# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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 1444128'
_audit_update_record             
;
2016-05-10 deposited with the CCDC.
2016-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H30 Cl2 F6 N2 P2 Ru'
_chemical_formula_weight         838.53

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'
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   10.2096(5)
_cell_length_b                   10.3051(5)
_cell_length_c                   17.2339(8)
_cell_angle_alpha                106.673(2)
_cell_angle_beta                 96.855(2)
_cell_angle_gamma                92.707(2)
_cell_volume                     1718.21(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9958
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      26.84

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_F_000             844
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.768
_shelx_estimated_absorpt_T_min   0.700
_shelx_estimated_absorpt_T_max   0.862
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.6348
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26718
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.078
_diffrn_reflns_theta_max         26.840
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             7181
_reflns_number_gt                6416
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0804P)²+8.1844P] 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         7181
_refine_ls_number_parameters     442
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0538
_refine_ls_wR_factor_ref         0.1527
_refine_ls_wR_factor_gt          0.1480
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.165
_refine_ls_shift/su_max          0.094
_refine_ls_shift/su_mean         0.001

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
C134 C 0.4406(6) -0.0202(6) 0.3940(4) 0.0420(13) Uani 1 1 d . . . . .
H134 H 0.4345 -0.0963 0.4145 0.050 Uiso 1 1 calc R U . . .
Cl1 Cl 0.1598(4) 0.8951(5) 0.5298(2) 0.1415(14) Uani 1 1 d D . . . .
C1S C 0.1185(15) 0.942(2) 0.6262(9) 0.051(6) Uiso 0.365(19) 1 d D . P A 1
H1S1 H 0.1767 1.0248 0.6577 0.061 Uiso 0.365(19) 1 calc R U P A 1
H1S2 H 0.1416 0.8697 0.6511 0.061 Uiso 0.365(19) 1 calc R U P A 1
Cl2 Cl -0.0616(10) 0.9808(15) 0.6436(6) 0.192(4) Uiso 0.691(18) 1 d D . P A 1
C1SA C 0.1264(8) 0.8408(9) 0.6123(5) 0.035(3) Uiso 0.635(19) 1 d D . P A 2
H1S3 H 0.2000 0.8717 0.6580 0.042 Uiso 0.635(19) 1 calc R U P A 2
H1S4 H 0.1123 0.7404 0.5965 0.042 Uiso 0.635(19) 1 calc R U P A 2
Cl2A Cl -0.0313(8) 0.9220(10) 0.6423(5) 0.078(4) Uiso 0.309(18) 1 d D . P A 2
Ru1 Ru 0.49292(3) 0.29830(3) 0.15633(2) 0.01433(12) Uani 1 1 d . . . . .
P1 P 0.47099(10) 0.34817(11) 0.29283(6) 0.0181(2) Uani 1 1 d . . . . .
P2 P 0.25389(12) 0.21069(12) 0.86530(8) 0.0270(3) Uani 1 1 d . . . . .
N2 N 0.3631(3) 0.4405(3) 0.1392(2) 0.0165(7) Uani 1 1 d . . . . .
F5 F 0.2468(4) 0.1510(3) 0.94024(19) 0.0425(8) Uani 1 1 d . . . . .
N1 N 0.3090(3) 0.1845(3) 0.1292(2) 0.0164(7) Uani 1 1 d . . . . .
F3 F 0.2151(4) 0.0614(3) 0.8044(2) 0.0458(8) Uani 1 1 d . . . . .
C121 C 0.3226(4) 0.4357(5) 0.3175(3) 0.0230(9) Uani 1 1 d . . . . .
C5 C -0.0304(4) 0.2817(5) 0.0816(3) 0.0234(9) Uani 1 1 d . . . . .
H5 H -0.1198 0.2439 0.0680 0.028 Uiso 1 1 calc R U . . .
F1 F 0.4065(3) 0.1798(4) 0.8665(2) 0.0462(8) Uani 1 1 d . . . . .
C4 C 0.0720(4) 0.1979(4) 0.0971(3) 0.0201(8) Uani 1 1 d . . . . .
C12 C 0.2035(4) 0.2544(4) 0.1141(2) 0.0162(8) Uani 1 1 d . . . . .
C6 C -0.0024(4) 0.4133(5) 0.0861(3) 0.0240(9) Uani 1 1 d . . . . .
H6 H -0.0725 0.4664 0.0760 0.029 Uiso 1 1 calc R U . . .
C24 C 0.6977(4) 0.2556(5) 0.1778(3) 0.0261(9) Uani 1 1 d . . . . .
H24 H 0.7384 0.2481 0.2287 0.031 Uiso 1 1 calc R U . . .
C11 C 0.2331(4) 0.3929(4) 0.1192(2) 0.0161(8) Uani 1 1 d . . . . .
C3 C 0.0486(4) 0.0632(5) 0.0971(3) 0.0265(10) Uani 1 1 d . . . . .
H3 H -0.0392 0.0215 0.0871 0.032 Uiso 1 1 calc R U . . .
C7 C 0.1315(4) 0.4745(4) 0.1057(3) 0.0201(8) Uani 1 1 d . . . . .
F4 F 0.2661(4) 0.2687(4) 0.7895(2) 0.0581(10) Uani 1 1 d . . . . .
C1 C 0.2836(4) 0.0554(4) 0.1265(3) 0.0239(9) Uani 1 1 d . . . . .
H1 H 0.3557 0.0038 0.1350 0.029 Uiso 1 1 calc R U . . .
C111 C 0.6099(4) 0.4572(5) 0.3615(3) 0.0241(9) Uani 1 1 d . . . . .
C126 C 0.2008(5) 0.3604(5) 0.3004(3) 0.0290(10) Uani 1 1 d . . . . .
H126 H 0.1973 0.2640 0.2864 0.035 Uiso 1 1 calc R U . . .
F6 F 0.2959(5) 0.3583(4) 0.9253(3) 0.0701(13) Uani 1 1 d . . . . .
C112 C 0.6553(5) 0.5746(5) 0.3442(3) 0.0301(10) Uani 1 1 d . . . . .
H112 H 0.6121 0.5986 0.2989 0.036 Uiso 1 1 calc R U . . .
C135 C 0.5007(6) -0.0287(5) 0.3257(3) 0.0354(11) Uani 1 1 d . . . . .
H135 H 0.5370 -0.1104 0.2993 0.043 Uiso 1 1 calc R U . . .
C131 C 0.4560(4) 0.2030(5) 0.3333(3) 0.0238(9) Uani 1 1 d . . . . .
C8 C 0.1683(5) 0.6098(5) 0.1124(3) 0.0270(10) Uani 1 1 d . . . . .
H8 H 0.1030 0.6691 0.1044 0.032 Uiso 1 1 calc R U . . .
C22 C 0.5869(4) 0.2017(5) 0.0475(3) 0.0256(9) Uani 1 1 d . . . . .
H22 H 0.5396 0.1524 -0.0043 0.031 Uiso 1 1 calc R U . . .
C21 C 0.6258(4) 0.3421(5) 0.0741(3) 0.0262(10) Uani 1 1 d . . . . .
H21 H 0.6092 0.4035 0.0429 0.031 Uiso 1 1 calc R U . . .
C23 C 0.6312(4) 0.1471(5) 0.1122(3) 0.0259(10) Uani 1 1 d . . . . .
H23 H 0.6186 0.0548 0.1115 0.031 Uiso 1 1 calc R U . . .
C25 C 0.6937(4) 0.3773(5) 0.1550(3) 0.0254(9) Uani 1 1 d . . . . .
H25 H 0.7295 0.4655 0.1877 0.031 Uiso 1 1 calc R U . . .
C136 C 0.5082(5) 0.0831(5) 0.2950(3) 0.0265(9) Uani 1 1 d . . . . .
H136 H 0.5494 0.0767 0.2476 0.032 Uiso 1 1 calc R U . . .
C132 C 0.3975(5) 0.2111(6) 0.4035(3) 0.0346(11) Uani 1 1 d . . . . .
H132 H 0.3635 0.2935 0.4311 0.041 Uiso 1 1 calc R U . . .
C10 C 0.3944(4) 0.5700(4) 0.1444(3) 0.0229(9) Uani 1 1 d . . . . .
H10 H 0.4847 0.6046 0.1578 0.027 Uiso 1 1 calc R U . . .
C122 C 0.3247(5) 0.5775(5) 0.3381(3) 0.0359(12) Uani 1 1 d . . . . .
H122 H 0.4070 0.6313 0.3511 0.043 Uiso 1 1 calc R U . . .
C2 C 0.1546(5) -0.0077(5) 0.1116(3) 0.0292(10) Uani 1 1 d . . . . .
H2 H 0.1406 -0.0995 0.1116 0.035 Uiso 1 1 calc R U . . .
C125 C 0.0835(5) 0.4246(7) 0.3035(3) 0.0395(13) Uani 1 1 d . . . . .
H125 H 0.0008 0.3720 0.2928 0.047 Uiso 1 1 calc R U . . .
C9 C 0.2990(5) 0.6564(5) 0.1307(3) 0.0281(10) Uani 1 1 d . . . . .
H9 H 0.3251 0.7478 0.1341 0.034 Uiso 1 1 calc R U . . .
C133 C 0.3886(6) 0.0999(7) 0.4332(4) 0.0442(14) Uani 1 1 d . . . . .
H133 H 0.3469 0.1056 0.4804 0.053 Uiso 1 1 calc R U . . .
C124 C 0.0870(6) 0.5628(7) 0.3220(4) 0.0481(15) Uani 1 1 d . . . . .
H124 H 0.0069 0.6060 0.3228 0.058 Uiso 1 1 calc R U . . .
C115 C 0.7869(6) 0.5055(7) 0.4742(3) 0.0461(15) Uani 1 1 d . . . . .
H115 H 0.8323 0.4818 0.5190 0.055 Uiso 1 1 calc R U . . .
F2 F 0.1038(4) 0.2374(5) 0.8625(4) 0.0851(16) Uani 1 1 d . . . . .
C16 C 0.6776(5) 0.4226(6) 0.4273(3) 0.0332(11) Uani 1 1 d . . . . .
H16 H 0.6488 0.3429 0.4399 0.040 Uiso 1 1 calc R U . . .
C113 C 0.7635(6) 0.6558(6) 0.3931(4) 0.0440(14) Uani 1 1 d . . . . .
H113 H 0.7923 0.7372 0.3824 0.053 Uiso 1 1 calc R U . . .
C114 C 0.8302(6) 0.6190(7) 0.4576(3) 0.0500(17) Uani 1 1 d . . . . .
H114 H 0.9061 0.6737 0.4899 0.060 Uiso 1 1 calc R U . . .
C123 C 0.2075(6) 0.6399(7) 0.3395(4) 0.0497(15) Uani 1 1 d . . . . .
H123 H 0.2097 0.7361 0.3526 0.060 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C134 C135 1.375(8) . ?
C134 C133 1.392(9) . ?
C134 H134 0.9500 . ?
Cl1 C1S 1.702(13) . ?
Cl1 C1SA 1.735(8) . ?
C1S Cl2 1.939(14) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
C1SA Cl2A 1.907(11) . ?
C1SA H1S3 0.9900 . ?
C1SA H1S4 0.9900 . ?
Ru1 N2 2.081(3) . ?
Ru1 N1 2.095(3) . ?
Ru1 C24 2.168(4) . ?
Ru1 C25 2.175(4) . ?
Ru1 C23 2.188(4) . ?
Ru1 C21 2.195(4) . ?
Ru1 C22 2.209(4) . ?
Ru1 P1 2.3002(11) . ?
P1 C131 1.831(5) . ?
P1 C121 1.831(4) . ?
P1 C111 1.833(4) . ?
P2 F2 1.567(4) . ?
P2 F6 1.580(4) . ?
P2 F5 1.589(3) . ?
P2 F3 1.594(3) . ?
P2 F4 1.600(4) . ?
P2 F1 1.603(3) . ?
N2 C10 1.332(6) . ?
N2 C11 1.361(5) . ?
N1 C1 1.330(6) . ?
N1 C12 1.364(5) . ?
C121 C126 1.388(7) . ?
C121 C122 1.400(7) . ?
C5 C6 1.351(7) . ?
C5 C4 1.436(6) . ?
C5 H5 0.9500 . ?
C4 C3 1.396(6) . ?
C4 C12 1.400(6) . ?
C12 C11 1.421(6) . ?
C6 C7 1.438(6) . ?
C6 H6 0.9500 . ?
C24 C23 1.418(7) . ?
C24 C25 1.418(7) . ?
C24 H24 0.9500 . ?
C11 C7 1.404(6) . ?
C3 C2 1.372(7) . ?
C3 H3 0.9500 . ?
C7 C8 1.395(6) . ?
C1 C2 1.402(6) . ?
C1 H1 0.9500 . ?
C111 C112 1.398(7) . ?
C111 C16 1.400(7) . ?
C126 C125 1.395(7) . ?
C126 H126 0.9500 . ?
C112 C113 1.384(7) . ?
C112 H112 0.9500 . ?
C135 C136 1.402(7) . ?
C135 H135 0.9500 . ?
C131 C136 1.388(7) . ?
C131 C132 1.394(7) . ?
C8 C9 1.365(7) . ?
C8 H8 0.9500 . ?
C22 C21 1.408(7) . ?
C22 C23 1.424(7) . ?
C22 H22 0.9500 . ?
C21 C25 1.418(7) . ?
C21 H21 0.9500 . ?
C23 H23 0.9500 . ?
C25 H25 0.9500 . ?
C136 H136 0.9500 . ?
C132 C133 1.387(8) . ?
C132 H132 0.9500 . ?
C10 C9 1.394(6) . ?
C10 H10 0.9500 . ?
C122 C123 1.385(8) . ?
C122 H122 0.9500 . ?
C2 H2 0.9500 . ?
C125 C124 1.365(9) . ?
C125 H125 0.9500 . ?
C9 H9 0.9500 . ?
C133 H133 0.9500 . ?
C124 C123 1.384(10) . ?
C124 H124 0.9500 . ?
C115 C114 1.349(10) . ?
C115 C16 1.389(7) . ?
C115 H115 0.9500 . ?
C16 H16 0.9500 . ?
C113 C114 1.388(10) . ?
C113 H113 0.9500 . ?
C114 H114 0.9500 . ?
C123 H123 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
C135 C134 C133 120.0(5) . . ?
C135 C134 H134 120.0 . . ?
C133 C134 H134 120.0 . . ?
Cl1 C1S Cl2 120.3(9) . . ?
Cl1 C1S H1S1 107.2 . . ?
Cl2 C1S H1S1 107.2 . . ?
Cl1 C1S H1S2 107.2 . . ?
Cl2 C1S H1S2 107.3 . . ?
H1S1 C1S H1S2 106.9 . . ?
Cl1 C1SA Cl2A 104.4(5) . . ?
Cl1 C1SA H1S3 110.9 . . ?
Cl2A C1SA H1S3 110.9 . . ?
Cl1 C1SA H1S4 110.9 . . ?
Cl2A C1SA H1S4 110.9 . . ?
H1S3 C1SA H1S4 108.9 . . ?
N2 Ru1 N1 77.79(13) . . ?
N2 Ru1 C24 146.43(16) . . ?
N1 Ru1 C24 135.56(16) . . ?
N2 Ru1 C25 108.83(16) . . ?
N1 Ru1 C25 164.85(15) . . ?
C24 Ru1 C25 38.13(18) . . ?
N2 Ru1 C23 151.71(16) . . ?
N1 Ru1 C23 103.71(15) . . ?
C24 Ru1 C23 37.99(18) . . ?
C25 Ru1 C23 63.84(17) . . ?
N2 Ru1 C21 94.10(15) . . ?
N1 Ru1 C21 130.04(16) . . ?
C24 Ru1 C21 62.94(18) . . ?
C25 Ru1 C21 37.87(18) . . ?
C23 Ru1 C21 62.90(17) . . ?
N2 Ru1 C22 113.92(15) . . ?
N1 Ru1 C22 101.54(15) . . ?
C24 Ru1 C22 63.14(17) . . ?
C25 Ru1 C22 63.39(17) . . ?
C23 Ru1 C22 37.80(18) . . ?
C21 Ru1 C22 37.28(18) . . ?
N2 Ru1 P1 92.14(10) . . ?
N1 Ru1 P1 88.48(9) . . ?
C24 Ru1 P1 92.47(13) . . ?
C25 Ru1 P1 104.56(13) . . ?
C23 Ru1 P1 116.07(13) . . ?
C21 Ru1 P1 141.41(14) . . ?
C22 Ru1 P1 153.43(13) . . ?
C131 P1 C121 103.6(2) . . ?
C131 P1 C111 103.4(2) . . ?
C121 P1 C111 105.8(2) . . ?
C131 P1 Ru1 116.27(15) . . ?
C121 P1 Ru1 112.54(14) . . ?
C111 P1 Ru1 114.10(15) . . ?
F2 P2 F6 91.2(3) . . ?
F2 P2 F5 90.9(2) . . ?
F6 P2 F5 91.2(2) . . ?
F2 P2 F3 90.1(3) . . ?
F6 P2 F3 178.6(2) . . ?
F5 P2 F3 89.09(18) . . ?
F2 P2 F4 91.1(3) . . ?
F6 P2 F4 89.2(2) . . ?
F5 P2 F4 177.9(2) . . ?
F3 P2 F4 90.5(2) . . ?
F2 P2 F1 178.6(3) . . ?
F6 P2 F1 90.2(2) . . ?
F5 P2 F1 89.22(19) . . ?
F3 P2 F1 88.5(2) . . ?
F4 P2 F1 88.8(2) . . ?
C10 N2 C11 117.8(4) . . ?
C10 N2 Ru1 127.0(3) . . ?
C11 N2 Ru1 115.2(3) . . ?
C1 N1 C12 117.2(4) . . ?
C1 N1 Ru1 128.1(3) . . ?
C12 N1 Ru1 114.7(3) . . ?
C126 C121 C122 118.4(4) . . ?
C126 C121 P1 119.1(4) . . ?
C122 C121 P1 121.3(4) . . ?
C6 C5 C4 121.4(4) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C3 C4 C12 117.7(4) . . ?
C3 C4 C5 124.0(4) . . ?
C12 C4 C5 118.3(4) . . ?
N1 C12 C4 123.6(4) . . ?
N1 C12 C11 116.1(3) . . ?
C4 C12 C11 120.3(4) . . ?
C5 C6 C7 121.2(4) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C23 C24 C25 108.8(4) . . ?
C23 C24 Ru1 71.8(2) . . ?
C25 C24 Ru1 71.2(2) . . ?
C23 C24 H24 125.6 . . ?
C25 C24 H24 125.6 . . ?
Ru1 C24 H24 123.1 . . ?
N2 C11 C7 123.1(4) . . ?
N2 C11 C12 116.3(4) . . ?
C7 C11 C12 120.7(4) . . ?
C2 C3 C4 118.9(4) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C8 C7 C11 117.3(4) . . ?
C8 C7 C6 124.6(4) . . ?
C11 C7 C6 118.1(4) . . ?
N1 C1 C2 122.6(4) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C112 C111 C16 118.8(4) . . ?
C112 C111 P1 118.6(4) . . ?
C16 C111 P1 122.4(4) . . ?
C121 C126 C125 120.7(5) . . ?
C121 C126 H126 119.7 . . ?
C125 C126 H126 119.7 . . ?
C113 C112 C111 119.9(5) . . ?
C113 C112 H112 120.1 . . ?
C111 C112 H112 120.1 . . ?
C134 C135 C136 119.9(5) . . ?
C134 C135 H135 120.0 . . ?
C136 C135 H135 120.0 . . ?
C136 C131 C132 119.0(4) . . ?
C136 C131 P1 119.3(3) . . ?
C132 C131 P1 121.7(4) . . ?
C9 C8 C7 119.4(4) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C21 C22 C23 107.7(4) . . ?
C21 C22 Ru1 70.8(2) . . ?
C23 C22 Ru1 70.3(2) . . ?
C21 C22 H22 126.2 . . ?
C23 C22 H22 126.2 . . ?
Ru1 C22 H22 124.3 . . ?
C22 C21 C25 109.2(4) . . ?
C22 C21 Ru1 71.9(3) . . ?
C25 C21 Ru1 70.3(2) . . ?
C22 C21 H21 125.4 . . ?
C25 C21 H21 125.4 . . ?
Ru1 C21 H21 124.0 . . ?
C24 C23 C22 107.5(4) . . ?
C24 C23 Ru1 70.2(2) . . ?
C22 C23 Ru1 71.9(2) . . ?
C24 C23 H23 126.3 . . ?
C22 C23 H23 126.3 . . ?
Ru1 C23 H23 123.2 . . ?
C21 C25 C24 106.8(4) . . ?
C21 C25 Ru1 71.9(2) . . ?
C24 C25 Ru1 70.7(2) . . ?
C21 C25 H25 126.6 . . ?
C24 C25 H25 126.6 . . ?
Ru1 C25 H25 122.6 . . ?
C131 C136 C135 120.5(5) . . ?
C131 C136 H136 119.7 . . ?
C135 C136 H136 119.7 . . ?
C133 C132 C131 120.5(5) . . ?
C133 C132 H132 119.8 . . ?
C131 C132 H132 119.8 . . ?
N2 C10 C9 122.2(4) . . ?
N2 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C123 C122 C121 120.3(5) . . ?
C123 C122 H122 119.8 . . ?
C121 C122 H122 119.8 . . ?
C3 C2 C1 120.0(4) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C124 C125 C126 120.3(5) . . ?
C124 C125 H125 119.9 . . ?
C126 C125 H125 119.9 . . ?
C8 C9 C10 120.1(4) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C132 C133 C134 120.1(5) . . ?
C132 C133 H133 119.9 . . ?
C134 C133 H133 119.9 . . ?
C125 C124 C123 120.0(5) . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C114 C115 C16 121.4(6) . . ?
C114 C115 H115 119.3 . . ?
C16 C115 H115 119.3 . . ?
C115 C16 C111 119.6(5) . . ?
C115 C16 H16 120.2 . . ?
C111 C16 H16 120.2 . . ?
C112 C113 C114 120.5(6) . . ?
C112 C113 H113 119.8 . . ?
C114 C113 H113 119.8 . . ?
C115 C114 C113 119.8(5) . . ?
C115 C114 H114 120.1 . . ?
C113 C114 H114 120.1 . . ?
C124 C123 C122 120.3(6) . . ?
C124 C123 H123 119.8 . . ?
C122 C123 H123 119.8 . . ?

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
C1SA Cl1 C1S Cl2 -104.1(17) . . . . ?
C1S Cl1 C1SA Cl2A 47.1(11) . . . . ?
C131 P1 C121 C126 -47.1(4) . . . . ?
C111 P1 C121 C126 -155.5(4) . . . . ?
Ru1 P1 C121 C126 79.3(4) . . . . ?
C131 P1 C121 C122 145.5(4) . . . . ?
C111 P1 C121 C122 37.1(5) . . . . ?
Ru1 P1 C121 C122 -88.1(4) . . . . ?
C6 C5 C4 C3 177.0(4) . . . . ?
C6 C5 C4 C12 -2.3(6) . . . . ?
C1 N1 C12 C4 0.7(6) . . . . ?
Ru1 N1 C12 C4 -178.2(3) . . . . ?
C1 N1 C12 C11 178.7(4) . . . . ?
Ru1 N1 C12 C11 -0.2(4) . . . . ?
C3 C4 C12 N1 1.1(6) . . . . ?
C5 C4 C12 N1 -179.5(4) . . . . ?
C3 C4 C12 C11 -176.8(4) . . . . ?
C5 C4 C12 C11 2.6(6) . . . . ?
C4 C5 C6 C7 0.6(7) . . . . ?
C10 N2 C11 C7 -1.4(6) . . . . ?
Ru1 N2 C11 C7 179.7(3) . . . . ?
C10 N2 C11 C12 179.9(4) . . . . ?
Ru1 N2 C11 C12 1.0(4) . . . . ?
N1 C12 C11 N2 -0.5(5) . . . . ?
C4 C12 C11 N2 177.5(4) . . . . ?
N1 C12 C11 C7 -179.2(4) . . . . ?
C4 C12 C11 C7 -1.2(6) . . . . ?
C12 C4 C3 C2 -1.5(6) . . . . ?
C5 C4 C3 C2 179.1(4) . . . . ?
N2 C11 C7 C8 0.9(6) . . . . ?
C12 C11 C7 C8 179.5(4) . . . . ?
N2 C11 C7 C6 -179.1(4) . . . . ?
C12 C11 C7 C6 -0.5(6) . . . . ?
C5 C6 C7 C8 -179.2(4) . . . . ?
C5 C6 C7 C11 0.8(7) . . . . ?
C12 N1 C1 C2 -2.1(6) . . . . ?
Ru1 N1 C1 C2 176.6(3) . . . . ?
C131 P1 C111 C112 175.3(4) . . . . ?
C121 P1 C111 C112 -76.2(4) . . . . ?
Ru1 P1 C111 C112 48.0(4) . . . . ?
C131 P1 C111 C16 -0.4(4) . . . . ?
C121 P1 C111 C16 108.1(4) . . . . ?
Ru1 P1 C111 C16 -127.7(4) . . . . ?
C122 C121 C126 C125 0.1(7) . . . . ?
P1 C121 C126 C125 -167.7(4) . . . . ?
C16 C111 C112 C113 -1.5(7) . . . . ?
P1 C111 C112 C113 -177.4(4) . . . . ?
C133 C134 C135 C136 -0.7(9) . . . . ?
C121 P1 C131 C136 149.1(4) . . . . ?
C111 P1 C131 C136 -100.7(4) . . . . ?
Ru1 P1 C131 C136 25.1(4) . . . . ?
C121 P1 C131 C132 -33.2(5) . . . . ?
C111 P1 C131 C132 77.0(4) . . . . ?
Ru1 P1 C131 C132 -157.2(4) . . . . ?
C11 C7 C8 C9 0.6(7) . . . . ?
C6 C7 C8 C9 -179.4(5) . . . . ?
C23 C22 C21 C25 -0.3(5) . . . . ?
Ru1 C22 C21 C25 60.7(3) . . . . ?
C23 C22 C21 Ru1 -60.9(3) . . . . ?
C25 C24 C23 C22 0.8(5) . . . . ?
Ru1 C24 C23 C22 62.7(3) . . . . ?
C25 C24 C23 Ru1 -61.9(3) . . . . ?
C21 C22 C23 C24 -0.3(5) . . . . ?
Ru1 C22 C23 C24 -61.6(3) . . . . ?
C21 C22 C23 Ru1 61.3(3) . . . . ?
C22 C21 C25 C24 0.7(5) . . . . ?
Ru1 C21 C25 C24 62.4(3) . . . . ?
C22 C21 C25 Ru1 -61.7(3) . . . . ?
C23 C24 C25 C21 -0.9(5) . . . . ?
Ru1 C24 C25 C21 -63.2(3) . . . . ?
C23 C24 C25 Ru1 62.3(3) . . . . ?
C132 C131 C136 C135 0.9(7) . . . . ?
P1 C131 C136 C135 178.7(4) . . . . ?
C134 C135 C136 C131 0.3(8) . . . . ?
C136 C131 C132 C133 -1.7(8) . . . . ?
P1 C131 C132 C133 -179.4(4) . . . . ?
C11 N2 C10 C9 0.5(6) . . . . ?
Ru1 N2 C10 C9 179.2(3) . . . . ?
C126 C121 C122 C123 -1.3(8) . . . . ?
P1 C121 C122 C123 166.2(5) . . . . ?
C4 C3 C2 C1 0.3(7) . . . . ?
N1 C1 C2 C3 1.6(7) . . . . ?
C121 C126 C125 C124 1.3(8) . . . . ?
C7 C8 C9 C10 -1.5(7) . . . . ?
N2 C10 C9 C8 0.9(7) . . . . ?
C131 C132 C133 C134 1.3(9) . . . . ?
C135 C134 C133 C132 -0.1(9) . . . . ?
C126 C125 C124 C123 -1.5(9) . . . . ?
C114 C115 C16 C111 -0.3(8) . . . . ?
C112 C111 C16 C115 0.5(7) . . . . ?
P1 C111 C16 C115 176.2(4) . . . . ?
C111 C112 C113 C114 2.3(8) . . . . ?
C16 C115 C114 C113 1.0(9) . . . . ?
C112 C113 C114 C115 -2.0(9) . . . . ?
C125 C124 C123 C122 0.3(10) . . . . ?
C121 C122 C123 C124 1.1(9) . . . . ?

_refine_diff_density_max         2.423
_refine_diff_density_min         -1.600
_refine_diff_density_rms         0.146

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1444129'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C47 H36 F6 N2 P2 Ru'
_chemical_formula_weight         905.79

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'
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'
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                   12.5380(7)
_cell_length_b                   14.8077(8)
_cell_length_c                   20.7137(11)
_cell_angle_alpha                90
_cell_angle_beta                 93.309(3)
_cell_angle_gamma                90
_cell_volume                     3839.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6447
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      25.89

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_F_000             1840
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.560
_shelx_estimated_absorpt_T_min   0.828
_shelx_estimated_absorpt_T_max   0.921
_exptl_absorpt_correction_type   psi-scans
_exptl_absorpt_correction_T_min  0.5812
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25792
_diffrn_reflns_av_unetI/netI     0.0660
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.691
_diffrn_reflns_theta_max         26.035
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measured_fraction_theta_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_point_group_measured_fraction_full 0.959
_reflns_number_total             7212
_reflns_number_gt                4971
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0481P)²+29.6439P] 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         7212
_refine_ls_number_parameters     523
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0684
_refine_ls_wR_factor_ref         0.1795
_refine_ls_wR_factor_gt          0.1515
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.135
_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
Ru1 Ru 0.13577(4) 0.67258(3) 0.23398(3) 0.02390(17) Uani 1 1 d . . . . .
P2 P 0.23209(13) 0.75653(11) 0.31156(9) 0.0208(4) Uani 1 1 d . . . . .
N2 N 0.2781(4) 0.6519(3) 0.1878(3) 0.0218(12) Uani 1 1 d . . . . .
N1 N 0.1378(4) 0.7804(3) 0.1696(3) 0.0223(12) Uani 1 1 d . . . . .
C135 C 0.2657(6) 1.0149(4) 0.2447(4) 0.0279(16) Uani 1 1 d . . . . .
H135 H 0.2258 1.0679 0.2437 0.033 Uiso 1 1 calc R U . . .
C132 C 0.3858(5) 0.8580(4) 0.2493(3) 0.0235(15) Uani 1 1 d . . . . .
H132 H 0.4268 0.8056 0.2504 0.028 Uiso 1 1 calc R U . . .
C111 C 0.3463(5) 0.6987(4) 0.3525(3) 0.0212(14) Uani 1 1 d . . . . .
C121 C 0.1567(5) 0.7984(4) 0.3794(4) 0.0249(16) Uani 1 1 d . . . . .
C134 C 0.3609(5) 1.0119(4) 0.2152(4) 0.0285(16) Uani 1 1 d . . . . .
H134 H 0.3849 1.0624 0.1936 0.034 Uiso 1 1 calc R U . . .
C131 C 0.2883(5) 0.8599(4) 0.2796(3) 0.0215(14) Uani 1 1 d . . . . .
C12 C 0.2255(5) 0.7865(4) 0.1338(3) 0.0229(15) Uani 1 1 d . . . . .
C25 C -0.0249(5) 0.6565(5) 0.2676(4) 0.0305(17) Uani 1 1 d . . . . .
H25 H -0.0649 0.7046 0.2820 0.037 Uiso 1 1 calc R U . . .
C1 C 0.0635(5) 0.8448(4) 0.1604(3) 0.0252(15) Uani 1 1 d . . . . .
H1 H 0.0014 0.8403 0.1827 0.030 Uiso 1 1 calc R U . . .
C7 C 0.3916(5) 0.7115(4) 0.1063(3) 0.0224(14) Uani 1 1 d . . . . .
C4 C 0.2433(5) 0.8574(4) 0.0906(3) 0.0226(15) Uani 1 1 d . . . . .
C24 C 0.0484(6) 0.6023(5) 0.3055(4) 0.0302(17) Uani 1 1 d . . . . .
H24 H 0.0645 0.6090 0.3496 0.036 Uiso 1 1 calc R U . . .
C5 C 0.3409(5) 0.8561(4) 0.0577(3) 0.0240(15) Uani 1 1 d . . . . .
H5 H 0.3568 0.9041 0.0310 0.029 Uiso 1 1 calc R U . . .
C11 C 0.3010(5) 0.7156(4) 0.1428(3) 0.0223(14) Uani 1 1 d . . . . .
C112 C 0.3391(6) 0.6055(4) 0.3613(3) 0.0267(16) Uani 1 1 d . . . . .
H112 H 0.2788 0.5744 0.3452 0.032 Uiso 1 1 calc R U . . .
C3 C 0.1644(5) 0.9270(4) 0.0835(3) 0.0239(15) Uani 1 1 d . . . . .
C126 C 0.0517(5) 0.8280(5) 0.3662(4) 0.0309(16) Uani 1 1 d . . . . .
H126 H 0.0214 0.8258 0.3242 0.037 Uiso 1 1 calc R U . . .
C122 C 0.2012(6) 0.8042(5) 0.4415(4) 0.0343(18) Uani 1 1 d . . . . .
H122 H 0.2712 0.7854 0.4507 0.041 Uiso 1 1 calc R U . . .
C116 C 0.4390(5) 0.7433(4) 0.3760(3) 0.0263(16) Uani 1 1 d . . . . .
H116 H 0.4447 0.8055 0.3712 0.032 Uiso 1 1 calc R U . . .
C35 C 0.1890(6) 1.1711(5) 0.0363(4) 0.041(2) Uani 1 1 d . . . . .
H35 H 0.1871 1.2274 0.0561 0.049 Uiso 1 1 calc R U . . .
C10 C 0.3448(5) 0.5830(4) 0.1964(3) 0.0255(16) Uani 1 1 d . . . . .
H10 H 0.3314 0.5400 0.2276 0.031 Uiso 1 1 calc R U . . .
C125 C -0.0076(6) 0.8606(5) 0.4162(4) 0.0371(19) Uani 1 1 d . . . . .
H125 H -0.0782 0.8783 0.4078 0.044 Uiso 1 1 calc R U . . .
C9 C 0.4346(5) 0.5724(4) 0.1602(4) 0.0262(16) Uani 1 1 d . . . . .
H9 H 0.4785 0.5224 0.1676 0.031 Uiso 1 1 calc R U . . .
C21 C -0.0249(6) 0.6229(5) 0.2037(4) 0.0374(19) Uani 1 1 d . . . . .
H21 H -0.0657 0.6451 0.1683 0.045 Uiso 1 1 calc R U . . .
C32 C 0.1921(6) 1.0034(5) -0.0223(4) 0.0344(18) Uani 1 1 d . . . . .
H32 H 0.1935 0.9473 -0.0425 0.041 Uiso 1 1 calc R U . . .
C6 C 0.4099(5) 0.7865(4) 0.0648(3) 0.0255(15) Uani 1 1 d . . . . .
H6 H 0.4716 0.7874 0.0419 0.031 Uiso 1 1 calc R U . . .
C114 C 0.5130(6) 0.6038(5) 0.4168(4) 0.0311(17) Uani 1 1 d . . . . .
H114 H 0.5680 0.5726 0.4390 0.037 Uiso 1 1 calc R U . . .
C133 C 0.4207(5) 0.9336(4) 0.2178(3) 0.0270(16) Uani 1 1 d . . . . .
H133 H 0.4854 0.9318 0.1980 0.032 Uiso 1 1 calc R U . . .
C81 C 0.5513(5) 0.6169(4) 0.0736(4) 0.0251(16) Uani 1 1 d . . . . .
C23 C 0.0921(6) 0.5378(4) 0.2661(4) 0.036(2) Uani 1 1 d . . . . .
H23 H 0.1422 0.4942 0.2792 0.043 Uiso 1 1 calc R U . . .
C124 C 0.0386(7) 0.8665(5) 0.4777(4) 0.041(2) Uani 1 1 d . . . . .
H124 H -0.0002 0.8899 0.5107 0.050 Uiso 1 1 calc R U . . .
C136 C 0.2289(6) 0.9394(4) 0.2760(4) 0.0276(16) Uani 1 1 d . . . . .
H136 H 0.1635 0.9418 0.2949 0.033 Uiso 1 1 calc R U . . .
C34 C 0.2049(6) 1.1650(5) -0.0292(4) 0.042(2) Uani 1 1 d . . . . .
H34 H 0.2157 1.2169 -0.0533 0.051 Uiso 1 1 calc R U . . .
C115 C 0.5221(6) 0.6954(5) 0.4063(4) 0.0305(17) Uani 1 1 d . . . . .
H115 H 0.5848 0.7252 0.4197 0.037 Uiso 1 1 calc R U . . .
C36 C 0.1759(6) 1.0933(5) 0.0725(4) 0.0329(17) Uani 1 1 d . . . . .
H36 H 0.1659 1.0980 0.1165 0.039 Uiso 1 1 calc R U . . .
C31 C 0.1775(5) 1.0081(4) 0.0434(4) 0.0262(15) Uani 1 1 d . . . . .
C84 C 0.7173(7) 0.5669(5) -0.0023(5) 0.045(2) Uani 1 1 d . . . . .
H84 H 0.7725 0.5489 -0.0275 0.054 Uiso 1 1 calc R U . . .
C113 C 0.4224(6) 0.5588(5) 0.3944(4) 0.0303(17) Uani 1 1 d . . . . .
H113 H 0.4164 0.4970 0.4013 0.036 Uiso 1 1 calc R U . . .
C2 C 0.0744(5) 0.9174(4) 0.1196(4) 0.0267(16) Uani 1 1 d . . . . .
H2 H 0.0207 0.9608 0.1161 0.032 Uiso 1 1 calc R U . . .
C8 C 0.4592(5) 0.6341(4) 0.1141(4) 0.0256(15) Uani 1 1 d . . . . .
C33 C 0.2046(7) 1.0809(5) -0.0584(4) 0.041(2) Uani 1 1 d . . . . .
H33 H 0.2128 1.0764 -0.1026 0.050 Uiso 1 1 calc R U . . .
C86 C 0.6487(6) 0.5924(6) 0.1014(4) 0.043(2) Uani 1 1 d . . . . .
H86 H 0.6590 0.5923 0.1462 0.051 Uiso 1 1 calc R U . . .
C82 C 0.5372(6) 0.6166(5) 0.0066(4) 0.0324(18) Uani 1 1 d . . . . .
H82 H 0.4714 0.6325 -0.0132 0.039 Uiso 1 1 calc R U . . .
C123 C 0.1415(7) 0.8381(6) 0.4907(4) 0.045(2) Uani 1 1 d . . . . .
H123 H 0.1717 0.8416 0.5327 0.054 Uiso 1 1 calc R U . . .
C83 C 0.6214(7) 0.5924(5) -0.0314(4) 0.042(2) Uani 1 1 d . . . . .
H83 H 0.6121 0.5936 -0.0763 0.050 Uiso 1 1 calc R U . . .
C22 C 0.0470(6) 0.5501(5) 0.2028(4) 0.039(2) Uani 1 1 d . . . . .
H22 H 0.0621 0.5161 0.1667 0.047 Uiso 1 1 calc R U . . .
C85 C 0.7327(7) 0.5677(6) 0.0637(5) 0.053(2) Uani 1 1 d . . . . .
H85 H 0.7987 0.5518 0.0833 0.063 Uiso 1 1 calc R U . . .
P3 P 0.28847(15) 0.31136(12) 0.24570(10) 0.0306(5) Uani 1 1 d . . . . .
F2 F 0.3635(4) 0.3550(3) 0.1950(2) 0.0460(12) Uani 1 1 d . . . . .
F1 F 0.3076(3) 0.3990(3) 0.2911(2) 0.0390(11) Uani 1 1 d . . . . .
F6 F 0.1871(4) 0.3586(3) 0.2115(3) 0.0611(15) Uani 1 1 d . . . . .
F5 F 0.3883(4) 0.2638(3) 0.2808(3) 0.0612(15) Uani 1 1 d . . . . .
F4 F 0.2679(4) 0.2266(3) 0.1994(3) 0.0570(15) Uani 1 1 d . . . . .
F3 F 0.2144(4) 0.2685(4) 0.2981(3) 0.0599(15) 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
Ru1 N1 2.081(6) . ?
Ru1 N2 2.096(5) . ?
Ru1 C24 2.160(6) . ?
Ru1 C25 2.182(6) . ?
Ru1 C23 2.184(6) . ?
Ru1 C21 2.202(8) . ?
Ru1 C22 2.205(7) . ?
Ru1 P2 2.3156(19) . ?
P2 C131 1.826(7) . ?
P2 C111 1.834(7) . ?
P2 C121 1.845(7) . ?
N2 C10 1.325(8) . ?
N2 C11 1.369(8) . ?
N1 C1 1.339(8) . ?
N1 C12 1.365(8) . ?
C135 C134 1.373(9) . ?
C135 C136 1.384(9) . ?
C135 H135 0.9300 . ?
C132 C133 1.380(9) . ?
C132 C131 1.406(9) . ?
C132 H132 0.9300 . ?
C111 C112 1.396(9) . ?
C111 C116 1.399(9) . ?
C121 C122 1.376(11) . ?
C121 C126 1.399(10) . ?
C134 C133 1.380(9) . ?
C134 H134 0.9300 . ?
C131 C136 1.393(9) . ?
C12 C4 1.405(9) . ?
C12 C11 1.418(9) . ?
C25 C21 1.414(11) . ?
C25 C24 1.421(10) . ?
C25 H25 0.9300 . ?
C1 C2 1.378(9) . ?
C1 H1 0.9300 . ?
C7 C11 1.403(9) . ?
C7 C8 1.429(9) . ?
C7 C6 1.431(9) . ?
C4 C3 1.430(9) . ?
C4 C5 1.435(9) . ?
C24 C23 1.389(10) . ?
C24 H24 0.9300 . ?
C5 C6 1.348(9) . ?
C5 H5 0.9300 . ?
C112 C113 1.398(10) . ?
C112 H112 0.9300 . ?
C3 C2 1.396(9) . ?
C3 C31 1.477(9) . ?
C126 C125 1.395(10) . ?
C126 H126 0.9300 . ?
C122 C123 1.392(10) . ?
C122 H122 0.9300 . ?
C116 C115 1.381(10) . ?
C116 H116 0.9300 . ?
C35 C34 1.386(11) . ?
C35 C36 1.389(10) . ?
C35 H35 0.9300 . ?
C10 C9 1.396(9) . ?
C10 H10 0.9300 . ?
C125 C124 1.371(12) . ?
C125 H125 0.9300 . ?
C9 C8 1.370(9) . ?
C9 H9 0.9300 . ?
C21 C22 1.405(11) . ?
C21 H21 0.9300 . ?
C32 C33 1.383(10) . ?
C32 C31 1.385(10) . ?
C32 H32 0.9300 . ?
C6 H6 0.9300 . ?
C114 C113 1.374(10) . ?
C114 C115 1.379(10) . ?
C114 H114 0.9300 . ?
C133 H133 0.9300 . ?
C81 C86 1.368(11) . ?
C81 C82 1.390(11) . ?
C81 C8 1.488(9) . ?
C23 C22 1.410(12) . ?
C23 H23 0.9300 . ?
C124 C123 1.368(11) . ?
C124 H124 0.9300 . ?
C136 H136 0.9300 . ?
C34 C33 1.385(11) . ?
C34 H34 0.9300 . ?
C115 H115 0.9300 . ?
C36 C31 1.399(10) . ?
C36 H36 0.9300 . ?
C84 C83 1.367(12) . ?
C84 C85 1.370(13) . ?
C84 H84 0.9300 . ?
C113 H113 0.9300 . ?
C2 H2 0.9300 . ?
C33 H33 0.9300 . ?
C86 C85 1.396(10) . ?
C86 H86 0.9300 . ?
C82 C83 1.399(10) . ?
C82 H82 0.9300 . ?
C123 H123 0.9300 . ?
C83 H83 0.9300 . ?
C22 H22 0.9300 . ?
C85 H85 0.9300 . ?
P3 F5 1.576(5) . ?
P3 F6 1.582(5) . ?
P3 F2 1.587(4) . ?
P3 F4 1.591(5) . ?
P3 F3 1.601(5) . ?
P3 F1 1.613(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
N1 Ru1 N2 77.1(2) . . ?
N1 Ru1 C24 146.6(2) . . ?
N2 Ru1 C24 136.2(2) . . ?
N1 Ru1 C25 109.5(2) . . ?
N2 Ru1 C25 162.9(2) . . ?
C24 Ru1 C25 38.2(3) . . ?
N1 Ru1 C23 155.4(3) . . ?
N2 Ru1 C23 103.9(2) . . ?
C24 Ru1 C23 37.3(3) . . ?
C25 Ru1 C23 63.3(3) . . ?
N1 Ru1 C21 96.8(3) . . ?
N2 Ru1 C21 127.6(3) . . ?
C24 Ru1 C21 62.8(3) . . ?
C25 Ru1 C21 37.6(3) . . ?
C23 Ru1 C21 62.6(3) . . ?
N1 Ru1 C22 117.9(3) . . ?
N2 Ru1 C22 100.1(2) . . ?
C24 Ru1 C22 62.4(3) . . ?
C25 Ru1 C22 62.9(3) . . ?
C23 Ru1 C22 37.5(3) . . ?
C21 Ru1 C22 37.2(3) . . ?
N1 Ru1 P2 90.44(16) . . ?
N2 Ru1 P2 88.36(16) . . ?
C24 Ru1 P2 92.7(2) . . ?
C25 Ru1 P2 106.9(2) . . ?
C23 Ru1 P2 114.1(2) . . ?
C21 Ru1 P2 144.0(2) . . ?
C22 Ru1 P2 151.5(3) . . ?
C131 P2 C111 104.6(3) . . ?
C131 P2 C121 102.7(3) . . ?
C111 P2 C121 103.1(3) . . ?
C131 P2 Ru1 113.3(2) . . ?
C111 P2 Ru1 115.6(2) . . ?
C121 P2 Ru1 116.1(2) . . ?
C10 N2 C11 117.8(5) . . ?
C10 N2 Ru1 126.8(4) . . ?
C11 N2 Ru1 115.3(4) . . ?
C1 N1 C12 116.8(6) . . ?
C1 N1 Ru1 127.1(4) . . ?
C12 N1 Ru1 116.1(4) . . ?
C134 C135 C136 120.3(6) . . ?
C134 C135 H135 119.9 . . ?
C136 C135 H135 119.9 . . ?
C133 C132 C131 120.1(6) . . ?
C133 C132 H132 119.9 . . ?
C131 C132 H132 119.9 . . ?
C112 C111 C116 118.7(6) . . ?
C112 C111 P2 117.8(5) . . ?
C116 C111 P2 123.5(5) . . ?
C122 C121 C126 119.3(6) . . ?
C122 C121 P2 122.3(5) . . ?
C126 C121 P2 118.3(6) . . ?
C135 C134 C133 119.6(6) . . ?
C135 C134 H134 120.2 . . ?
C133 C134 H134 120.2 . . ?
C136 C131 C132 118.0(6) . . ?
C136 C131 P2 120.8(5) . . ?
C132 C131 P2 120.6(5) . . ?
N1 C12 C4 123.9(6) . . ?
N1 C12 C11 115.6(6) . . ?
C4 C12 C11 120.5(6) . . ?
C21 C25 C24 106.5(6) . . ?
C21 C25 Ru1 72.0(4) . . ?
C24 C25 Ru1 70.1(4) . . ?
C21 C25 H25 126.8 . . ?
C24 C25 H25 126.8 . . ?
Ru1 C25 H25 122.9 . . ?
N1 C1 C2 123.3(6) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C11 C7 C8 117.9(6) . . ?
C11 C7 C6 116.9(6) . . ?
C8 C7 C6 125.2(6) . . ?
C12 C4 C3 118.0(6) . . ?
C12 C4 C5 117.6(6) . . ?
C3 C4 C5 124.4(6) . . ?
C23 C24 C25 109.1(7) . . ?
C23 C24 Ru1 72.3(4) . . ?
C25 C24 Ru1 71.7(4) . . ?
C23 C24 H24 125.4 . . ?
C25 C24 H24 125.4 . . ?
Ru1 C24 H24 122.2 . . ?
C6 C5 C4 121.3(6) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
N2 C11 C7 123.0(6) . . ?
N2 C11 C12 115.8(6) . . ?
C7 C11 C12 121.1(6) . . ?
C111 C112 C113 120.0(7) . . ?
C111 C112 H112 120.0 . . ?
C113 C112 H112 120.0 . . ?
C2 C3 C4 116.6(6) . . ?
C2 C3 C31 120.3(6) . . ?
C4 C3 C31 123.0(6) . . ?
C125 C126 C121 120.0(7) . . ?
C125 C126 H126 120.0 . . ?
C121 C126 H126 120.0 . . ?
C121 C122 C123 120.0(7) . . ?
C121 C122 H122 120.0 . . ?
C123 C122 H122 120.0 . . ?
C115 C116 C111 120.3(6) . . ?
C115 C116 H116 119.8 . . ?
C111 C116 H116 119.8 . . ?
C34 C35 C36 120.2(7) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
N2 C10 C9 122.5(6) . . ?
N2 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
C124 C125 C126 119.7(7) . . ?
C124 C125 H125 120.1 . . ?
C126 C125 H125 120.1 . . ?
C8 C9 C10 121.3(6) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C22 C21 C25 108.5(7) . . ?
C22 C21 Ru1 71.5(4) . . ?
C25 C21 Ru1 70.4(4) . . ?
C22 C21 H21 125.8 . . ?
C25 C21 H21 125.8 . . ?
Ru1 C21 H21 123.9 . . ?
C33 C32 C31 121.0(7) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C5 C6 C7 122.3(6) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 H6 118.9 . . ?
C113 C114 C115 119.9(7) . . ?
C113 C114 H114 120.1 . . ?
C115 C114 H114 120.1 . . ?
C134 C133 C132 120.9(6) . . ?
C134 C133 H133 119.5 . . ?
C132 C133 H133 119.5 . . ?
C86 C81 C82 118.6(6) . . ?
C86 C81 C8 120.7(7) . . ?
C82 C81 C8 120.4(6) . . ?
C24 C23 C22 107.9(7) . . ?
C24 C23 Ru1 70.4(4) . . ?
C22 C23 Ru1 72.1(4) . . ?
C24 C23 H23 126.1 . . ?
C22 C23 H23 126.1 . . ?
Ru1 C23 H23 123.1 . . ?
C123 C124 C125 120.5(7) . . ?
C123 C124 H124 119.8 . . ?
C125 C124 H124 119.8 . . ?
C135 C136 C131 121.1(6) . . ?
C135 C136 H136 119.5 . . ?
C131 C136 H136 119.5 . . ?
C33 C34 C35 119.2(7) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C114 C115 C116 120.7(7) . . ?
C114 C115 H115 119.7 . . ?
C116 C115 H115 119.7 . . ?
C35 C36 C31 120.6(7) . . ?
C35 C36 H36 119.7 . . ?
C31 C36 H36 119.7 . . ?
C32 C31 C36 118.4(6) . . ?
C32 C31 C3 122.5(6) . . ?
C36 C31 C3 119.1(6) . . ?
C83 C84 C85 120.5(7) . . ?
C83 C84 H84 119.7 . . ?
C85 C84 H84 119.7 . . ?
C114 C113 C112 120.3(7) . . ?
C114 C113 H113 119.8 . . ?
C112 C113 H113 119.8 . . ?
C1 C2 C3 121.3(6) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 H2 119.4 . . ?
C9 C8 C7 117.3(6) . . ?
C9 C8 C81 119.5(6) . . ?
C7 C8 C81 123.2(6) . . ?
C32 C33 C34 120.6(8) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C81 C86 C85 121.2(8) . . ?
C81 C86 H86 119.4 . . ?
C85 C86 H86 119.4 . . ?
C81 C82 C83 120.4(7) . . ?
C81 C82 H82 119.8 . . ?
C83 C82 H82 119.8 . . ?
C124 C123 C122 120.5(8) . . ?
C124 C123 H123 119.8 . . ?
C122 C123 H123 119.8 . . ?
C84 C83 C82 119.7(8) . . ?
C84 C83 H83 120.1 . . ?
C82 C83 H83 120.1 . . ?
C21 C22 C23 108.0(7) . . ?
C21 C22 Ru1 71.3(4) . . ?
C23 C22 Ru1 70.4(4) . . ?
C21 C22 H22 126.0 . . ?
C23 C22 H22 126.0 . . ?
Ru1 C22 H22 123.9 . . ?
C84 C85 C86 119.5(8) . . ?
C84 C85 H85 120.3 . . ?
C86 C85 H85 120.3 . . ?
F5 P3 F6 179.0(3) . . ?
F5 P3 F2 90.1(3) . . ?
F6 P3 F2 90.9(3) . . ?
F5 P3 F4 91.3(3) . . ?
F6 P3 F4 88.9(3) . . ?
F2 P3 F4 90.2(3) . . ?
F5 P3 F3 89.2(3) . . ?
F6 P3 F3 89.8(3) . . ?
F2 P3 F3 178.7(3) . . ?
F4 P3 F3 90.9(3) . . ?
F5 P3 F1 90.2(3) . . ?
F6 P3 F1 89.7(3) . . ?
F2 P3 F1 89.1(2) . . ?
F4 P3 F1 178.3(3) . . ?
F3 P3 F1 89.8(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
C131 P2 C111 C112 -157.2(5) . . . . ?
C121 P2 C111 C112 95.8(5) . . . . ?
Ru1 P2 C111 C112 -31.9(6) . . . . ?
C131 P2 C111 C116 23.9(6) . . . . ?
C121 P2 C111 C116 -83.2(6) . . . . ?
Ru1 P2 C111 C116 149.2(5) . . . . ?
C131 P2 C121 C122 -91.8(6) . . . . ?
C111 P2 C121 C122 16.7(6) . . . . ?
Ru1 P2 C121 C122 144.1(5) . . . . ?
C131 P2 C121 C126 86.1(6) . . . . ?
C111 P2 C121 C126 -165.4(5) . . . . ?
Ru1 P2 C121 C126 -38.0(6) . . . . ?
C136 C135 C134 C133 -1.1(12) . . . . ?
C133 C132 C131 C136 0.7(11) . . . . ?
C133 C132 C131 P2 171.5(5) . . . . ?
C111 P2 C131 C136 -146.3(6) . . . . ?
C121 P2 C131 C136 -38.9(7) . . . . ?
Ru1 P2 C131 C136 87.0(6) . . . . ?
C111 P2 C131 C132 43.2(7) . . . . ?
C121 P2 C131 C132 150.6(6) . . . . ?
Ru1 P2 C131 C132 -83.5(6) . . . . ?
C1 N1 C12 C4 2.7(10) . . . . ?
Ru1 N1 C12 C4 -176.3(5) . . . . ?
C1 N1 C12 C11 -177.8(6) . . . . ?
Ru1 N1 C12 C11 3.2(8) . . . . ?
C12 N1 C1 C2 -3.2(10) . . . . ?
Ru1 N1 C1 C2 175.6(5) . . . . ?
N1 C12 C4 C3 -0.5(10) . . . . ?
C11 C12 C4 C3 -180.0(6) . . . . ?
N1 C12 C4 C5 178.1(6) . . . . ?
C11 C12 C4 C5 -1.3(10) . . . . ?
C21 C25 C24 C23 0.2(7) . . . . ?
Ru1 C25 C24 C23 -63.0(5) . . . . ?
C21 C25 C24 Ru1 63.2(5) . . . . ?
C12 C4 C5 C6 4.0(10) . . . . ?
C3 C4 C5 C6 -177.4(7) . . . . ?
C10 N2 C11 C7 -0.7(10) . . . . ?
Ru1 N2 C11 C7 -178.6(5) . . . . ?
C10 N2 C11 C12 177.9(6) . . . . ?
Ru1 N2 C11 C12 0.0(8) . . . . ?
C8 C7 C11 N2 3.8(10) . . . . ?
C6 C7 C11 N2 -175.1(6) . . . . ?
C8 C7 C11 C12 -174.7(6) . . . . ?
C6 C7 C11 C12 6.4(10) . . . . ?
N1 C12 C11 N2 -2.1(9) . . . . ?
C4 C12 C11 N2 177.4(6) . . . . ?
N1 C12 C11 C7 176.5(6) . . . . ?
C4 C12 C11 C7 -4.0(10) . . . . ?
C116 C111 C112 C113 1.4(10) . . . . ?
P2 C111 C112 C113 -177.6(5) . . . . ?
C12 C4 C3 C2 -1.2(10) . . . . ?
C5 C4 C3 C2 -179.7(7) . . . . ?
C12 C4 C3 C31 175.5(7) . . . . ?
C5 C4 C3 C31 -3.0(11) . . . . ?
C122 C121 C126 C125 -1.7(10) . . . . ?
P2 C121 C126 C125 -179.6(5) . . . . ?
C126 C121 C122 C123 0.8(11) . . . . ?
P2 C121 C122 C123 178.6(6) . . . . ?
C112 C111 C116 C115 1.1(10) . . . . ?
P2 C111 C116 C115 -179.9(5) . . . . ?
C11 N2 C10 C9 -1.8(10) . . . . ?
Ru1 N2 C10 C9 175.9(5) . . . . ?
C121 C126 C125 C124 2.2(11) . . . . ?
N2 C10 C9 C8 0.9(12) . . . . ?
C24 C25 C21 C22 -0.2(8) . . . . ?
Ru1 C25 C21 C22 61.7(5) . . . . ?
C24 C25 C21 Ru1 -61.9(4) . . . . ?
C4 C5 C6 C7 -1.4(11) . . . . ?
C11 C7 C6 C5 -3.8(11) . . . . ?
C8 C7 C6 C5 177.5(7) . . . . ?
C135 C134 C133 C132 0.5(11) . . . . ?
C131 C132 C133 C134 -0.3(11) . . . . ?
C25 C24 C23 C22 -0.1(8) . . . . ?
Ru1 C24 C23 C22 -62.8(5) . . . . ?
C25 C24 C23 Ru1 62.6(5) . . . . ?
C126 C125 C124 C123 -1.9(12) . . . . ?
C134 C135 C136 C131 1.5(12) . . . . ?
C132 C131 C136 C135 -1.3(11) . . . . ?
P2 C131 C136 C135 -172.1(6) . . . . ?
C36 C35 C34 C33 1.8(12) . . . . ?
C113 C114 C115 C116 3.0(11) . . . . ?
C111 C116 C115 C114 -3.4(11) . . . . ?
C34 C35 C36 C31 -0.6(12) . . . . ?
C33 C32 C31 C36 -0.1(11) . . . . ?
C33 C32 C31 C3 -179.7(7) . . . . ?
C35 C36 C31 C32 -0.3(11) . . . . ?
C35 C36 C31 C3 179.4(7) . . . . ?
C2 C3 C31 C32 -123.9(8) . . . . ?
C4 C3 C31 C32 59.5(10) . . . . ?
C2 C3 C31 C36 56.5(10) . . . . ?
C4 C3 C31 C36 -120.1(8) . . . . ?
C115 C114 C113 C112 -0.4(11) . . . . ?
C111 C112 C113 C114 -1.8(11) . . . . ?
N1 C1 C2 C3 1.6(11) . . . . ?
C4 C3 C2 C1 0.7(11) . . . . ?
C31 C3 C2 C1 -176.1(7) . . . . ?
C10 C9 C8 C7 2.3(11) . . . . ?
C10 C9 C8 C81 -175.8(7) . . . . ?
C11 C7 C8 C9 -4.5(10) . . . . ?
C6 C7 C8 C9 174.3(7) . . . . ?
C11 C7 C8 C81 173.6(7) . . . . ?
C6 C7 C8 C81 -7.7(11) . . . . ?
C86 C81 C8 C9 -49.1(10) . . . . ?
C82 C81 C8 C9 124.4(8) . . . . ?
C86 C81 C8 C7 132.9(8) . . . . ?
C82 C81 C8 C7 -53.6(10) . . . . ?
C31 C32 C33 C34 1.3(12) . . . . ?
C35 C34 C33 C32 -2.2(13) . . . . ?
C82 C81 C86 C85 0.1(12) . . . . ?
C8 C81 C86 C85 173.7(8) . . . . ?
C86 C81 C82 C83 -0.5(11) . . . . ?
C8 C81 C82 C83 -174.2(6) . . . . ?
C125 C124 C123 C122 1.0(13) . . . . ?
C121 C122 C123 C124 -0.4(12) . . . . ?
C85 C84 C83 C82 -2.1(12) . . . . ?
C81 C82 C83 C84 1.5(11) . . . . ?
C25 C21 C22 C23 0.2(8) . . . . ?
Ru1 C21 C22 C23 61.2(5) . . . . ?
C25 C21 C22 Ru1 -61.0(5) . . . . ?
C24 C23 C22 C21 0.0(8) . . . . ?
Ru1 C23 C22 C21 -61.7(5) . . . . ?
C24 C23 C22 Ru1 61.7(5) . . . . ?
C83 C84 C85 C86 1.7(14) . . . . ?
C81 C86 C85 C84 -0.7(14) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C132 H132 F5 0.93 2.52 3.250(8) 135.6 2_655
C10 H10 F1 0.93 2.49 3.404(8) 166.2 .

_refine_diff_density_max         1.875
_refine_diff_density_min         -0.977
_refine_diff_density_rms         0.136

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1444130'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H32 F6 N2 P2 Ru'
_chemical_formula_weight         829.69

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'
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'
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                   8.9767(9)
_cell_length_b                   11.4668(12)
_cell_length_c                   18.2078(19)
_cell_angle_alpha                103.419(4)
_cell_angle_beta                 102.943(4)
_cell_angle_gamma                99.850(4)
_cell_volume                     1726.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9898
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      27.07

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_F_000             840
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    0.614
_shelx_estimated_absorpt_T_min   0.791
_shelx_estimated_absorpt_T_max   0.908
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.6604
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29218
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.365
_diffrn_reflns_theta_max         27.093
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             7583
_reflns_number_gt                6685
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    SIR98
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0340P)²+0.8212P] 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         7583
_refine_ls_number_parameters     472
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_ref         0.0779
_refine_ls_wR_factor_gt          0.0752
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_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 0.70616(2) 0.40765(2) 0.82026(2) 0.01442(6) Uani 1 1 d . . . . .
P1 P 0.45902(6) 0.44831(4) 0.78375(3) 0.01452(11) Uani 1 1 d . . . . .
P2 P 1.0000 0.0000 1.0000 0.02098(17) Uani 1 2 d S . P . .
P3 P 0.0000 0.0000 0.5000 0.0335(2) Uani 1 2 d S . P . .
C121 C 0.2989(2) 0.33672(17) 0.79550(12) 0.0174(4) Uani 1 1 d . . . . .
C131 C 0.4003(2) 0.44579(19) 0.68039(12) 0.0189(4) Uani 1 1 d . . . . .
F1 F 1.08038(19) 0.14416(12) 1.03595(9) 0.0426(4) Uani 1 1 d . . . . .
N2 N 0.77586(19) 0.45375(15) 0.72480(10) 0.0166(4) Uani 1 1 d . . . . .
F2 F 0.88867(17) 0.01083(13) 1.05732(9) 0.0352(3) Uani 1 1 d . . . . .
C111 C 0.4197(2) 0.59319(18) 0.83621(12) 0.0173(4) Uani 1 1 d . . . . .
N1 N 0.6436(2) 0.23628(15) 0.73279(10) 0.0178(4) Uani 1 1 d . . . . .
F3 F 0.87167(18) 0.02938(15) 0.93496(9) 0.0410(4) Uani 1 1 d . . . . .
C10 C 0.7858(2) 0.35719(19) 0.66989(12) 0.0193(4) Uani 1 1 d . . . . .
C116 C 0.2644(2) 0.6054(2) 0.82511(13) 0.0219(5) Uani 1 1 d . . . . .
H116 H 0.1832 0.5422 0.7897 0.026 Uiso 1 1 calc R U . . .
F4 F 0.0014(2) 0.13909(14) 0.54022(11) 0.0585(5) Uani 1 1 d . . . . .
C136 C 0.3755(3) 0.3347(2) 0.62235(13) 0.0232(5) Uani 1 1 d . . . . .
H136 H 0.3820 0.2626 0.6367 0.028 Uiso 1 1 calc R U . . .
C23 C 0.7517(3) 0.5032(2) 0.94478(12) 0.0262(5) Uani 1 1 d . . . . .
H23 H 0.6881 0.5517 0.9639 0.031 Uiso 1 1 calc R U . . .
C13 C 0.9209(3) 0.5888(2) 0.66508(13) 0.0241(5) Uani 1 1 d . . . . .
C115 C 0.2302(3) 0.7099(2) 0.86602(14) 0.0263(5) Uani 1 1 d . . . . .
H115 H 0.1265 0.7170 0.8575 0.032 Uiso 1 1 calc R U . . .
C17 C 0.8057(3) 0.67507(19) 0.76806(13) 0.0223(5) Uani 1 1 d . . . . .
H17 H 0.7499 0.6649 0.8044 0.027 Uiso 1 1 calc R U . . .
C132 C 0.3939(3) 0.5529(2) 0.65777(13) 0.0256(5) Uani 1 1 d . . . . .
H132 H 0.4111 0.6276 0.6955 0.031 Uiso 1 1 calc R U . . .
C113 C 0.5039(3) 0.7961(2) 0.93051(13) 0.0251(5) Uani 1 1 d . . . . .
H113 H 0.5846 0.8604 0.9653 0.030 Uiso 1 1 calc R U . . .
C21 C 0.8554(3) 0.3383(2) 0.90659(13) 0.0231(5) Uani 1 1 d . . . . .
H21 H 0.8721 0.2590 0.8960 0.028 Uiso 1 1 calc R U . . .
C122 C 0.3107(2) 0.32636(19) 0.87094(12) 0.0199(4) Uani 1 1 d . . . . .
H122 H 0.3917 0.3797 0.9127 0.024 Uiso 1 1 calc R U . . .
C124 C 0.0815(3) 0.15729(19) 0.82226(14) 0.0246(5) Uani 1 1 d . . . . .
H124 H 0.0111 0.0957 0.8308 0.030 Uiso 1 1 calc R U . . .
C2 C 0.4975(3) 0.1196(2) 0.79951(14) 0.0256(5) Uani 1 1 d . . . . .
H2 H 0.5098 0.1919 0.8386 0.031 Uiso 1 1 calc R U . . .
C125 C 0.0661(3) 0.16939(19) 0.74829(14) 0.0252(5) Uani 1 1 d . . . . .
H125 H -0.0167 0.1174 0.7069 0.030 Uiso 1 1 calc R U . . .
C24 C 0.8834(3) 0.5450(2) 0.91909(12) 0.0252(5) Uani 1 1 d . . . . .
H24 H 0.9210 0.6251 0.9179 0.030 Uiso 1 1 calc R U . . .
C22 C 0.7329(3) 0.3746(2) 0.93659(13) 0.0248(5) Uani 1 1 d . . . . .
H22 H 0.6548 0.3241 0.9487 0.030 Uiso 1 1 calc R U . . .
C112 C 0.5388(3) 0.69074(19) 0.88899(12) 0.0204(4) Uani 1 1 d . . . . .
H112 H 0.6431 0.6853 0.8965 0.024 Uiso 1 1 calc R U . . .
C9 C 0.7028(3) 0.23597(19) 0.67144(13) 0.0203(4) Uani 1 1 d . . . . .
C18 C 0.8345(2) 0.57129(19) 0.71998(12) 0.0191(4) Uani 1 1 d . . . . .
C11 C 0.8710(3) 0.3698(2) 0.61474(13) 0.0253(5) Uani 1 1 d . . . . .
H11 H 0.8782 0.3001 0.5788 0.030 Uiso 1 1 calc R U . . .
C1 C 0.5624(3) 0.12394(19) 0.73665(13) 0.0225(5) Uani 1 1 d . . . . .
C6 C 0.5413(3) 0.0130(2) 0.67707(15) 0.0326(6) Uani 1 1 d . . . . .
C25 C 0.9480(3) 0.4415(2) 0.89525(13) 0.0235(5) Uani 1 1 d . . . . .
H25 H 1.0353 0.4421 0.8758 0.028 Uiso 1 1 calc R U . . .
C135 C 0.3416(3) 0.3315(2) 0.54393(13) 0.0294(5) Uani 1 1 d . . . . .
H135 H 0.3225 0.2570 0.5057 0.035 Uiso 1 1 calc R U . . .
C123 C 0.2029(3) 0.2373(2) 0.88509(14) 0.0236(5) Uani 1 1 d . . . . .
H123 H 0.2117 0.2311 0.9359 0.028 Uiso 1 1 calc R U . . .
C126 C 0.1736(2) 0.25909(19) 0.73401(13) 0.0215(5) Uani 1 1 d . . . . .
H126 H 0.1615 0.2670 0.6834 0.026 Uiso 1 1 calc R U . . .
C114 C 0.3498(3) 0.8048(2) 0.92004(14) 0.0269(5) Uani 1 1 d . . . . .
H114 H 0.3258 0.8738 0.9490 0.032 Uiso 1 1 calc R U . . .
C134 C 0.3360(3) 0.4382(2) 0.52238(14) 0.0337(6) Uani 1 1 d . . . . .
H134 H 0.3147 0.4360 0.4696 0.040 Uiso 1 1 calc R U . . .
F5 F 0.1816(2) 0.02588(18) 0.54293(14) 0.0802(7) Uani 1 1 d . . . . .
C133 C 0.3618(3) 0.5484(2) 0.57885(14) 0.0341(6) Uani 1 1 d . . . . .
H133 H 0.3576 0.6203 0.5640 0.041 Uiso 1 1 calc R U . . .
C12 C 0.9425(3) 0.4836(2) 0.61425(14) 0.0287(5) Uani 1 1 d . . . . .
H12 H 1.0053 0.4924 0.5807 0.034 Uiso 1 1 calc R U . . .
C8 C 0.6830(3) 0.1278(2) 0.61024(14) 0.0302(5) Uani 1 1 d . . . . .
H8 H 0.7236 0.1319 0.5679 0.036 Uiso 1 1 calc R U . . .
F6 F 0.0479(3) 0.04034(18) 0.42966(12) 0.0786(7) Uani 1 1 d . . . . .
C14 C 0.9768(3) 0.7105(2) 0.66198(15) 0.0348(6) Uani 1 1 d . . . . .
H14 H 1.0360 0.7232 0.6274 0.042 Uiso 1 1 calc R U . . .
C15 C 0.9454(3) 0.8089(2) 0.70877(15) 0.0388(7) Uani 1 1 d . . . . .
H15 H 0.9813 0.8880 0.7054 0.047 Uiso 1 1 calc R U . . .
C16 C 0.8586(3) 0.7911(2) 0.76221(14) 0.0307(5) Uani 1 1 d . . . . .
H16 H 0.8368 0.8586 0.7939 0.037 Uiso 1 1 calc R U . . .
C3 C 0.4157(3) 0.0095(2) 0.80384(17) 0.0345(6) Uani 1 1 d . . . . .
H3 H 0.3729 0.0078 0.8457 0.041 Uiso 1 1 calc R U . . .
C4 C 0.3967(4) -0.1002(2) 0.74536(19) 0.0466(8) Uani 1 1 d . . . . .
H4 H 0.3419 -0.1743 0.7489 0.056 Uiso 1 1 calc R U . . .
C7 C 0.6043(3) 0.0182(2) 0.61383(16) 0.0385(7) Uani 1 1 d . . . . .
H7 H 0.5921 -0.0535 0.5743 0.046 Uiso 1 1 calc R U . . .
C5 C 0.4574(4) -0.0987(2) 0.68403(19) 0.0488(8) Uani 1 1 d . . . . .
H5 H 0.4439 -0.1721 0.6457 0.059 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 N1 2.1173(17) . ?
Ru1 N2 2.1196(17) . ?
Ru1 C23 2.188(2) . ?
Ru1 C24 2.190(2) . ?
Ru1 C22 2.205(2) . ?
Ru1 C25 2.205(2) . ?
Ru1 C21 2.213(2) . ?
Ru1 P1 2.3277(6) . ?
P1 C131 1.829(2) . ?
P1 C121 1.840(2) . ?
P1 C111 1.847(2) . ?
P2 F3 1.5968(15) 2_757 ?
P2 F3 1.5968(15) . ?
P2 F2 1.5977(13) 2_757 ?
P2 F2 1.5977(13) . ?
P2 F1 1.5999(13) . ?
P2 F1 1.5999(13) 2_757 ?
P3 F6 1.5788(19) 2_556 ?
P3 F6 1.5788(19) . ?
P3 F5 1.5850(19) . ?
P3 F5 1.5851(19) 2_556 ?
P3 F4 1.5897(15) 2_556 ?
P3 F4 1.5897(15) . ?
C121 C122 1.388(3) . ?
C121 C126 1.394(3) . ?
C131 C132 1.389(3) . ?
C131 C136 1.401(3) . ?
N2 C10 1.339(3) . ?
N2 C18 1.391(3) . ?
C111 C112 1.396(3) . ?
C111 C116 1.399(3) . ?
N1 C9 1.339(3) . ?
N1 C1 1.393(3) . ?
C10 C11 1.410(3) . ?
C10 C9 1.470(3) . ?
C116 C115 1.378(3) . ?
C116 H116 0.9300 . ?
C136 C135 1.382(3) . ?
C136 H136 0.9300 . ?
C23 C24 1.416(3) . ?
C23 C22 1.423(3) . ?
C23 H23 0.9300 . ?
C13 C12 1.411(3) . ?
C13 C14 1.419(3) . ?
C13 C18 1.424(3) . ?
C115 C114 1.391(3) . ?
C115 H115 0.9300 . ?
C17 C16 1.371(3) . ?
C17 C18 1.405(3) . ?
C17 H17 0.9300 . ?
C132 C133 1.388(3) . ?
C132 H132 0.9300 . ?
C113 C114 1.378(3) . ?
C113 C112 1.393(3) . ?
C113 H113 0.9300 . ?
C21 C25 1.410(3) . ?
C21 C22 1.414(3) . ?
C21 H21 0.9300 . ?
C122 C123 1.394(3) . ?
C122 H122 0.9300 . ?
C124 C125 1.365(3) . ?
C124 C123 1.396(3) . ?
C124 H124 0.9300 . ?
C2 C3 1.377(3) . ?
C2 C1 1.403(3) . ?
C2 H2 0.9300 . ?
C125 C126 1.398(3) . ?
C125 H125 0.9300 . ?
C24 C25 1.428(3) . ?
C24 H24 0.9300 . ?
C22 H22 0.9300 . ?
C112 H112 0.9300 . ?
C9 C8 1.417(3) . ?
C11 C12 1.356(3) . ?
C11 H11 0.9300 . ?
C1 C6 1.420(3) . ?
C6 C7 1.400(4) . ?
C6 C5 1.419(3) . ?
C25 H25 0.9300 . ?
C135 C134 1.375(4) . ?
C135 H135 0.9300 . ?
C123 H123 0.9300 . ?
C126 H126 0.9300 . ?
C114 H114 0.9300 . ?
C134 C133 1.377(3) . ?
C134 H134 0.9300 . ?
C133 H133 0.9300 . ?
C12 H12 0.9300 . ?
C8 C7 1.355(3) . ?
C8 H8 0.9300 . ?
C14 C15 1.360(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.404(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C3 C4 1.403(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.350(4) . ?
C4 H4 0.9300 . ?
C7 H7 0.9300 . ?
C5 H5 0.9300 . ?

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
N1 Ru1 N2 76.51(6) . . ?
N1 Ru1 C23 146.91(8) . . ?
N2 Ru1 C23 134.58(8) . . ?
N1 Ru1 C24 148.93(8) . . ?
N2 Ru1 C24 100.30(8) . . ?
C23 Ru1 C24 37.74(9) . . ?
N1 Ru1 C22 109.29(8) . . ?
N2 Ru1 C22 157.84(8) . . ?
C23 Ru1 C22 37.80(9) . . ?
C24 Ru1 C22 63.32(9) . . ?
N1 Ru1 C25 111.05(8) . . ?
N2 Ru1 C25 94.96(8) . . ?
C23 Ru1 C25 62.92(9) . . ?
C24 Ru1 C25 37.93(9) . . ?
C22 Ru1 C25 62.89(8) . . ?
N1 Ru1 C21 92.70(8) . . ?
N2 Ru1 C21 123.12(8) . . ?
C23 Ru1 C21 62.44(9) . . ?
C24 Ru1 C21 62.72(8) . . ?
C22 Ru1 C21 37.34(8) . . ?
C25 Ru1 C21 37.22(8) . . ?
N1 Ru1 P1 93.71(5) . . ?
N2 Ru1 P1 93.91(5) . . ?
C23 Ru1 P1 94.62(6) . . ?
C24 Ru1 P1 117.36(7) . . ?
C22 Ru1 P1 106.75(6) . . ?
C25 Ru1 P1 155.03(6) . . ?
C21 Ru1 P1 142.88(6) . . ?
C131 P1 C121 104.95(9) . . ?
C131 P1 C111 103.96(10) . . ?
C121 P1 C111 99.44(9) . . ?
C131 P1 Ru1 112.43(7) . . ?
C121 P1 Ru1 114.13(7) . . ?
C111 P1 Ru1 120.10(7) . . ?
F3 P2 F3 180.0 2_757 . ?
F3 P2 F2 90.09(8) 2_757 2_757 ?
F3 P2 F2 89.91(8) . 2_757 ?
F3 P2 F2 89.91(8) 2_757 . ?
F3 P2 F2 90.09(8) . . ?
F2 P2 F2 180.0 2_757 . ?
F3 P2 F1 89.96(9) 2_757 . ?
F3 P2 F1 90.04(9) . . ?
F2 P2 F1 89.84(8) 2_757 . ?
F2 P2 F1 90.16(8) . . ?
F3 P2 F1 90.04(9) 2_757 2_757 ?
F3 P2 F1 89.96(9) . 2_757 ?
F2 P2 F1 90.16(8) 2_757 2_757 ?
F2 P2 F1 89.84(8) . 2_757 ?
F1 P2 F1 180.0 . 2_757 ?
F6 P3 F6 180.0 2_556 . ?
F6 P3 F5 91.90(13) 2_556 . ?
F6 P3 F5 88.10(13) . . ?
F6 P3 F5 88.10(13) 2_556 2_556 ?
F6 P3 F5 91.90(13) . 2_556 ?
F5 P3 F5 180.0 . 2_556 ?
F6 P3 F4 89.65(10) 2_556 2_556 ?
F6 P3 F4 90.35(10) . 2_556 ?
F5 P3 F4 90.26(10) . 2_556 ?
F5 P3 F4 89.74(10) 2_556 2_556 ?
F6 P3 F4 90.35(10) 2_556 . ?
F6 P3 F4 89.65(10) . . ?
F5 P3 F4 89.74(10) . . ?
F5 P3 F4 90.26(10) 2_556 . ?
F4 P3 F4 180.00(13) 2_556 . ?
C122 C121 C126 118.81(19) . . ?
C122 C121 P1 116.48(15) . . ?
C126 C121 P1 124.62(17) . . ?
C132 C131 C136 118.8(2) . . ?
C132 C131 P1 121.86(16) . . ?
C136 C131 P1 119.06(17) . . ?
C10 N2 C18 117.80(18) . . ?
C10 N2 Ru1 114.34(14) . . ?
C18 N2 Ru1 127.00(13) . . ?
C112 C111 C116 118.01(19) . . ?
C112 C111 P1 122.64(16) . . ?
C116 C111 P1 119.32(15) . . ?
C9 N1 C1 117.77(17) . . ?
C9 N1 Ru1 115.13(13) . . ?
C1 N1 Ru1 126.76(14) . . ?
N2 C10 C11 122.77(19) . . ?
N2 C10 C9 115.30(19) . . ?
C11 C10 C9 121.93(19) . . ?
C115 C116 C111 120.9(2) . . ?
C115 C116 H116 119.6 . . ?
C111 C116 H116 119.6 . . ?
C135 C136 C131 120.4(2) . . ?
C135 C136 H136 119.8 . . ?
C131 C136 H136 119.8 . . ?
C24 C23 C22 108.7(2) . . ?
C24 C23 Ru1 71.21(12) . . ?
C22 C23 Ru1 71.77(12) . . ?
C24 C23 H23 125.6 . . ?
C22 C23 H23 125.6 . . ?
Ru1 C23 H23 123.0 . . ?
C12 C13 C14 122.8(2) . . ?
C12 C13 C18 118.4(2) . . ?
C14 C13 C18 118.8(2) . . ?
C116 C115 C114 120.4(2) . . ?
C116 C115 H115 119.8 . . ?
C114 C115 H115 119.8 . . ?
C16 C17 C18 120.9(2) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C133 C132 C131 120.0(2) . . ?
C133 C132 H132 120.0 . . ?
C131 C132 H132 120.0 . . ?
C114 C113 C112 119.9(2) . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C25 C21 C22 109.1(2) . . ?
C25 C21 Ru1 71.10(12) . . ?
C22 C21 Ru1 71.03(13) . . ?
C25 C21 H21 125.4 . . ?
C22 C21 H21 125.4 . . ?
Ru1 C21 H21 124.0 . . ?
C121 C122 C123 121.0(2) . . ?
C121 C122 H122 119.5 . . ?
C123 C122 H122 119.5 . . ?
C125 C124 C123 120.1(2) . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C3 C2 C1 120.6(2) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C124 C125 C126 120.7(2) . . ?
C124 C125 H125 119.6 . . ?
C126 C125 H125 119.6 . . ?
C23 C24 C25 107.5(2) . . ?
C23 C24 Ru1 71.05(12) . . ?
C25 C24 Ru1 71.64(12) . . ?
C23 C24 H24 126.3 . . ?
C25 C24 H24 126.3 . . ?
Ru1 C24 H24 122.7 . . ?
C21 C22 C23 107.0(2) . . ?
C21 C22 Ru1 71.63(12) . . ?
C23 C22 Ru1 70.44(12) . . ?
C21 C22 H22 126.5 . . ?
C23 C22 H22 126.5 . . ?
Ru1 C22 H22 123.1 . . ?
C113 C112 C111 121.0(2) . . ?
C113 C112 H112 119.5 . . ?
C111 C112 H112 119.5 . . ?
N1 C9 C8 123.0(2) . . ?
N1 C9 C10 115.47(18) . . ?
C8 C9 C10 121.5(2) . . ?
N2 C18 C17 120.31(19) . . ?
N2 C18 C13 120.97(19) . . ?
C17 C18 C13 118.7(2) . . ?
C12 C11 C10 119.9(2) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
N1 C1 C2 119.88(19) . . ?
N1 C1 C6 121.1(2) . . ?
C2 C1 C6 119.0(2) . . ?
C7 C6 C5 122.6(2) . . ?
C7 C6 C1 118.7(2) . . ?
C5 C6 C1 118.7(2) . . ?
C21 C25 C24 107.7(2) . . ?
C21 C25 Ru1 71.68(12) . . ?
C24 C25 Ru1 70.44(12) . . ?
C21 C25 H25 126.2 . . ?
C24 C25 H25 126.2 . . ?
Ru1 C25 H25 123.4 . . ?
C134 C135 C136 120.1(2) . . ?
C134 C135 H135 119.9 . . ?
C136 C135 H135 119.9 . . ?
C122 C123 C124 119.3(2) . . ?
C122 C123 H123 120.3 . . ?
C124 C123 H123 120.3 . . ?
C121 C126 C125 120.0(2) . . ?
C121 C126 H126 120.0 . . ?
C125 C126 H126 120.0 . . ?
C113 C114 C115 119.7(2) . . ?
C113 C114 H114 120.2 . . ?
C115 C114 H114 120.2 . . ?
C135 C134 C133 120.1(2) . . ?
C135 C134 H134 120.0 . . ?
C133 C134 H134 120.0 . . ?
C134 C133 C132 120.5(2) . . ?
C134 C133 H133 119.7 . . ?
C132 C133 H133 119.7 . . ?
C11 C12 C13 119.5(2) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C7 C8 C9 119.4(2) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C15 C14 C13 121.0(2) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 120.0(2) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.5(2) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C2 C3 C4 120.3(2) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 120.4(2) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C8 C7 C6 120.0(2) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C4 C5 C6 121.1(2) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?

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
C131 P1 C121 C122 -176.33(16) . . . . ?
C111 P1 C121 C122 -69.02(18) . . . . ?
Ru1 P1 C121 C122 60.14(17) . . . . ?
C131 P1 C121 C126 7.1(2) . . . . ?
C111 P1 C121 C126 114.43(19) . . . . ?
Ru1 P1 C121 C126 -116.40(18) . . . . ?
C121 P1 C131 C132 126.68(19) . . . . ?
C111 P1 C131 C132 22.7(2) . . . . ?
Ru1 P1 C131 C132 -108.71(18) . . . . ?
C121 P1 C131 C136 -59.51(19) . . . . ?
C111 P1 C131 C136 -163.47(17) . . . . ?
Ru1 P1 C131 C136 65.10(18) . . . . ?
C131 P1 C111 C112 -115.76(18) . . . . ?
C121 P1 C111 C112 136.13(18) . . . . ?
Ru1 P1 C111 C112 11.0(2) . . . . ?
C131 P1 C111 C116 66.37(19) . . . . ?
C121 P1 C111 C116 -41.74(19) . . . . ?
Ru1 P1 C111 C116 -166.86(14) . . . . ?
C18 N2 C10 C11 8.8(3) . . . . ?
Ru1 N2 C10 C11 -161.34(17) . . . . ?
C18 N2 C10 C9 -171.86(18) . . . . ?
Ru1 N2 C10 C9 18.0(2) . . . . ?
C112 C111 C116 C115 -1.0(3) . . . . ?
P1 C111 C116 C115 176.99(17) . . . . ?
C132 C131 C136 C135 -1.6(3) . . . . ?
P1 C131 C136 C135 -175.58(18) . . . . ?
C111 C116 C115 C114 -0.8(3) . . . . ?
C136 C131 C132 C133 0.7(3) . . . . ?
P1 C131 C132 C133 174.51(19) . . . . ?
C126 C121 C122 C123 2.3(3) . . . . ?
P1 C121 C122 C123 -174.48(17) . . . . ?
C123 C124 C125 C126 1.9(3) . . . . ?
C22 C23 C24 C25 -0.5(2) . . . . ?
Ru1 C23 C24 C25 -62.80(15) . . . . ?
C22 C23 C24 Ru1 62.33(15) . . . . ?
C25 C21 C22 C23 -0.7(2) . . . . ?
Ru1 C21 C22 C23 -61.92(15) . . . . ?
C25 C21 C22 Ru1 61.21(15) . . . . ?
C24 C23 C22 C21 0.7(2) . . . . ?
Ru1 C23 C22 C21 62.71(15) . . . . ?
C24 C23 C22 Ru1 -61.98(15) . . . . ?
C114 C113 C112 C111 0.3(3) . . . . ?
C116 C111 C112 C113 1.2(3) . . . . ?
P1 C111 C112 C113 -176.66(17) . . . . ?
C1 N1 C9 C8 1.5(3) . . . . ?
Ru1 N1 C9 C8 175.28(18) . . . . ?
C1 N1 C9 C10 179.37(18) . . . . ?
Ru1 N1 C9 C10 -6.9(2) . . . . ?
N2 C10 C9 N1 -7.5(3) . . . . ?
C11 C10 C9 N1 171.9(2) . . . . ?
N2 C10 C9 C8 170.4(2) . . . . ?
C11 C10 C9 C8 -10.2(3) . . . . ?
C10 N2 C18 C17 170.0(2) . . . . ?
Ru1 N2 C18 C17 -21.2(3) . . . . ?
C10 N2 C18 C13 -8.3(3) . . . . ?
Ru1 N2 C18 C13 160.44(16) . . . . ?
C16 C17 C18 N2 -178.0(2) . . . . ?
C16 C17 C18 C13 0.4(3) . . . . ?
C12 C13 C18 N2 1.5(3) . . . . ?
C14 C13 C18 N2 179.4(2) . . . . ?
C12 C13 C18 C17 -176.8(2) . . . . ?
C14 C13 C18 C17 1.0(3) . . . . ?
N2 C10 C11 C12 -2.3(3) . . . . ?
C9 C10 C11 C12 178.3(2) . . . . ?
C9 N1 C1 C2 -179.6(2) . . . . ?
Ru1 N1 C1 C2 7.5(3) . . . . ?
C9 N1 C1 C6 -0.8(3) . . . . ?
Ru1 N1 C1 C6 -173.70(18) . . . . ?
C3 C2 C1 N1 179.4(2) . . . . ?
C3 C2 C1 C6 0.6(4) . . . . ?
N1 C1 C6 C7 0.2(4) . . . . ?
C2 C1 C6 C7 179.0(2) . . . . ?
N1 C1 C6 C5 -179.9(3) . . . . ?
C2 C1 C6 C5 -1.1(4) . . . . ?
C22 C21 C25 C24 0.4(2) . . . . ?
Ru1 C21 C25 C24 61.60(15) . . . . ?
C22 C21 C25 Ru1 -61.16(15) . . . . ?
C23 C24 C25 C21 0.0(2) . . . . ?
Ru1 C24 C25 C21 -62.40(15) . . . . ?
C23 C24 C25 Ru1 62.42(15) . . . . ?
C131 C136 C135 C134 1.8(4) . . . . ?
C121 C122 C123 C124 0.1(3) . . . . ?
C125 C124 C123 C122 -2.2(3) . . . . ?
C122 C121 C126 C125 -2.6(3) . . . . ?
P1 C121 C126 C125 173.88(17) . . . . ?
C124 C125 C126 C121 0.6(3) . . . . ?
C112 C113 C114 C115 -2.1(4) . . . . ?
C116 C115 C114 C113 2.4(4) . . . . ?
C136 C135 C134 C133 -1.0(4) . . . . ?
C135 C134 C133 C132 0.1(4) . . . . ?
C131 C132 C133 C134 0.0(4) . . . . ?
C10 C11 C12 C13 -4.8(4) . . . . ?
C14 C13 C12 C11 -172.7(2) . . . . ?
C18 C13 C12 C11 5.0(3) . . . . ?
N1 C9 C8 C7 -1.7(4) . . . . ?
C10 C9 C8 C7 -179.4(2) . . . . ?
C12 C13 C14 C15 175.9(3) . . . . ?
C18 C13 C14 C15 -1.8(4) . . . . ?
C13 C14 C15 C16 1.1(4) . . . . ?
C18 C17 C16 C15 -1.1(4) . . . . ?
C14 C15 C16 C17 0.4(4) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C9 C8 C7 C6 1.0(4) . . . . ?
C5 C6 C7 C8 179.8(3) . . . . ?
C1 C6 C7 C8 -0.3(4) . . . . ?
C3 C4 C5 C6 -0.1(5) . . . . ?
C7 C6 C5 C4 -179.2(3) . . . . ?
C1 C6 C5 C4 0.8(5) . . . . ?

_refine_diff_density_max         0.624
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.074

_shelxl_version_number           2013-4

