . ?
C122 C123 H123 119.9 . . ?
C123 C124 C125 119.8(4) . . ?
C123 C124 H124 120.1 . . ?
C125 C124 H124 120.1 . . ?
C124 C125 C126 120.5(5) . . ?
C124 C125 H125 119.8 . . ?
C126 C125 H125 119.8 . . ?
C121 C126 C125 120.5(4) . . ?
C121 C126 H126 119.8 . . ?
C125 C126 H126 119.8 . . ?
C132 C131 P1 113.8(3) . . ?
C132 C131 H13A 108.8 . . ?
P1 C131 H13A 108.8 . . ?
C132 C131 H13B 108.8 . . ?
P1 C131 H13B 108.8 . . ?
H13A C131 H13B 107.7 . . ?
C232 C132 C131 113.4(3) . . ?
C232 C132 H13C 108.9 . . ?
C131 C132 H13C 108.9 . . ?
C232 C132 H13D 108.9 . . ?
C131 C132 H13D 108.9 . . ?
H13C C132 H13D 107.7 . . ?
F3 P3 F2 90.59(17) . . ?
F3 P3 F6 91.53(19) . . ?
F2 P3 F6 90.78(19) . . ?
F3 P3 F5 178.84(19) . . ?
F2 P3 F5 89.55(16) . . ?
F6 P3 F5 89.62(18) . . ?
F3 P3 F4 90.05(17) . . ?
F2 P3 F4 179.2(2) . . ?
F6 P3 F4 89.6(2) . . ?
F5 P3 F4 89.81(16) . . ?
F3 P3 F1 89.67(17) . . ?
F2 P3 F1 89.58(17) . . ?
F6 P3 F1 178.74(19) . . ?
F5 P3 F1 89.17(17) . . ?
F4 P3 F1 89.99(18) . . ?

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
C6 N1 C2 C3 0.0(5) . . . . ?
Ru N1 C2 C3 180.0(3) . . . . ?
N1 C2 C3 C4 -2.1(6) . . . . ?
C2 C3 C4 C5 1.9(6) . . . . ?
C3 C4 C5 C6 0.1(6) . . . . ?
C3 C4 C5 C10 178.1(4) . . . . ?
C2 N1 C6 C5 2.3(5) . . . . ?
Ru N1 C6 C5 -177.7(3) . . . . ?
C2 N1 C6 C7 -176.1(3) . . . . ?
Ru N1 C6 C7 4.0(4) . . . . ?
C4 C5 C6 N1 -2.3(5) . . . . ?
C10 C5 C6 N1 179.6(3) . . . . ?
C4 C5 C6 C7 176.0(3) . . . . ?
C10 C5 C6 C7 -2.2(5) . . . . ?
C13 N2 C7 C8 2.1(6) . . . . ?
Ru N2 C7 C8 176.8(3) . . . . ?
C13 N2 C7 C6 179.1(3) . . . . ?
Ru N2 C7 C6 -6.2(4) . . . . ?
N1 C6 C7 N2 1.4(5) . . . . ?
C5 C6 C7 N2 -177.0(3) . . . . ?
N1 C6 C7 C8 178.4(3) . . . . ?
C5 C6 C7 C8 0.0(5) . . . . ?
N2 C7 C8 C11 -0.4(6) . . . . ?
C6 C7 C8 C11 -177.2(4) . . . . ?
N2 C7 C8 C9 179.5(4) . . . . ?
C6 C7 C8 C9 2.6(6) . . . . ?
C11 C8 C9 C10 176.6(5) . . . . ?
C7 C8 C9 C10 -3.2(7) . . . . ?
C8 C9 C10 C5 1.1(7) . . . . ?
C6 C5 C10 C9 1.7(6) . . . . ?
C4 C5 C10 C9 -176.3(4) . . . . ?
C7 C8 C11 C12 -1.0(7) . . . . ?
C9 C8 C11 C12 179.1(5) . . . . ?
C8 C11 C12 C13 0.7(8) . . . . ?
C7 N2 C13 C12 -2.5(6) . . . . ?
Ru N2 C13 C12 -176.5(4) . . . . ?
C11 C12 C13 N2 1.2(8) . . . . ?
C231 P2 C211 C216 32.3(3) . . . . ?
C221 P2 C211 C216 136.4(3) . . . . ?
Ru P2 C211 C216 -92.5(3) . . . . ?
C231 P2 C211 C212 -152.2(3) . . . . ?
C221 P2 C211 C212 -48.2(3) . . . . ?
Ru P2 C211 C212 83.0(3) . . . . ?
C216 C211 C212 C213 1.6(6) . . . . ?
P2 C211 C212 C213 -173.9(3) . . . . ?
C211 C212 C213 C214 0.5(7) . . . . ?
C212 C213 C214 C215 -2.2(7) . . . . ?
C213 C214 C215 C216 1.7(7) . . . . ?
C212 C211 C216 C215 -2.1(6) . . . . ?
P2 C211 C216 C215 173.5(3) . . . . ?
C214 C215 C216 C211 0.4(7) . . . . ?
C231 P2 C221 C226 73.0(3) . . . . ?
C211 P2 C221 C226 -32.0(4) . . . . ?
Ru P2 C221 C226 -153.7(3) . . . . ?
C231 P2 C221 C222 -99.6(3) . . . . ?
C211 P2 C221 C222 155.4(3) . . . . ?
Ru P2 C221 C222 33.8(4) . . . . ?
C222 C221 C226 C225 -1.5(6) . . . . ?
P2 C221 C226 C225 -174.4(3) . . . . ?
C221 C226 C225 C224 0.8(7) . . . . ?
C226 C225 C224 C223 0.2(7) . . . . ?
C225 C224 C223 C222 -0.5(6) . . . . ?
C226 C221 C222 C223 1.2(6) . . . . ?
P2 C221 C222 C223 173.8(3) . . . . ?
C224 C223 C222 C221 -0.2(6) . . . . ?
C221 P2 C231 C232 50.6(3) . . . . ?
C211 P2 C231 C232 155.8(3) . . . . ?
Ru P2 C231 C232 -85.8(3) . . . . ?
P2 C231 C232 C132 53.7(4) . . . . ?
C131 P1 C111 C116 -5.9(4) . . . . ?
C121 P1 C111 C116 99.2(4) . . . . ?
Ru P1 C111 C116 -133.8(3) . . . . ?
C131 P1 C111 C112 174.4(4) . . . . ?
C121 P1 C111 C112 -80.5(4) . . . . ?
Ru P1 C111 C112 46.5(4) . . . . ?
C116 C111 C112 C113 -0.8(7) . . . . ?
P1 C111 C112 C113 179.0(4) . . . . ?
C111 C112 C113 C114 0.7(9) . . . . ?
C112 C113 C114 C115 0.1(9) . . . . ?
C113 C114 C115 C116 -0.7(9) . . . . ?
C114 C115 C116 C111 0.7(8) . . . . ?
C112 C111 C116 C115 0.1(7) . . . . ?
P1 C111 C116 C115 -179.6(4) . . . . ?
C131 P1 C121 C126 -27.2(4) . . . . ?
C111 P1 C121 C126 -134.0(3) . . . . ?
Ru P1 C121 C126 104.1(3) . . . . ?
C131 P1 C121 C122 150.1(3) . . . . ?
C111 P1 C121 C122 43.3(3) . . . . ?
Ru P1 C121 C122 -78.6(3) . . . . ?
C126 C121 C122 C123 -0.3(6) . . . . ?
P1 C121 C122 C123 -177.7(3) . . . . ?
C121 C122 C123 C124 0.8(7) . . . . ?
C122 C123 C124 C125 -0.8(8) . . . . ?
C123 C124 C125 C126 0.4(8) . . . . ?
C122 C121 C126 C125 -0.1(6) . . . . ?
P1 C121 C126 C125 177.3(3) . . . . ?
C124 C125 C126 C121 0.1(7) . . . . ?
C111 P1 C131 C132 -71.2(3) . . . . ?
C121 P1 C131 C132 -176.3(3) . . . . ?
Ru P1 C131 C132 52.2(3) . . . . ?
C231 C232 C132 C131 52.9(5) . . . . ?
P1 C131 C132 C232 -111.8(3) . . . . ?

_refine_diff_density_max         0.453
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.068

