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

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

data_Complex_1
_database_code_depnum_ccdc_archive 'CCDC 1828213'
_audit_update_record             
;
2018-03-07 deposited with the CCDC.
2018-06-29 downloaded from the CCDC.
;
_audit_creation_date             2018-02-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C65 H51 Cl N3 P2 Ru, F6 P, 0.5(C Cl2)'
_chemical_formula_sum            'C65 H49 Cl F7 N3 P3 Ru'
_chemical_formula_weight         1234.50
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.204(3)
_cell_length_b                   17.591(3)
_cell_length_c                   22.635(4)
_cell_angle_alpha                89.925(7)
_cell_angle_beta                 81.885(6)
_cell_angle_gamma                89.877(6)
_cell_volume                     5599.1(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6049
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.055
_cell_measurement_theta_min      2.1665
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.482
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.792755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2004/1 (Bruker,2004) was used for absorption correction.
R(int) was 0.0676 before and 0.0553 after correction.
The Ratio of minimum to maximum transmission is 0.7928.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   SADABS
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2516
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0901
_diffrn_reflns_av_unetI/netI     0.1064
_diffrn_reflns_Laue_measured_fraction_full 0.940
_diffrn_reflns_Laue_measured_fraction_max 0.645
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            71643
_diffrn_reflns_point_group_measured_fraction_full 0.940
_diffrn_reflns_point_group_measured_fraction_max 0.645
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.438
_diffrn_reflns_theta_min         0.909
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.645
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14058
_reflns_number_total             21934
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.34A (Bruker, 200?)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.795
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1449
_refine_ls_number_reflns         21934
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0615
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0810P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1478
_refine_ls_wR_factor_ref         0.1726
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: C1AA(0.5) C0AA(0.5)
 Fixed Uiso: H66(0.029) H126(0.032) H7(0.029) H12(0.032) H79(0.036) H82(0.032)
 H41(0.031) H65(0.033) H72(0.026) H1(0.031) H124(0.036) H96(0.031) H80(0.029)
 H67(0.038) H17(0.03) H38(0.041) H49(0.03) H120(0.034) H21(0.033) H13(0.035)
 H33(0.039) H59(0.034) H77(0.033) H9(0.027) H53(0.033) H14(0.038) H130(0.035)
 H114(0.034) H83(0.032) H15(0.03) H118(0.032) H74(0.027) H2(0.036) H108(0.034)
 H86(0.032) H111(0.035) H4(0.03) H121(0.035) H117(0.04) H55(0.038) H20(0.037)
 H46(0.038) H112(0.032) H50(0.037) H115(0.037) H69(0.033) H34(0.034)
 H100(0.033) H61(0.038) H37(0.035) H40(0.039) H110(0.042) H127(0.04) H39(0.047)
 H87(0.036) H22(0.038) H31(0.033) H58(0.037) H78(0.036) H35(0.032) H18(0.035)
 H47(0.036) H106(0.037) H109(0.04) H3(0.038) H85(0.037) H105(0.038) H102(0.036)
 H99(0.046) H43(0.037) H52(0.039) H97(0.037) H32(0.039) H45(0.04) H116(0.043)
 H64(0.038) H51(0.043) H98(0.044) H68(0.038) H129(0.044) H23(0.042) H91(0.049)
 H104(0.042) H88(0.04) H62(0.044) H128(0.046) H56(0.039) H57(0.041) H90(0.045)
 H29(0.046) H122(0.041) H44(0.047) H28(0.049) H123(0.042) H103(0.046)
 H94(0.043) H63(0.045) H25(0.045) H26(0.052) H92(0.058) H93(0.048) H27(0.056)
 Fixed X: H66(0.356817) H126(0.406541) H7(0.372564) H12(0.075637)
 H79(0.852661) H82(0.728379) H41(0.251646) H65(0.592781) H72(0.628045)
 H1(0.643851) H124(0.776288) H96(0.74904) H80(0.69687) H67(0.24993)
 H17(0.271256) H38(0.420925) H49(0.211596) H120(0.58581) H21(0.085788)
 H13(0.031044) H33(0.273981) H59(0.41496) H77(0.923641) H9(0.130987)
 H53(0.481699) H14(0.147389) H130(0.56258) H114(0.789102) H83(0.804367)
 H15(0.303354) H118(0.518339) H74(0.869391) H2(0.749888) H108(0.723564)
 H86(0.913239) H111(0.587927) H4(0.529061) H121(0.674158) H117(0.571204)
 H55(0.223361) H20(0.015441) H46(0.664993) H112(0.522531) H50(0.159724)
 H115(0.840258) H69(0.470787) H34(0.41161) H100(0.500428) H61(0.437861)
 H37(0.499976) H40(0.174645) H110(0.725712) H127(0.263044) H39(0.261842)
 H87(0.933812) H22(0.06639) H31(0.276241) H58(0.324727) H78(0.969735)
 H35(0.478059) H18(0.19586) H47(0.522825) H106(0.477967) H109(0.789036)
 H3(0.691179) H85(0.984733) H105(0.334864) H102(0.369373) H99(0.577374)
 H43(0.629478) H52(0.428407) H97(0.824329) H32(0.211798) H45(0.794915)
 H116(0.730452) H64(0.737145) H51(0.270053) H98(0.739291) H68(0.308385)
 H129(0.418597) H23(0.020211) H91(1.059325) H104(0.204768) H88(0.979343)
 H62(0.581148) H128(0.276682) H56(0.13219) H57(0.183895) H90(1.018113) H29(-
 0.003318) H122(0.816661) H44(0.77244) H28(-0.044114) H123(0.868001)
 H103(0.227336) H94(1.001113) H63(0.72232) H25(-0.016938) H26(-0.061578)
 H92(1.074694) H93(1.043481) H27(-0.070389)
 Fixed Y: H66(0.178138) H126(0.111388) H7(0.926077) H12(0.685452) H79(-
 0.03723) H82(0.506433) H41(0.613298) H65(0.61103) H72(0.426312) H1(0.678395)
 H124(0.095691) H96(0.112874) H80(-0.0013) H67(0.275489) H17(1.006536)
 H38(0.433933) H49(0.696201) H120(-0.028036) H21(0.920458) H13(0.556524)
 H33(0.935842) H59(0.470849) H77(0.185489) H9(0.807075) H53(0.753277)
 H14(0.462828) H130(0.096931) H114(0.196512) H83(0.625664) H15(0.499382)
 H118(0.253885) H74(0.30613) H2(0.775424) H108(0.207788) H86(0.420186)
 H111(0.43608) H4(0.906521) H121(-0.139176) H117(0.365617) H55(0.59513)
 H20(1.041321) H46(0.754276) H112(0.32245) H50(0.808526) H115(0.308418)
 H69(0.406828) H34(0.935981) H100(0.041198) H61(0.596887) H37(0.540024)
 H40(0.505225) H110(0.435741) H127(0.096808) H39(0.416302) H87(0.710851)
 H22(1.210544) H31(0.707947) H58(0.361499) H78(0.056309) H35(0.821994)
 H18(1.125616) H47(0.747932) H106(0.247349) H109(0.322049) H3(0.886402)
 H85(0.540725) H105(0.254201) H102(0.095669) H99(-0.067266) H43(0.595306)
 H52(0.865934) H97(0.00502) H32(0.821708) H45(0.679654) H116(0.396131)
 H64(0.596593) H51(0.89628) H98(-0.082937) H68(0.386626) H129(0.07988)
 H23(1.164514) H91(0.943329) H104(0.181347) H88(0.664822) H62(0.579736)
 H128(0.084824) H56(0.484862) H57(0.367432) H90(0.81992) H29(1.269182) H122(-
 0.132754) H44(0.602257) H28(1.393575) H123(-0.014898) H103(0.102079)
 H94(0.769447) H63(0.584387) H25(1.319757) H26(1.443171) H92(0.981349)
 H93(0.893414) H27(1.482168)
 Fixed Z: H66(0.741716) H126(0.825945) H7(0.70047) H12(0.723487) H79(0.765818)
 H82(0.732473) H41(0.851288) H65(0.674405) H72(0.798877) H1(0.758612)
 H124(0.936702) H96(0.648291) H80(0.753521) H67(0.766623) H17(0.768021)
 H38(0.962322) H49(0.608507) H120(0.843713) H21(0.646756) H13(0.724901)
 H33(0.917836) H59(0.656213) H77(0.777081) H9(0.720799) H53(0.570629)
 H14(0.734124) H130(0.976505) H114(0.891125) H83(0.739203) H15(0.745869)
 H118(0.928851) H74(0.778419) H2(0.732657) H108(0.578889) H86(0.85295)
 H111(0.641188) H4(0.684563) H121(0.861703) H117(0.970276) H55(0.562381)
 H20(0.636131) H46(1.006492) H112(0.669595) H50(0.565656) H115(0.933868)
 H69(0.815554) H34(0.857984) H100(0.578815) H61(0.523764) H37(0.920951)
 H40(0.890288) H110(0.582795) H127(0.882306) H39(0.944112) H87(0.784809)
 H22(0.714758) H31(0.920932) H58(0.638608) H78(0.775399) H35(0.83063)
 H18(0.76017) H47(0.958801) H106(0.540797) H109(0.55153) H3(0.689207)
 H85(0.864292) H105(0.492769) H102(0.658875) H99(0.538565) H43(0.841934)
 H52(0.529736) H97(0.610053) H32(0.948919) H45(0.972759) H116(0.973628)
 H64(0.617426) H51(0.526864) H98(0.555689) H68(0.811742) H129(1.032073)
 H23(0.601474) H91(0.823044) H104(0.526671) H88(0.89879) H62(0.467623)
 H128(0.984582) H56(0.546481) H57(0.586946) H90(0.799232) H29(0.526748)
 H122(0.91253) H44(0.890056) H28(0.502726) H123(0.954462) H103(0.608739)
 H94(0.973388) H63(0.515217) H25(0.700542) H26(0.677114) H92(0.921759)
 H93(0.997714) H27(0.578315)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.42084(3) 0.65359(2) 0.74146(2) 0.01919(12) Uani 1 1 d . . . . .
Ru2 Ru 0.57911(3) 0.15360(2) 0.75853(2) 0.01913(12) Uani 1 1 d . . . . .
Cl1 Cl 0.51100(9) 0.53541(7) 0.75706(5) 0.0255(3) Uani 1 1 d . . . . .
Cl2 Cl 0.48896(9) 0.03554(7) 0.74293(5) 0.0252(3) Uani 1 1 d . . . . .
P5 P 0.59606(10) 0.12735(7) 0.86366(5) 0.0213(3) Uani 1 1 d . . . . .
P4 P 0.56308(9) 0.16538(7) 0.65200(5) 0.0209(3) Uani 1 1 d . . . . .
P2 P 0.40403(9) 0.62746(7) 0.63636(5) 0.0209(3) Uani 1 1 d . . . . .
P1 P 0.43676(9) 0.66551(7) 0.84796(5) 0.0215(3) Uani 1 1 d . . . . .
P3 P -0.08456(12) 0.75469(11) 0.61718(7) 0.0509(5) Uani 1 1 d . . . . .
P6 P 0.08455(12) 1.25463(11) 0.88271(7) 0.0496(5) Uani 1 1 d . . . . .
N2 N 0.3461(3) 0.7468(2) 0.72779(16) 0.0221(10) Uani 1 1 d . . . . .
N4 N 0.7142(3) 0.1107(2) 0.76047(16) 0.0216(10) Uani 1 1 d . . . . .
N3 N 0.2846(3) 0.6108(2) 0.73922(16) 0.0208(10) Uani 1 1 d . . . . .
N5 N 0.6538(3) 0.2469(2) 0.77252(16) 0.0202(10) Uani 1 1 d . . . . .
N6 N 0.4715(3) 0.2339(2) 0.76467(17) 0.0226(10) Uani 1 1 d . . . . .
N1 N 0.5287(3) 0.7338(2) 0.73505(16) 0.0222(10) Uani 1 1 d . . . . .
F1 F -0.0927(3) 0.6783(2) 0.65381(18) 0.0733(13) Uani 1 1 d . . . . .
F9 F 0.0935(3) 1.1783(2) 0.84649(18) 0.0722(13) Uani 1 1 d . . . . .
F6 F -0.1908(3) 0.7749(3) 0.62241(18) 0.0755(13) Uani 1 1 d . . . . .
F11 F 0.1908(3) 1.2744(3) 0.87809(18) 0.0766(13) Uani 1 1 d . . . . .
F3 F -0.1201(3) 0.7121(3) 0.55706(17) 0.0824(14) Uani 1 1 d . . . . .
C76 C 0.7845(3) 0.1653(3) 0.7673(2) 0.0184(11) Uani 1 1 d . . . . .
F12 F -0.0227(3) 1.2342(4) 0.8880(2) 0.112(2) Uani 1 1 d . . . . .
F7 F 0.1196(3) 1.2121(3) 0.94284(17) 0.0823(14) Uani 1 1 d . . . . .
C48 C 0.3542(4) 0.7112(3) 0.5942(2) 0.0222(12) Uani 1 1 d . . . . .
C11 C 0.2153(3) 0.6653(3) 0.7331(2) 0.0213(12) Uani 1 1 d . . . . .
F4 F -0.0469(4) 0.7945(3) 0.6784(2) 0.0912(15) Uani 1 1 d . . . . .
C10 C 0.2505(4) 0.7435(3) 0.7274(2) 0.0209(12) Uani 1 1 d . . . . .
F5 F 0.0228(3) 0.7336(4) 0.6118(2) 0.113(2) Uani 1 1 d . . . . .
C81 C 0.8116(4) 0.4527(3) 0.7926(2) 0.0237(12) Uani 1 1 d . . . . .
C6 C 0.3897(4) 0.8124(3) 0.7159(2) 0.0227(12) Uani 1 1 d . . . . .
C66 C 0.3770(4) 0.2245(3) 0.7573(2) 0.0239(12) Uani 1 1 d . . . . .
H66 H 0.356817 0.178138 0.741716 0.029 Uiso 1 1 calc R . . . .
C126 C 0.4010(4) 0.1058(3) 0.8680(2) 0.0263(13) Uani 1 1 d . . . . .
H126 H 0.406541 0.111388 0.825945 0.032 Uiso 1 1 calc R . . . .
C7 C 0.3389(4) 0.8797(3) 0.7083(2) 0.0243(12) Uani 1 1 d . . . . .
H7 H 0.372564 0.926077 0.700470 0.029 Uiso 1 1 calc R . . . .
C16 C 0.1883(4) 0.9525(3) 0.7075(2) 0.0243(12) Uani 1 1 d . . . . .
F8 F 0.0477(4) 1.2945(3) 0.8215(2) 0.0922(16) Uani 1 1 d . . . . .
C101 C 0.4438(4) 0.1713(3) 0.6089(2) 0.0238(12) Uani 1 1 d . . . . .
C113 C 0.6460(4) 0.2106(3) 0.9059(2) 0.0212(12) Uani 1 1 d . . . . .
C42 C 0.5567(4) 0.6715(3) 0.8908(2) 0.0242(12) Uani 1 1 d . . . . .
C75 C 0.7496(4) 0.2439(3) 0.7726(2) 0.0216(12) Uani 1 1 d . . . . .
C71 C 0.6100(3) 0.3127(3) 0.7841(2) 0.0205(12) Uani 1 1 d . . . . .
C54 C 0.3285(4) 0.5445(3) 0.6133(2) 0.0238(12) Uani 1 1 d . . . . .
C12 C 0.1209(4) 0.6466(3) 0.7276(2) 0.0268(13) Uani 1 1 d . . . . .
H12 H 0.075637 0.685452 0.723487 0.032 Uiso 1 1 calc R . . . .
C119 C 0.6720(4) 0.0437(3) 0.8870(2) 0.0241(12) Uani 1 1 d . . . . .
C79 C 0.8363(4) 0.0152(3) 0.7656(2) 0.0301(14) Uani 1 1 d . . . . .
H79 H 0.852661 -0.037230 0.765818 0.036 Uiso 1 1 calc R . . . .
C107 C 0.6175(4) 0.2517(3) 0.6274(2) 0.0216(12) Uani 1 1 d . . . . .
C73 C 0.7588(4) 0.3800(3) 0.7883(2) 0.0229(12) Uani 1 1 d . . . . .
C125 C 0.4918(4) 0.1068(3) 0.8992(2) 0.0233(12) Uani 1 1 d . . . . .
C82 C 0.7767(4) 0.5138(3) 0.7569(2) 0.0269(13) Uani 1 1 d . . . . .
H82 H 0.728379 0.506433 0.732473 0.032 Uiso 1 1 calc R . . . .
C41 C 0.2826(4) 0.5768(3) 0.8728(2) 0.0255(13) Uani 1 1 d . . . . .
H41 H 0.251646 0.613298 0.851288 0.031 Uiso 1 1 calc R . . . .
C8 C 0.2421(4) 0.8794(3) 0.7119(2) 0.0250(13) Uani 1 1 d . . . . .
C84 C 0.8988(4) 0.5966(3) 0.8057(2) 0.0254(13) Uani 1 1 d . . . . .
C5 C 0.4931(4) 0.8036(3) 0.71628(19) 0.0213(12) Uani 1 1 d . . . . .
C65 C 0.5986(4) 0.6056(3) 0.6323(2) 0.0279(13) Uani 1 1 d . . . . .
H65 H 0.592781 0.611030 0.674405 0.033 Uiso 1 1 calc R . . . .
C72 C 0.6617(4) 0.3798(3) 0.7915(2) 0.0217(12) Uani 1 1 d . . . . .
H72 H 0.628045 0.426312 0.798877 0.026 Uiso 1 1 calc R . . . .
C1 C 0.6233(4) 0.7245(3) 0.7427(2) 0.0262(13) Uani 1 1 d . . . . .
H1 H 0.643851 0.678395 0.758612 0.031 Uiso 1 1 calc R . . . .
C124 C 0.7595(4) 0.0477(3) 0.9221(2) 0.0297(13) Uani 1 1 d . . . . .
H124 H 0.776288 0.095691 0.936702 0.036 Uiso 1 1 calc R . . . .
C96 C 0.7175(4) 0.0766(3) 0.6270(2) 0.0259(13) Uani 1 1 d . . . . .
H96 H 0.749040 0.112874 0.648291 0.031 Uiso 1 1 calc R . . . .
C80 C 0.7418(4) 0.0370(3) 0.7591(2) 0.0243(12) Uani 1 1 d . . . . .
H80 H 0.696870 -0.001300 0.753521 0.029 Uiso 1 1 calc R . . . .
C67 C 0.3148(4) 0.2798(3) 0.7720(2) 0.0317(14) Uani 1 1 d . . . . .
H67 H 0.249930 0.275489 0.766623 0.038 Uiso 1 1 calc R . . . .
C17 C 0.2232(4) 1.0140(3) 0.7433(2) 0.0248(12) Uani 1 1 d . . . . .
H17 H 0.271256 1.006536 0.768021 0.030 Uiso 1 1 calc R . . . .
C38 C 0.3910(4) 0.4699(3) 0.9397(2) 0.0343(14) Uani 1 1 d . . . . .
H38 H 0.420925 0.433933 0.962322 0.041 Uiso 1 1 calc R . . . .
C49 C 0.2588(4) 0.7312(3) 0.5917(2) 0.0254(12) Uani 1 1 d . . . . .
H49 H 0.211596 0.696201 0.608507 0.030 Uiso 1 1 calc R . . . .
C120 C 0.6395(4) -0.0258(3) 0.8644(2) 0.0280(13) Uani 1 1 d . . . . .
H120 H 0.585810 -0.028036 0.843713 0.034 Uiso 1 1 calc R . . . .
C21 C 0.1065(4) 0.9632(3) 0.6670(2) 0.0278(13) Uani 1 1 d . . . . .
H21 H 0.085788 0.920458 0.646756 0.033 Uiso 1 1 calc R . . . .
C36 C 0.3812(4) 0.5863(3) 0.8828(2) 0.0228(12) Uani 1 1 d . . . . .
C13 C 0.0946(4) 0.5706(3) 0.7284(2) 0.0290(13) Uani 1 1 d . . . . .
H13 H 0.031044 0.556524 0.724901 0.035 Uiso 1 1 calc R . . . .
C33 C 0.3058(4) 0.8900(3) 0.9050(2) 0.0321(14) Uani 1 1 d . . . . .
H33 H 0.273981 0.935842 0.917836 0.039 Uiso 1 1 calc R . . . .
C59 C 0.3611(4) 0.4740(3) 0.6357(2) 0.0286(13) Uani 1 1 d . . . . .
H59 H 0.414960 0.470849 0.656213 0.034 Uiso 1 1 calc R . . . .
C30 C 0.3810(4) 0.7519(3) 0.8725(2) 0.0220(12) Uani 1 1 d . . . . .
C60 C 0.5083(4) 0.6070(3) 0.6003(2) 0.0235(12) Uani 1 1 d . . . . .
C77 C 0.8788(4) 0.1466(3) 0.7728(2) 0.0273(13) Uani 1 1 d . . . . .
H77 H 0.923641 0.185489 0.777081 0.033 Uiso 1 1 calc R . . . .
C9 C 0.1979(4) 0.8102(3) 0.7200(2) 0.0227(12) Uani 1 1 d . . . . .
H9 H 0.130987 0.807075 0.720799 0.027 Uiso 1 1 calc R . . . .
C53 C 0.4155(4) 0.7616(3) 0.5711(2) 0.0277(13) Uani 1 1 d . . . . .
H53 H 0.481699 0.753277 0.570629 0.033 Uiso 1 1 calc R . . . .
C14 C 0.1635(4) 0.5152(3) 0.7343(2) 0.0316(14) Uani 1 1 d . . . . .
H14 H 0.147389 0.462828 0.734124 0.038 Uiso 1 1 calc R . . . .
C130 C 0.5038(4) 0.0967(3) 0.9610(2) 0.0292(13) Uani 1 1 d . . . . .
H130 H 0.562580 0.096931 0.976505 0.035 Uiso 1 1 calc R . . . .
C19 C 0.1013(4) 1.0971(3) 0.6944(2) 0.0290(13) Uani 1 1 d . . . . .
C114 C 0.7416(4) 0.2312(3) 0.9081(2) 0.0286(13) Uani 1 1 d . . . . .
H114 H 0.789102 0.196512 0.891125 0.034 Uiso 1 1 calc R . . . .
C83 C 0.8212(4) 0.5840(3) 0.7623(2) 0.0270(13) Uani 1 1 d . . . . .
H83 H 0.804367 0.625664 0.739203 0.032 Uiso 1 1 calc R . . . .
C15 C 0.2578(4) 0.5375(3) 0.7406(2) 0.0253(13) Uani 1 1 d . . . . .
H15 H 0.303354 0.499382 0.745869 0.030 Uiso 1 1 calc R . . . .
C118 C 0.5845(4) 0.2617(3) 0.9287(2) 0.0264(13) Uani 1 1 d . . . . .
H118 H 0.518339 0.253885 0.928851 0.032 Uiso 1 1 calc R . . . .
C74 C 0.8024(4) 0.3098(3) 0.7796(2) 0.0226(12) Uani 1 1 d . . . . .
H74 H 0.869391 0.306130 0.778419 0.027 Uiso 1 1 calc R . . . .
C2 C 0.6848(4) 0.7799(3) 0.7277(2) 0.0297(13) Uani 1 1 d . . . . .
H2 H 0.749888 0.775424 0.732657 0.036 Uiso 1 1 calc R . . . .
F10 F 0.0752(4) 1.3313(3) 0.9184(2) 0.114(2) Uani 1 1 d . . . . .
C108 C 0.6928(4) 0.2534(3) 0.5935(2) 0.0284(13) Uani 1 1 d . . . . .
H108 H 0.723564 0.207788 0.578889 0.034 Uiso 1 1 calc R . . . .
C86 C 0.8928(4) 0.4633(3) 0.8328(2) 0.0268(13) Uani 1 1 d . . . . .
H86 H 0.913239 0.420186 0.852950 0.032 Uiso 1 1 calc R . . . .
C111 C 0.6189(4) 0.3901(3) 0.6277(2) 0.0292(13) Uani 1 1 d . . . . .
H111 H 0.587927 0.436080 0.641188 0.035 Uiso 1 1 calc R . . . .
C4 C 0.5511(4) 0.8600(3) 0.6991(2) 0.0247(12) Uani 1 1 d . . . . .
H4 H 0.529061 0.906521 0.684563 0.030 Uiso 1 1 calc R . . . .
C121 C 0.6931(4) -0.0912(3) 0.8752(2) 0.0294(13) Uani 1 1 d . . . . .
H121 H 0.674158 -0.139176 0.861703 0.035 Uiso 1 1 calc R . . . .
C117 C 0.6183(4) 0.3302(3) 0.9538(2) 0.0336(14) Uani 1 1 d . . . . .
H117 H 0.571204 0.365617 0.970276 0.040 Uiso 1 1 calc R . . . .
C55 C 0.2405(4) 0.5475(3) 0.5777(2) 0.0314(14) Uani 1 1 d . . . . .
H55 H 0.223361 0.595130 0.562381 0.038 Uiso 1 1 calc R . . . .
C20 C 0.0641(4) 1.0340(3) 0.6604(2) 0.0304(13) Uani 1 1 d . . . . .
H20 H 0.015441 1.041321 0.636131 0.037 Uiso 1 1 calc R . . . .
C46 C 0.6641(4) 0.7209(3) 0.9736(2) 0.0318(14) Uani 1 1 d . . . . .
H46 H 0.664993 0.754276 1.006492 0.038 Uiso 1 1 calc R . . . .
C112 C 0.5814(4) 0.3219(3) 0.6438(2) 0.0266(13) Uani 1 1 d . . . . .
H112 H 0.522531 0.322450 0.669595 0.032 Uiso 1 1 calc R . . . .
C70 C 0.5066(4) 0.3037(3) 0.7838(2) 0.0228(12) Uani 1 1 d . . . . .
C50 C 0.2257(4) 0.8001(3) 0.5661(2) 0.0306(13) Uani 1 1 d . . . . .
H50 H 0.159724 0.808526 0.565656 0.037 Uiso 1 1 calc R . . . .
C115 C 0.7742(4) 0.3001(3) 0.9338(2) 0.0310(14) Uani 1 1 d . . . . .
H115 H 0.840258 0.308418 0.933868 0.037 Uiso 1 1 calc R . . . .
F2 F -0.0752(4) 0.8311(3) 0.5821(2) 0.116(2) Uani 1 1 d . . . . .
C69 C 0.4487(4) 0.3604(3) 0.8012(2) 0.0274(13) Uani 1 1 d . . . . .
H69 H 0.470787 0.406828 0.815554 0.033 Uiso 1 1 calc R . . . .
C34 C 0.3811(4) 0.8900(3) 0.8719(2) 0.0283(13) Uani 1 1 d . . . . .
H34 H 0.411610 0.935981 0.857984 0.034 Uiso 1 1 calc R . . . .
C95 C 0.6192(4) 0.0869(3) 0.6173(2) 0.0251(13) Uani 1 1 d . . . . .
C100 C 0.5648(4) 0.0313(3) 0.5834(2) 0.0276(13) Uani 1 1 d . . . . .
H100 H 0.500428 0.041198 0.578815 0.033 Uiso 1 1 calc R . . . .
C61 C 0.4968(4) 0.5967(3) 0.5391(2) 0.0318(14) Uani 1 1 d . . . . .
H61 H 0.437861 0.596887 0.523764 0.038 Uiso 1 1 calc R . . . .
C37 C 0.4354(4) 0.5310(3) 0.9166(2) 0.0294(13) Uani 1 1 d . . . . .
H37 H 0.499976 0.540024 0.920951 0.035 Uiso 1 1 calc R . . . .
C40 C 0.2388(4) 0.5151(3) 0.8952(2) 0.0324(14) Uani 1 1 d . . . . .
H40 H 0.174645 0.505225 0.890288 0.039 Uiso 1 1 calc R . . . .
C110 C 0.6939(4) 0.3898(3) 0.5953(2) 0.0350(15) Uani 1 1 d . . . . .
H110 H 0.725712 0.435741 0.582795 0.042 Uiso 1 1 calc R . . . .
C127 C 0.3220(4) 0.0977(3) 0.8975(2) 0.0331(14) Uani 1 1 d . . . . .
H127 H 0.263044 0.096808 0.882306 0.040 Uiso 1 1 calc R . . . .
C39 C 0.2940(4) 0.4609(3) 0.9287(2) 0.0391(16) Uani 1 1 d . . . . .
H39 H 0.261842 0.416302 0.944112 0.047 Uiso 1 1 calc R . . . .
C87 C 0.9354(4) 0.6751(3) 0.8161(2) 0.0301(14) Uani 1 1 d . . . . .
H87 H 0.933812 0.710851 0.784809 0.036 Uiso 1 1 calc R . . . .
C22 C 0.0647(4) 1.1746(3) 0.6836(2) 0.0314(14) Uani 1 1 d . . . . .
H22 H 0.066390 1.210544 0.714758 0.038 Uiso 1 1 calc R . . . .
C24 C -0.0036(4) 1.2804(3) 0.6169(2) 0.0319(14) Uani 1 1 d . . . . .
C31 C 0.3070(4) 0.7535(3) 0.9063(2) 0.0274(13) Uani 1 1 d . . . . .
H31 H 0.276241 0.707947 0.920932 0.033 Uiso 1 1 calc R . . . .
C58 C 0.3063(4) 0.4096(3) 0.6248(2) 0.0310(14) Uani 1 1 d . . . . .
H58 H 0.324727 0.361499 0.638608 0.037 Uiso 1 1 calc R . . . .
C78 C 0.9062(4) 0.0705(3) 0.7719(2) 0.0302(13) Uani 1 1 d . . . . .
H78 H 0.969735 0.056309 0.775399 0.036 Uiso 1 1 calc R . . . .
C35 C 0.4188(4) 0.8219(3) 0.8560(2) 0.0267(13) Uani 1 1 d . . . . .
H35 H 0.478059 0.821994 0.830630 0.032 Uiso 1 1 calc R . . . .
C18 C 0.1788(4) 1.0839(3) 0.7373(2) 0.0293(13) Uani 1 1 d . . . . .
H18 H 0.195860 1.125616 0.760170 0.035 Uiso 1 1 calc R . . . .
C47 C 0.5743(4) 0.7165(3) 0.9421(2) 0.0297(13) Uani 1 1 d . . . . .
H47 H 0.522825 0.747932 0.958801 0.036 Uiso 1 1 calc R . . . .
C106 C 0.4264(4) 0.2162(3) 0.5576(2) 0.0308(14) Uani 1 1 d . . . . .
H106 H 0.477967 0.247349 0.540797 0.037 Uiso 1 1 calc R . . . .
C109 C 0.7306(4) 0.3219(3) 0.5777(2) 0.0329(14) Uani 1 1 d . . . . .
H109 H 0.789036 0.322049 0.551530 0.040 Uiso 1 1 calc R . . . .
C3 C 0.6474(4) 0.8475(3) 0.7034(2) 0.0313(14) Uani 1 1 d . . . . .
H3 H 0.691179 0.886402 0.689207 0.038 Uiso 1 1 calc R . . . .
C85 C 0.9362(4) 0.5338(3) 0.8399(2) 0.0305(13) Uani 1 1 d . . . . .
H85 H 0.984733 0.540725 0.864292 0.037 Uiso 1 1 calc R . . . .
C105 C 0.3355(4) 0.2210(3) 0.5258(2) 0.0314(13) Uani 1 1 d . . . . .
H105 H 0.334864 0.254201 0.492769 0.038 Uiso 1 1 calc R . . . .
C102 C 0.3691(4) 0.1295(3) 0.6262(2) 0.0300(13) Uani 1 1 d . . . . .
H102 H 0.369373 0.095669 0.658875 0.036 Uiso 1 1 calc R . . . .
C99 C 0.6078(4) -0.0309(3) 0.5604(2) 0.0385(16) Uani 1 1 d . . . . .
H99 H 0.577374 -0.067266 0.538565 0.046 Uiso 1 1 calc R . . . .
C43 C 0.6303(4) 0.6297(3) 0.8742(2) 0.0309(14) Uani 1 1 d . . . . .
H43 H 0.629478 0.595306 0.841934 0.037 Uiso 1 1 calc R . . . .
C52 C 0.3815(4) 0.8304(3) 0.5461(2) 0.0326(14) Uani 1 1 d . . . . .
H52 H 0.428407 0.865934 0.529736 0.039 Uiso 1 1 calc R . . . .
C97 C 0.7603(4) 0.0153(3) 0.6050(2) 0.0307(13) Uani 1 1 d . . . . .
H97 H 0.824329 0.005020 0.610053 0.037 Uiso 1 1 calc R . . . .
C32 C 0.2699(4) 0.8216(3) 0.9223(2) 0.0323(14) Uani 1 1 d . . . . .
H32 H 0.211798 0.821708 0.948919 0.039 Uiso 1 1 calc R . . . .
C45 C 0.7377(4) 0.6797(3) 0.9555(2) 0.0335(14) Uani 1 1 d . . . . .
H45 H 0.794915 0.679654 0.972759 0.040 Uiso 1 1 calc R . . . .
C116 C 0.7128(4) 0.3499(3) 0.9565(2) 0.0356(15) Uani 1 1 d . . . . .
H116 H 0.730452 0.396131 0.973628 0.043 Uiso 1 1 calc R . . . .
C64 C 0.6779(4) 0.5975(3) 0.6025(2) 0.0313(14) Uani 1 1 d . . . . .
H64 H 0.737145 0.596593 0.617426 0.038 Uiso 1 1 calc R . . . .
C51 C 0.2877(4) 0.8498(3) 0.5437(2) 0.0362(15) Uani 1 1 d . . . . .
H51 H 0.270053 0.896280 0.526864 0.043 Uiso 1 1 calc R . . . .
C98 C 0.7061(4) -0.0388(3) 0.5714(2) 0.0371(15) Uani 1 1 d . . . . .
H98 H 0.739291 -0.082937 0.555689 0.044 Uiso 1 1 calc R . . . .
C68 C 0.3524(4) 0.3480(3) 0.7971(2) 0.0320(14) Uani 1 1 d . . . . .
H68 H 0.308385 0.386626 0.811742 0.038 Uiso 1 1 calc R . . . .
C129 C 0.4247(4) 0.0879(3) 0.9902(2) 0.0367(15) Uani 1 1 d . . . . .
H129 H 0.418597 0.079880 1.032073 0.044 Uiso 1 1 calc R . . . .
C23 C 0.0267(4) 1.2018(3) 0.6309(2) 0.0350(15) Uani 1 1 d . . . . .
H23 H 0.020211 1.164514 0.601474 0.042 Uiso 1 1 calc R . . . .
C89 C 1.0035(4) 0.7809(3) 0.8834(2) 0.0333(14) Uani 1 1 d . . . . .
C91 C 1.0475(4) 0.9070(3) 0.8543(3) 0.0407(16) Uani 1 1 d . . . . .
H91 H 1.059325 0.943329 0.823044 0.049 Uiso 1 1 calc R . . . .
C104 C 0.2621(4) 0.1806(3) 0.5438(2) 0.0348(14) Uani 1 1 d . . . . .
H104 H 0.204768 0.181347 0.526671 0.042 Uiso 1 1 calc R . . . .
C88 C 0.9732(4) 0.7022(3) 0.8693(2) 0.0336(14) Uani 1 1 d . . . . .
H88 H 0.979343 0.664822 0.898790 0.040 Uiso 1 1 calc R . . . .
C62 C 0.5752(4) 0.5877(3) 0.5095(2) 0.0366(15) Uani 1 1 d . . . . .
H62 H 0.581148 0.579736 0.467623 0.044 Uiso 1 1 calc R . . . .
C128 C 0.3346(4) 0.0899(3) 0.9582(2) 0.0383(16) Uani 1 1 d . . . . .
H128 H 0.276682 0.084824 0.984582 0.046 Uiso 1 1 calc R . . . .
C56 C 0.1856(4) 0.4826(3) 0.5674(2) 0.0328(14) Uani 1 1 d . . . . .
H56 H 0.132190 0.484862 0.546481 0.039 Uiso 1 1 calc R . . . .
C57 C 0.2179(4) 0.4130(3) 0.5915(2) 0.0340(15) Uani 1 1 d . . . . .
H57 H 0.183895 0.367432 0.586946 0.041 Uiso 1 1 calc R . . . .
C90 C 1.0221(4) 0.8331(3) 0.8395(3) 0.0376(15) Uani 1 1 d . . . . .
H90 H 1.018113 0.819920 0.799232 0.045 Uiso 1 1 calc R . . . .
C29 C -0.0140(4) 1.3055(3) 0.5580(3) 0.0381(15) Uani 1 1 d . . . . .
H29 H -0.003318 1.269182 0.526748 0.046 Uiso 1 1 calc R . . . .
C122 C 0.7821(4) -0.0872(3) 0.9083(2) 0.0341(15) Uani 1 1 d . . . . .
H122 H 0.816661 -0.132754 0.912530 0.041 Uiso 1 1 calc R . . . .
C44 C 0.7212(4) 0.6343(3) 0.9060(2) 0.0394(15) Uani 1 1 d . . . . .
H44 H 0.772440 0.602257 0.890056 0.047 Uiso 1 1 calc R . . . .
C28 C -0.0389(4) 1.3802(3) 0.5428(3) 0.0412(16) Uani 1 1 d . . . . .
H28 H -0.044114 1.393575 0.502726 0.049 Uiso 1 1 calc R . . . .
C123 C 0.8151(4) -0.0171(3) 0.9331(2) 0.0349(14) Uani 1 1 d . . . . .
H123 H 0.868001 -0.014898 0.954462 0.042 Uiso 1 1 calc R . . . .
C103 C 0.2784(4) 0.1345(3) 0.5934(2) 0.0379(15) Uani 1 1 d . . . . .
H103 H 0.227336 0.102079 0.608739 0.046 Uiso 1 1 calc R . . . .
C94 C 1.0130(4) 0.8056(3) 0.9421(3) 0.0359(15) Uani 1 1 d . . . . .
H94 H 1.001113 0.769447 0.973388 0.043 Uiso 1 1 calc R . . . .
C63 C 0.6644(4) 0.5896(3) 0.5416(2) 0.0377(16) Uani 1 1 d . . . . .
H63 H 0.722320 0.584387 0.515217 0.045 Uiso 1 1 calc R . . . .
C25 C -0.0217(4) 1.3328(3) 0.6603(3) 0.0379(15) Uani 1 1 d . . . . .
H25 H -0.016938 1.319757 0.700542 0.045 Uiso 1 1 calc R . . . .
C26 C -0.0479(4) 1.4072(3) 0.6458(3) 0.0437(16) Uani 1 1 d . . . . .
H26 H -0.061578 1.443171 0.677114 0.052 Uiso 1 1 calc R . . . .
C92 C 1.0566(4) 0.9308(3) 0.9138(3) 0.0483(18) Uani 1 1 d . . . . .
H92 H 1.074694 0.981349 0.921759 0.058 Uiso 1 1 calc R . . . .
C93 C 1.0389(4) 0.8802(3) 0.9575(3) 0.0401(15) Uani 1 1 d . . . . .
H93 H 1.043481 0.893414 0.997714 0.048 Uiso 1 1 calc R . . . .
C27 C -0.0548(4) 1.4311(3) 0.5865(3) 0.0465(18) Uani 1 1 d . . . . .
H27 H -0.070389 1.482168 0.578315 0.056 Uiso 1 1 calc R . . . .
Cl0A Cl 0.93482(15) 0.06301(12) 0.50186(8) 0.0721(6) Uani 1 1 d . . . . .
Cl1A Cl 0.06464(15) 0.56331(12) 0.99826(8) 0.0725(6) Uani 1 1 d . . . A 1
C1AA C 0.9501(9) -0.0334(7) 0.5016(5) 0.042(3) Uiso 0.5 1 d . . P . .
C0AA C 0.0495(10) 0.4667(7) 0.9996(6) 0.050(3) Uiso 0.5 1 d . . P . .


_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 Cl1 2.4902(13) . ?
Ru1 P2 2.4679(14) . ?
Ru1 P1 2.4621(14) . ?
Ru1 N2 1.999(4) . ?
Ru1 N3 2.085(4) . ?
Ru1 N1 2.075(4) . ?
Ru2 Cl2 2.4938(13) . ?
Ru2 P5 2.4681(14) . ?
Ru2 P4 2.4624(14) . ?
Ru2 N4 2.066(4) . ?
Ru2 N5 2.006(4) . ?
Ru2 N6 2.069(4) . ?
P5 C113 1.940(5) . ?
P5 C119 1.939(5) . ?
P5 C125 1.624(5) . ?
P4 C101 2.074(6) . ?
P4 C107 1.760(5) . ?
P4 C95 1.725(5) . ?
P2 C48 1.941(5) . ?
P2 C54 1.929(5) . ?
P2 C60 1.627(5) . ?
P1 C42 2.079(6) . ?
P1 C36 1.736(5) . ?
P1 C30 1.765(5) . ?
P3 F1 1.573(4) . ?
P3 F6 1.538(4) . ?
P3 F3 1.693(5) . ?
P3 F4 1.706(5) . ?
P3 F5 1.557(5) . ?
P3 F2 1.558(5) . ?
P6 F9 1.569(4) . ?
P6 F11 1.539(4) . ?
P6 F12 1.553(5) . ?
P6 F7 1.687(5) . ?
P6 F8 1.700(5) . ?
P6 F10 1.569(5) . ?
N2 C10 1.360(6) . ?
N2 C6 1.321(6) . ?
N4 C76 1.412(6) . ?
N4 C80 1.353(6) . ?
N3 C11 1.393(6) . ?
N3 C15 1.344(6) . ?
N5 C75 1.361(6) . ?
N5 C71 1.322(6) . ?
N6 C66 1.386(6) . ?
N6 C70 1.418(6) . ?
N1 C5 1.414(6) . ?
N1 C1 1.388(7) . ?
C76 C75 1.466(6) . ?
C76 C77 1.401(7) . ?
C48 C49 1.408(7) . ?
C48 C53 1.300(6) . ?
C11 C10 1.465(6) . ?
C11 C12 1.404(7) . ?
C10 C9 1.412(7) . ?
C81 C73 1.495(7) . ?
C81 C82 1.469(7) . ?
C81 C86 1.578(8) . ?
C6 C7 1.407(7) . ?
C6 C5 1.478(7) . ?
C66 H66 0.9500 . ?
C66 C67 1.324(7) . ?
C126 H126 0.9500 . ?
C126 C125 1.555(8) . ?
C126 C127 1.230(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.367(7) . ?
C16 C8 1.504(7) . ?
C16 C17 1.480(7) . ?
C16 C21 1.589(8) . ?
C101 C106 1.452(7) . ?
C101 C102 1.306(7) . ?
C113 C114 1.414(7) . ?
C113 C118 1.307(6) . ?
C42 C47 1.458(7) . ?
C42 C43 1.289(7) . ?
C75 C74 1.405(7) . ?
C71 C72 1.414(7) . ?
C71 C70 1.478(7) . ?
C54 C59 1.440(7) . ?
C54 C55 1.581(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.388(7) . ?
C119 C124 1.568(8) . ?
C119 C120 1.428(7) . ?
C79 H79 0.9500 . ?
C79 C80 1.423(7) . ?
C79 C78 1.413(7) . ?
C107 C108 1.225(6) . ?
C107 C112 1.367(7) . ?
C73 C72 1.371(7) . ?
C73 C74 1.381(6) . ?
C125 C130 1.443(7) . ?
C82 H82 0.9500 . ?
C82 C83 1.401(7) . ?
C41 H41 0.9500 . ?
C41 C36 1.459(7) . ?
C41 C40 1.316(7) . ?
C8 C9 1.371(7) . ?
C84 C83 1.593(8) . ?
C84 C87 1.507(7) . ?
C84 C85 1.487(7) . ?
C5 C4 1.314(6) . ?
C65 H65 0.9500 . ?
C65 C60 1.559(8) . ?
C65 C64 1.237(6) . ?
C72 H72 0.9500 . ?
C1 H1 0.9500 . ?
C1 C2 1.321(7) . ?
C124 H124 0.9500 . ?
C124 C123 1.428(7) . ?
C96 H96 0.9500 . ?
C96 C95 1.455(8) . ?
C96 C97 1.302(7) . ?
C80 H80 0.9500 . ?
C67 H67 0.9500 . ?
C67 C68 1.461(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.396(7) . ?
C38 H38 0.9500 . ?
C38 C37 1.318(7) . ?
C38 C39 1.443(8) . ?
C49 H49 0.9500 . ?
C49 C50 1.448(7) . ?
C120 H120 0.9500 . ?
C120 C121 1.419(7) . ?
C21 H21 0.9500 . ?
C21 C20 1.399(7) . ?
C36 C37 1.511(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.401(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.216(7) . ?
C33 C32 1.343(7) . ?
C59 H59 0.9500 . ?
C59 C58 1.418(7) . ?
C30 C31 1.211(6) . ?
C30 C35 1.374(7) . ?
C60 C61 1.431(7) . ?
C77 H77 0.9500 . ?
C77 C78 1.392(7) . ?
C9 H9 0.9500 . ?
C53 H53 0.9500 . ?
C53 C52 1.446(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.423(8) . ?
C130 H130 0.9500 . ?
C130 C129 1.230(7) . ?
C19 C20 1.491(8) . ?
C19 C22 1.490(7) . ?
C19 C18 1.585(8) . ?
C114 H114 0.9500 . ?
C114 C115 1.448(7) . ?
C83 H83 0.9500 . ?
C15 H15 0.9500 . ?
C118 H118 0.9500 . ?
C118 C117 1.444(8) . ?
C74 H74 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.441(7) . ?
C108 H108 0.9500 . ?
C108 C109 1.347(7) . ?
C86 H86 0.9500 . ?
C86 C85 1.406(7) . ?
C111 H111 0.9500 . ?
C111 C112 1.342(7) . ?
C111 C110 1.206(7) . ?
C4 H4 0.9500 . ?
C4 C3 1.402(8) . ?
C121 H121 0.9500 . ?
C121 C122 1.560(8) . ?
C117 H117 0.9500 . ?
C117 C116 1.398(8) . ?
C55 H55 0.9500 . ?
C55 C56 1.423(7) . ?
C20 H20 0.9500 . ?
C46 H46 0.9500 . ?
C46 C47 1.549(8) . ?
C46 C45 1.290(7) . ?
C112 H112 0.9500 . ?
C70 C69 1.316(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.293(7) . ?
C115 H115 0.9500 . ?
C115 C116 1.291(7) . ?
C69 H69 0.9500 . ?
C69 C68 1.402(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.340(7) . ?
C95 C100 1.522(7) . ?
C100 H100 0.9500 . ?
C100 C99 1.324(7) . ?
C61 H61 0.9500 . ?
C61 C62 1.226(7) . ?
C37 H37 0.9500 . ?
C40 H40 0.9500 . ?
C40 C39 1.504(8) . ?
C110 H110 0.9500 . ?
C110 C109 1.341(7) . ?
C127 H127 0.9500 . ?
C127 C128 1.416(8) . ?
C39 H39 0.9500 . ?
C87 H87 0.9500 . ?
C87 C88 1.466(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.457(8) . ?
C24 C23 1.494(7) . ?
C24 C29 1.429(8) . ?
C24 C25 1.346(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.338(7) . ?
C58 H58 0.9500 . ?
C58 C57 1.553(8) . ?
C78 H78 0.9500 . ?
C35 H35 0.9500 . ?
C18 H18 0.9500 . ?
C47 H47 0.9500 . ?
C106 H106 0.9500 . ?
C106 C105 1.566(8) . ?
C109 H109 0.9500 . ?
C3 H3 0.9500 . ?
C85 H85 0.9500 . ?
C105 H105 0.9500 . ?
C105 C104 1.281(7) . ?
C102 H102 0.9500 . ?
C102 C103 1.577(8) . ?
C99 H99 0.9500 . ?
C99 C98 1.459(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.567(8) . ?
C52 H52 0.9500 . ?
C52 C51 1.384(8) . ?
C97 H97 0.9500 . ?
C97 C98 1.497(8) . ?
C32 H32 0.9500 . ?
C45 H45 0.9500 . ?
C45 C44 1.423(8) . ?
C116 H116 0.9500 . ?
C64 H64 0.9500 . ?
C64 C63 1.424(8) . ?
C51 H51 0.9500 . ?
C98 H98 0.9500 . ?
C68 H68 0.9500 . ?
C129 H129 0.9500 . ?
C129 C128 1.557(9) . ?
C23 H23 0.9500 . ?
C89 C88 1.498(7) . ?
C89 C90 1.352(7) . ?
C89 C94 1.422(8) . ?
C91 H91 0.9500 . ?
C91 C90 1.403(8) . ?
C91 C92 1.436(9) . ?
C104 H104 0.9500 . ?
C104 C103 1.429(8) . ?
C88 H88 0.9500 . ?
C62 H62 0.9500 . ?
C62 C63 1.548(9) . ?
C128 H128 0.9500 . ?
C56 H56 0.9500 . ?
C56 C57 1.440(8) . ?
C57 H57 0.9500 . ?
C90 H90 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.415(8) . ?
C122 H122 0.9500 . ?
C122 C123 1.462(8) . ?
C44 H44 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.330(9) . ?
C123 H123 0.9500 . ?
C103 H103 0.9500 . ?
C94 H94 0.9500 . ?
C94 C93 1.421(8) . ?
C63 H63 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.412(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.421(9) . ?
C92 H92 0.9500 . ?
C92 C93 1.327(8) . ?
C93 H93 0.9500 . ?
C27 H27 0.9500 . ?
Cl0A C1AA 1.709(12) . ?
Cl0A C1AA 1.706(13) 2_756 ?
Cl1A C0AA 1.700(14) 2_567 ?
Cl1A C0AA 1.714(13) . ?
C1AA C1AA 1.84(2) 2_756 ?
C0AA C0AA 1.83(3) 2_567 ?

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
P2 Ru1 Cl1 95.85(4) . . ?
P1 Ru1 Cl1 79.23(4) . . ?
P1 Ru1 P2 174.14(4) . . ?
N2 Ru1 Cl1 178.45(13) . . ?
N2 Ru1 P2 83.04(11) . . ?
N2 Ru1 P1 101.82(11) . . ?
N2 Ru1 N3 77.19(16) . . ?
N2 Ru1 N1 80.45(17) . . ?
N3 Ru1 Cl1 101.46(11) . . ?
N3 Ru1 P2 72.07(10) . . ?
N3 Ru1 P1 105.61(10) . . ?
N1 Ru1 Cl1 100.88(12) . . ?
N1 Ru1 P2 103.38(11) . . ?
N1 Ru1 P1 80.82(11) . . ?
N1 Ru1 N3 157.55(16) . . ?
P5 Ru2 Cl2 95.94(4) . . ?
P4 Ru2 Cl2 79.04(4) . . ?
P4 Ru2 P5 174.03(4) . . ?
N4 Ru2 Cl2 101.36(11) . . ?
N4 Ru2 P5 72.24(11) . . ?
N4 Ru2 P4 105.39(11) . . ?
N4 Ru2 N6 157.69(16) . . ?
N5 Ru2 Cl2 178.39(13) . . ?
N5 Ru2 P5 82.77(11) . . ?
N5 Ru2 P4 102.18(11) . . ?
N5 Ru2 N4 77.34(16) . . ?
N5 Ru2 N6 80.41(16) . . ?
N6 Ru2 Cl2 100.86(12) . . ?
N6 Ru2 P5 103.49(11) . . ?
N6 Ru2 P4 80.79(11) . . ?
C113 P5 Ru2 115.26(14) . . ?
C113 P5 C119 100.5(2) . . ?
C119 P5 Ru2 122.47(14) . . ?
C125 P5 Ru2 108.3(2) . . ?
C125 P5 C113 107.2(2) . . ?
C125 P5 C119 101.5(2) . . ?
C101 P4 Ru2 131.25(13) . . ?
C107 P4 Ru2 106.49(17) . . ?
C107 P4 C101 99.3(2) . . ?
C95 P4 Ru2 106.17(18) . . ?
C95 P4 C101 100.4(2) . . ?
C95 P4 C107 113.1(2) . . ?
C48 P2 Ru1 115.03(15) . . ?
C54 P2 Ru1 122.45(14) . . ?
C54 P2 C48 100.7(2) . . ?
C60 P2 Ru1 108.6(2) . . ?
C60 P2 C48 106.9(2) . . ?
C60 P2 C54 101.5(2) . . ?
C42 P1 Ru1 130.96(13) . . ?
C36 P1 Ru1 106.07(17) . . ?
C36 P1 C42 100.4(2) . . ?
C36 P1 C30 113.1(2) . . ?
C30 P1 Ru1 106.45(17) . . ?
C30 P1 C42 99.7(2) . . ?
F1 P3 F3 92.1(3) . . ?
F1 P3 F4 86.1(2) . . ?
F6 P3 F1 99.0(2) . . ?
F6 P3 F3 76.3(2) . . ?
F6 P3 F4 105.1(3) . . ?
F6 P3 F5 179.6(4) . . ?
F6 P3 F2 81.6(3) . . ?
F3 P3 F4 177.9(3) . . ?
F5 P3 F1 80.7(2) . . ?
F5 P3 F3 103.5(3) . . ?
F5 P3 F4 75.2(3) . . ?
F2 P3 F1 178.6(3) . . ?
F2 P3 F3 89.3(3) . . ?
F2 P3 F4 92.6(3) . . ?
F2 P3 F5 98.7(3) . . ?
F9 P6 F7 91.8(3) . . ?
F9 P6 F8 86.4(2) . . ?
F11 P6 F9 98.8(2) . . ?
F11 P6 F12 179.4(3) . . ?
F11 P6 F7 76.0(2) . . ?
F11 P6 F8 105.3(3) . . ?
F11 P6 F10 81.4(3) . . ?
F12 P6 F9 81.2(3) . . ?
F12 P6 F7 103.5(3) . . ?
F12 P6 F8 75.3(3) . . ?
F12 P6 F10 98.7(3) . . ?
F7 P6 F8 178.0(3) . . ?
F10 P6 F9 179.5(3) . . ?
F10 P6 F7 88.7(3) . . ?
F10 P6 F8 93.0(3) . . ?
C10 N2 Ru1 121.2(3) . . ?
C6 N2 Ru1 120.3(4) . . ?
C6 N2 C10 118.5(4) . . ?
C76 N4 Ru2 115.4(3) . . ?
C80 N4 Ru2 127.9(3) . . ?
C80 N4 C76 116.6(4) . . ?
C11 N3 Ru1 115.2(3) . . ?
C15 N3 Ru1 127.5(3) . . ?
C15 N3 C11 117.3(4) . . ?
C75 N5 Ru2 121.4(3) . . ?
C71 N5 Ru2 120.2(3) . . ?
C71 N5 C75 118.3(4) . . ?
C66 N6 Ru2 128.9(3) . . ?
C66 N6 C70 122.0(4) . . ?
C70 N6 Ru2 108.8(3) . . ?
C5 N1 Ru1 108.7(3) . . ?
C1 N1 Ru1 129.1(3) . . ?
C1 N1 C5 122.0(4) . . ?
N4 C76 C75 114.5(4) . . ?
C77 C76 N4 123.5(4) . . ?
C77 C76 C75 121.9(5) . . ?
C49 C48 P2 128.9(3) . . ?
C53 C48 P2 116.4(4) . . ?
C53 C48 C49 114.1(5) . . ?
N3 C11 C10 114.6(4) . . ?
N3 C11 C12 123.0(4) . . ?
C12 C11 C10 122.2(5) . . ?
N2 C10 C11 111.7(4) . . ?
N2 C10 C9 120.7(4) . . ?
C9 C10 C11 127.6(5) . . ?
C73 C81 C86 123.6(4) . . ?
C82 C81 C73 112.3(5) . . ?
C82 C81 C86 124.0(4) . . ?
N2 C6 C7 121.8(5) . . ?
N2 C6 C5 110.3(4) . . ?
C7 C6 C5 127.9(4) . . ?
N6 C66 H66 119.9 . . ?
C67 C66 N6 120.3(5) . . ?
C67 C66 H66 119.9 . . ?
C125 C126 H126 119.8 . . ?
C127 C126 H126 119.8 . . ?
C127 C126 C125 120.4(5) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 121.1(5) . . ?
C8 C7 H7 119.5 . . ?
C8 C16 C21 123.9(4) . . ?
C17 C16 C8 112.1(5) . . ?
C17 C16 C21 124.0(4) . . ?
C106 C101 P4 130.1(4) . . ?
C102 C101 P4 121.0(4) . . ?
C102 C101 C106 108.9(5) . . ?
C114 C113 P5 129.3(4) . . ?
C118 C113 P5 116.4(4) . . ?
C118 C113 C114 113.6(5) . . ?
C47 C42 P1 130.1(4) . . ?
C43 C42 P1 121.3(4) . . ?
C43 C42 C47 108.6(5) . . ?
N5 C75 C76 111.2(4) . . ?
N5 C75 C74 121.3(4) . . ?
C74 C75 C76 127.5(5) . . ?
N5 C71 C72 121.2(5) . . ?
N5 C71 C70 110.1(4) . . ?
C72 C71 C70 128.7(4) . . ?
C59 C54 P2 109.7(4) . . ?
C59 C54 C55 121.6(4) . . ?
C55 C54 P2 128.6(4) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 C11 119.0(5) . . ?
C13 C12 H12 120.5 . . ?
C124 C119 P5 127.8(4) . . ?
C120 C119 P5 109.3(4) . . ?
C120 C119 C124 122.8(5) . . ?
C80 C79 H79 119.6 . . ?
C78 C79 H79 119.6 . . ?
C78 C79 C80 120.8(5) . . ?
C108 C107 P4 121.7(4) . . ?
C108 C107 C112 114.1(5) . . ?
C112 C107 P4 124.2(4) . . ?
C72 C73 C81 120.7(4) . . ?
C72 C73 C74 115.5(5) . . ?
C74 C73 C81 123.8(5) . . ?
C126 C125 P5 122.3(3) . . ?
C130 C125 P5 106.4(4) . . ?
C130 C125 C126 131.1(4) . . ?
C81 C82 H82 123.1 . . ?
C83 C82 C81 113.9(5) . . ?
C83 C82 H82 123.1 . . ?
C36 C41 H41 121.7 . . ?
C40 C41 H41 121.7 . . ?
C40 C41 C36 116.7(5) . . ?
C7 C8 C16 120.5(4) . . ?
C7 C8 C9 116.8(5) . . ?
C9 C8 C16 122.7(5) . . ?
C87 C84 C83 120.7(4) . . ?
C85 C84 C83 123.0(4) . . ?
C85 C84 C87 116.2(5) . . ?
N1 C5 C6 119.2(4) . . ?
C4 C5 N1 120.6(5) . . ?
C4 C5 C6 120.2(5) . . ?
C60 C65 H65 120.2 . . ?
C64 C65 H65 120.2 . . ?
C64 C65 C60 119.6(5) . . ?
C71 C72 H72 118.9 . . ?
C73 C72 C71 122.2(5) . . ?
C73 C72 H72 118.9 . . ?
N1 C1 H1 120.0 . . ?
C2 C1 N1 120.0(5) . . ?
C2 C1 H1 120.0 . . ?
C119 C124 H124 118.4 . . ?
C123 C124 C119 123.3(5) . . ?
C123 C124 H124 118.4 . . ?
C95 C96 H96 121.6 . . ?
C97 C96 H96 121.6 . . ?
C97 C96 C95 116.7(5) . . ?
N4 C80 C79 122.0(5) . . ?
N4 C80 H80 119.0 . . ?
C79 C80 H80 119.0 . . ?
C66 C67 H67 122.2 . . ?
C66 C67 C68 115.7(5) . . ?
C68 C67 H67 122.2 . . ?
C16 C17 H17 123.2 . . ?
C18 C17 C16 113.5(5) . . ?
C18 C17 H17 123.2 . . ?
C37 C38 H38 122.0 . . ?
C37 C38 C39 116.0(5) . . ?
C39 C38 H38 122.0 . . ?
C48 C49 H49 116.9 . . ?
C48 C49 C50 126.3(5) . . ?
C50 C49 H49 116.9 . . ?
C119 C120 H120 122.5 . . ?
C121 C120 C119 115.1(5) . . ?
C121 C120 H120 122.5 . . ?
C16 C21 H21 119.1 . . ?
C20 C21 C16 121.7(5) . . ?
C20 C21 H21 119.1 . . ?
C41 C36 P1 114.1(4) . . ?
C41 C36 C37 124.9(4) . . ?
C37 C36 P1 120.9(4) . . ?
C12 C13 H13 120.7 . . ?
C12 C13 C14 118.7(5) . . ?
C14 C13 H13 120.7 . . ?
C34 C33 H33 121.7 . . ?
C34 C33 C32 116.6(5) . . ?
C32 C33 H33 121.7 . . ?
C54 C59 H59 122.7 . . ?
C58 C59 C54 114.5(5) . . ?
C58 C59 H59 122.7 . . ?
C31 C30 P1 121.9(4) . . ?
C31 C30 C35 115.0(5) . . ?
C35 C30 P1 123.1(4) . . ?
C65 C60 P2 121.4(4) . . ?
C61 C60 P2 107.1(4) . . ?
C61 C60 C65 131.5(4) . . ?
C76 C77 H77 120.3 . . ?
C78 C77 C76 119.4(5) . . ?
C78 C77 H77 120.3 . . ?
C10 C9 H9 119.6 . . ?
C8 C9 C10 120.9(5) . . ?
C8 C9 H9 119.6 . . ?
C48 C53 H53 120.4 . . ?
C48 C53 C52 119.1(5) . . ?
C52 C53 H53 120.4 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.8(5) . . ?
C15 C14 H14 120.1 . . ?
C125 C130 H130 125.9 . . ?
C129 C130 C125 108.1(6) . . ?
C129 C130 H130 125.9 . . ?
C20 C19 C18 122.4(5) . . ?
C22 C19 C20 116.1(5) . . ?
C22 C19 C18 121.4(5) . . ?
C113 C114 H114 116.8 . . ?
C113 C114 C115 126.4(5) . . ?
C115 C114 H114 116.8 . . ?
C82 C83 C84 122.6(5) . . ?
C82 C83 H83 118.7 . . ?
C84 C83 H83 118.7 . . ?
N3 C15 C14 122.1(5) . . ?
N3 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
C113 C118 H118 120.4 . . ?
C113 C118 C117 119.3(5) . . ?
C117 C118 H118 120.4 . . ?
C75 C74 H74 119.4 . . ?
C73 C74 C75 121.3(5) . . ?
C73 C74 H74 119.4 . . ?
C1 C2 H2 121.9 . . ?
C1 C2 C3 116.1(5) . . ?
C3 C2 H2 121.9 . . ?
C107 C108 H108 121.0 . . ?
C107 C108 C109 117.9(5) . . ?
C109 C108 H108 121.0 . . ?
C81 C86 H86 118.7 . . ?
C85 C86 C81 122.7(5) . . ?
C85 C86 H86 118.7 . . ?
C112 C111 H111 121.8 . . ?
C110 C111 H111 121.8 . . ?
C110 C111 C112 116.4(5) . . ?
C5 C4 H4 122.0 . . ?
C5 C4 C3 116.1(5) . . ?
C3 C4 H4 122.0 . . ?
C120 C121 H121 118.8 . . ?
C120 C121 C122 122.4(5) . . ?
C122 C121 H121 118.8 . . ?
C118 C117 H117 116.5 . . ?
C116 C117 C118 126.9(5) . . ?
C116 C117 H117 116.5 . . ?
C54 C55 H55 118.3 . . ?
C56 C55 C54 123.3(5) . . ?
C56 C55 H55 118.3 . . ?
C21 C20 C19 114.8(5) . . ?
C21 C20 H20 122.6 . . ?
C19 C20 H20 122.6 . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C45 C46 C47 120.5(5) . . ?
C107 C112 H112 116.1 . . ?
C111 C112 C107 127.9(5) . . ?
C111 C112 H112 116.1 . . ?
N6 C70 C71 119.3(4) . . ?
C69 C70 N6 121.0(5) . . ?
C69 C70 C71 119.7(5) . . ?
C49 C50 H50 120.6 . . ?
C51 C50 C49 118.7(6) . . ?
C51 C50 H50 120.6 . . ?
C114 C115 H115 120.3 . . ?
C116 C115 C114 119.4(5) . . ?
C116 C115 H115 120.3 . . ?
C70 C69 H69 122.1 . . ?
C70 C69 C68 115.8(5) . . ?
C68 C69 H69 122.1 . . ?
C33 C34 H34 121.7 . . ?
C33 C34 C35 116.5(5) . . ?
C35 C34 H34 121.7 . . ?
C96 C95 P4 114.9(4) . . ?
C96 C95 C100 124.3(4) . . ?
C100 C95 P4 120.6(4) . . ?
C95 C100 H100 120.3 . . ?
C99 C100 C95 119.4(5) . . ?
C99 C100 H100 120.3 . . ?
C60 C61 H61 125.5 . . ?
C62 C61 C60 109.0(6) . . ?
C62 C61 H61 125.5 . . ?
C38 C37 C36 118.4(5) . . ?
C38 C37 H37 120.8 . . ?
C36 C37 H37 120.8 . . ?
C41 C40 H40 121.2 . . ?
C41 C40 C39 117.6(5) . . ?
C39 C40 H40 121.2 . . ?
C111 C110 H110 121.4 . . ?
C111 C110 C109 117.1(5) . . ?
C109 C110 H110 121.4 . . ?
C126 C127 H127 126.0 . . ?
C126 C127 C128 107.9(6) . . ?
C128 C127 H127 126.0 . . ?
C38 C39 C40 126.5(5) . . ?
C38 C39 H39 116.7 . . ?
C40 C39 H39 116.7 . . ?
C84 C87 H87 116.4 . . ?
C88 C87 C84 127.1(5) . . ?
C88 C87 H87 116.4 . . ?
C19 C22 H22 116.2 . . ?
C23 C22 C19 127.6(5) . . ?
C23 C22 H22 116.2 . . ?
C29 C24 C23 123.5(5) . . ?
C25 C24 C23 120.6(5) . . ?
C25 C24 C29 115.9(5) . . ?
C30 C31 H31 121.1 . . ?
C30 C31 C32 117.7(5) . . ?
C32 C31 H31 121.1 . . ?
C59 C58 H58 118.1 . . ?
C59 C58 C57 123.8(5) . . ?
C57 C58 H58 118.1 . . ?
C79 C78 H78 121.1 . . ?
C77 C78 C79 117.8(5) . . ?
C77 C78 H78 121.1 . . ?
C30 C35 H35 116.5 . . ?
C34 C35 C30 127.1(5) . . ?
C34 C35 H35 116.5 . . ?
C17 C18 C19 123.3(5) . . ?
C17 C18 H18 118.3 . . ?
C19 C18 H18 118.3 . . ?
C42 C47 C46 129.8(5) . . ?
C42 C47 H47 115.1 . . ?
C46 C47 H47 115.1 . . ?
C101 C106 H106 115.2 . . ?
C101 C106 C105 129.7(5) . . ?
C105 C106 H106 115.2 . . ?
C108 C109 H109 116.8 . . ?
C110 C109 C108 126.5(5) . . ?
C110 C109 H109 116.8 . . ?
C2 C3 H3 117.6 . . ?
C4 C3 C2 124.7(5) . . ?
C4 C3 H3 117.6 . . ?
C84 C85 H85 123.2 . . ?
C86 C85 C84 113.6(5) . . ?
C86 C85 H85 123.2 . . ?
C106 C105 H105 119.6 . . ?
C104 C105 C106 120.9(5) . . ?
C104 C105 H105 119.6 . . ?
C101 C102 H102 119.6 . . ?
C101 C102 C103 120.8(5) . . ?
C103 C102 H102 119.6 . . ?
C100 C99 H99 122.9 . . ?
C100 C99 C98 114.2(5) . . ?
C98 C99 H99 122.9 . . ?
C42 C43 H43 119.3 . . ?
C42 C43 C44 121.5(5) . . ?
C44 C43 H43 119.3 . . ?
C53 C52 H52 116.7 . . ?
C51 C52 C53 126.6(5) . . ?
C51 C52 H52 116.7 . . ?
C96 C97 H97 120.8 . . ?
C96 C97 C98 118.5(5) . . ?
C98 C97 H97 120.8 . . ?
C33 C32 H32 116.4 . . ?
C31 C32 C33 127.1(5) . . ?
C31 C32 H32 116.4 . . ?
C46 C45 H45 124.8 . . ?
C46 C45 C44 110.4(6) . . ?
C44 C45 H45 124.8 . . ?
C117 C116 H116 122.8 . . ?
C115 C116 C117 114.3(5) . . ?
C115 C116 H116 122.8 . . ?
C65 C64 H64 126.2 . . ?
C65 C64 C63 107.6(6) . . ?
C63 C64 H64 126.2 . . ?
C50 C51 C52 115.2(5) . . ?
C50 C51 H51 122.4 . . ?
C52 C51 H51 122.4 . . ?
C99 C98 C97 126.9(5) . . ?
C99 C98 H98 116.6 . . ?
C97 C98 H98 116.6 . . ?
C67 C68 H68 117.7 . . ?
C69 C68 C67 124.7(5) . . ?
C69 C68 H68 117.7 . . ?
C130 C129 H129 120.1 . . ?
C130 C129 C128 119.8(5) . . ?
C128 C129 H129 120.1 . . ?
C22 C23 C24 128.8(5) . . ?
C22 C23 H23 115.6 . . ?
C24 C23 H23 115.6 . . ?
C90 C89 C88 120.1(5) . . ?
C90 C89 C94 116.3(5) . . ?
C94 C89 C88 123.5(5) . . ?
C90 C91 H91 118.1 . . ?
C90 C91 C92 123.8(6) . . ?
C92 C91 H91 118.1 . . ?
C105 C104 H104 124.8 . . ?
C105 C104 C103 110.4(6) . . ?
C103 C104 H104 124.8 . . ?
C87 C88 C89 128.9(5) . . ?
C87 C88 H88 115.5 . . ?
C89 C88 H88 115.5 . . ?
C61 C62 H62 120.6 . . ?
C61 C62 C63 118.8(5) . . ?
C63 C62 H62 120.6 . . ?
C127 C128 C129 132.6(4) . . ?
C127 C128 H128 113.7 . . ?
C129 C128 H128 113.7 . . ?
C55 C56 H56 122.9 . . ?
C55 C56 C57 114.2(5) . . ?
C57 C56 H56 122.9 . . ?
C58 C57 H57 118.7 . . ?
C56 C57 C58 122.5(5) . . ?
C56 C57 H57 118.7 . . ?
C89 C90 C91 119.0(6) . . ?
C89 C90 H90 120.5 . . ?
C91 C90 H90 120.5 . . ?
C24 C29 H29 117.5 . . ?
C28 C29 C24 125.0(6) . . ?
C28 C29 H29 117.5 . . ?
C121 C122 H122 118.3 . . ?
C123 C122 C121 123.4(5) . . ?
C123 C122 H122 118.3 . . ?
C43 C44 H44 115.5 . . ?
C45 C44 C43 129.1(5) . . ?
C45 C44 H44 115.5 . . ?
C29 C28 H28 121.1 . . ?
C27 C28 C29 117.8(6) . . ?
C27 C28 H28 121.1 . . ?
C124 C123 C122 113.0(5) . . ?
C124 C123 H123 123.5 . . ?
C122 C123 H123 123.5 . . ?
C102 C103 H103 115.3 . . ?
C104 C103 C102 129.3(5) . . ?
C104 C103 H103 115.3 . . ?
C89 C94 H94 117.4 . . ?
C93 C94 C89 125.2(5) . . ?
C93 C94 H94 117.4 . . ?
C64 C63 C62 133.4(5) . . ?
C64 C63 H63 113.3 . . ?
C62 C63 H63 113.3 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.6(6) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 118.4 . . ?
C25 C26 C27 123.2(6) . . ?
C27 C26 H26 118.4 . . ?
C91 C92 H92 121.0 . . ?
C93 C92 C91 118.1(6) . . ?
C93 C92 H92 121.0 . . ?
C94 C93 H93 121.2 . . ?
C92 C93 C94 117.6(6) . . ?
C92 C93 H93 121.2 . . ?
C28 C27 C26 118.5(6) . . ?
C28 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
C1AA Cl0A C1AA 65.1(7) 2_756 . ?
C0AA Cl1A C0AA 64.7(8) 2_567 . ?
Cl0A C1AA Cl0A 115.0(7) 2_756 . ?
Cl0A C1AA C1AA 57.4(6) . 2_756 ?
Cl0A C1AA C1AA 57.6(7) 2_756 2_756 ?
Cl1A C0AA Cl1A 115.3(7) 2_567 . ?
Cl1A C0AA C0AA 58.0(7) 2_567 2_567 ?
Cl1A C0AA C0AA 57.3(7) . 2_567 ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT330_Complex_1           
;
PROBLEM: Large Average Phenyl C-C Dist C42 -C47 1.43 Ang.Large Average Phenyl C-C Dist C54 -C59 1.47 Ang. Large Average Phenyl C-C Dist C101 -C106 1.44 Ang. Large Average Phenyl C-C Dist C119 -C124 1.47 Ang.
RESPONSE: These are due to disorder in atom positions in PPh3 ligands. 
No ambiguity in modelling the atoms. Multiple attempts were made to 
grow better diffracting crystals. 
;
_vrf_PLAT331_Complex_1           
;
PROBLEM: Small Average Phenyl C-C Dist C30 -C35 1.30 Ang. Small Average Phenyl C-C Dist C107 -C112 1.31 Ang.
RESPONSE: These are due to disorder in atom positions in PPh3 ligands. 
No ambiguity in modelling the atoms. Multiple attempts were made 
to grow better diffracting crystals. 
;
# end Validation Reply Form
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM and hexanes'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex_3prime
_database_code_depnum_ccdc_archive 'CCDC 1828217'
_audit_update_record             
;
2018-03-07 deposited with the CCDC.
2018-06-29 downloaded from the CCDC.
;
_audit_creation_date             2018-03-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C102 H76 Cl2 N6 P2 Ru2, 2(F6 P)'
_chemical_formula_sum            'C102 H76 Cl2 F12 N6 P4 Ru2'
_chemical_formula_weight         2010.60
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.293(4)
_cell_length_b                   13.425(4)
_cell_length_c                   14.198(4)
_cell_angle_alpha                91.251(9)
_cell_angle_beta                 95.993(9)
_cell_angle_gamma                115.779(8)
_cell_volume                     2262.7(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    1936
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.87
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.541
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.519699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2004/1 (Bruker,2004) was used for absorption correction.
R(int) was 0.0939 before and 0.0540 after correction.
The Ratio of minimum to maximum transmission is 0.5197.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1432
_diffrn_reflns_av_unetI/netI     0.1694
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26317
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.090
_diffrn_reflns_theta_max         25.090
_diffrn_reflns_theta_min         1.446
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3607
_reflns_number_total             7861
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.34A (Bruker, 200?)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.271
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         7861
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2014
_refine_ls_R_factor_gt           0.0991
_refine_ls_restrained_S_all      0.968
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1730P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2395
_refine_ls_wR_factor_ref         0.3068
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H9(0.062) H4(0.064) H21(0.079) H1(0.064) H2(0.075) H3(0.071)
 H47(0.082) H7(0.063) H18(0.072) H15(0.071) H39(0.073) H36(0.09) H51(0.078)
 H49(0.088) H17(0.072) H37(0.098) H35(0.089) H14(0.079) H38(0.095) H20(0.085)
 H41(0.087) H12(0.076) H50(0.085) H42(0.109) H13(0.083) H32(0.096) H27(0.095)
 H25(0.104) H43(0.108) H31(0.11) H48(0.095) H44(0.117) H26(0.108) H45(0.11)
 H23(0.104) H22(0.093) H30(0.117) H29(0.098)
 Fixed X: H9(0.291992) H4(0.486908) H21(0.288047) H1(0.659517) H2(0.66821)
 H3(0.579981) H47(0.919243) H7(0.385836) H18(0.11259) H15(0.55826)
 H39(0.754537) H36(0.579364) H51(0.79043) H49(1.101191) H17(0.217326)
 H37(0.637841) H35(0.609953) H14(0.482853) H38(0.714773) H20(0.187637)
 H41(0.773125) H12(0.324831) H50(0.95543) H42(0.847589) H13(0.365569)
 H32(0.006955) H27(-0.176042) H25(0.011575) H43(0.879038) H31(-0.079361)
 H48(1.086317) H44(0.846379) H26(-0.093718) H45(0.766637) H23(0.108057)
 H22(0.028727) H30(-0.1947) H29(-0.210932)
 Fixed Y: H9(0.625124) H4(1.105409) H21(0.561475) H1(1.217219) H2(1.347203)
 H3(1.29047) H47(1.029732) H7(0.917574) H18(0.717785) H15(0.796043)
 H39(1.047587) H36(0.665801) H51(1.159183) H49(1.340569) H17(0.816439)
 H37(0.792255) H35(0.728876) H14(0.605981) H38(0.978718) H20(0.463785)
 H41(0.762154) H12(0.550099) H50(1.321078) H42(0.668891) H13(0.480073)
 H32(0.216687) H27(0.217173) H25(0.499595) H43(0.716522) H31(0.024397)
 H48(1.191788) H44(0.860609) H26(0.407836) H45(0.950622) H23(0.396127)
 H22(0.551092) H30(-0.067161) H29(0.040809)
 Fixed Z: H9(0.259827) H4(0.406982) H21(0.405426) H1(0.137818) H2(0.248422)
 H3(0.38829) H47(0.308392) H7(0.410172) H18(0.585596) H15(-0.061881)
 H39(0.375806) H36(0.410392) H51(0.105877) H49(0.239805) H17(0.468178)
 H37(0.541133) H35(0.260664) H14(-0.100357) H38(0.523047) H20(0.524448)
 H41(0.218225) H12(0.132306) H50(0.123347) H42(0.125729) H13(-0.006681)
 H32(0.618079) H27(0.931837) H25(0.819835) H43(-0.028404) H31(0.615189)
 H48(0.327385) H44(-0.088489) H26(0.939412) H45(0.001406) H23(0.63872)
 H22(0.670409) H30(0.728968) H29(0.854271)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.54748(7) 0.94936(8) 0.11174(6) 0.0503(4) Uani 1 1 d . . . . .
Cl1 Cl 0.3771(2) 0.9562(2) 0.02983(18) 0.0499(7) Uani 1 1 d . . . . .
P1 P 0.7090(2) 0.9468(2) 0.1837(2) 0.0499(8) Uani 1 1 d . . . . .
P2 P 0.3867(3) 0.3942(3) 0.2987(3) 0.0651(9) Uani 1 1 d . . . . .
F6 F 0.4629(6) 0.4087(6) 0.3967(6) 0.094(2) Uani 1 1 d . . . . .
F5 F 0.3106(6) 0.3800(6) 0.2000(5) 0.094(2) Uani 1 1 d . . . . .
N2 N 0.4605(7) 0.8734(7) 0.2129(6) 0.046(2) Uani 1 1 d . . . . .
F4 F 0.4129(8) 0.5212(7) 0.3117(6) 0.107(3) Uani 1 1 d . . . . .
N1 N 0.5706(7) 1.0848(8) 0.2028(6) 0.048(2) Uani 1 1 d . . . . .
N3 N 0.4889(7) 0.7861(8) 0.0581(6) 0.056(2) Uani 1 1 d . . . . .
F3 F 0.3613(9) 0.2714(7) 0.2876(7) 0.136(4) Uani 1 1 d . . . . .
F2 F 0.4958(7) 0.4316(8) 0.2500(6) 0.121(3) Uani 1 1 d . . . . .
C9 C 0.3356(9) 0.7033(9) 0.2688(7) 0.051(3) Uani 1 1 d . . . . .
H9 H 0.291992 0.625124 0.259827 0.062 Uiso 1 1 calc R . . . .
C10 C 0.4028(9) 0.7607(9) 0.2018(7) 0.050(3) Uani 1 1 d . . . . .
C5 C 0.5164(9) 1.0511(10) 0.2835(8) 0.051(3) Uani 1 1 d . . . . .
C6 C 0.4528(9) 0.9319(10) 0.2869(7) 0.049(3) Uani 1 1 d . . . . .
C4 C 0.5224(9) 1.1294(9) 0.3515(8) 0.053(3) Uani 1 1 d . . . . .
H4 H 0.486908 1.105409 0.406982 0.064 Uiso 1 1 calc R . . . .
C11 C 0.4188(9) 0.7090(10) 0.1144(7) 0.050(3) Uani 1 1 d . . . . .
F1 F 0.2789(7) 0.3629(9) 0.3544(7) 0.134(4) Uani 1 1 d . . . . .
C8 C 0.3329(9) 0.7622(9) 0.3501(8) 0.051(3) Uani 1 1 d . . . . .
C16 C 0.2645(10) 0.6991(9) 0.4246(8) 0.058(3) Uani 1 1 d . . . . .
C21 C 0.2532(10) 0.5942(9) 0.4425(8) 0.066(3) Uani 1 1 d . . . . .
H21 H 0.288047 0.561475 0.405426 0.079 Uiso 1 1 calc R . . . .
C1 C 0.6238(9) 1.1932(10) 0.1931(8) 0.054(3) Uani 1 1 d . . . . .
H1 H 0.659517 1.217219 0.137818 0.064 Uiso 1 1 calc R . . . .
C2 C 0.6292(10) 1.2706(10) 0.2582(9) 0.062(3) Uani 1 1 d . . . . .
H2 H 0.668210 1.347203 0.248422 0.075 Uiso 1 1 calc R . . . .
C46 C 0.8375(10) 1.0782(11) 0.2061(8) 0.062(3) Uani 1 1 d . . . . .
C34 C 0.6901(10) 0.8950(10) 0.3023(8) 0.057(3) Uani 1 1 d . . . . .
C3 C 0.5766(10) 1.2373(10) 0.3413(8) 0.060(3) Uani 1 1 d . . . . .
H3 H 0.579981 1.290470 0.388290 0.071 Uiso 1 1 calc R . . . .
C47 C 0.9261(11) 1.0895(11) 0.2708(9) 0.068(3) Uani 1 1 d . . . . .
H47 H 0.919243 1.029732 0.308392 0.082 Uiso 1 1 calc R . . . .
C7 C 0.3900(9) 0.8764(10) 0.3566(7) 0.052(3) Uani 1 1 d . . . . .
H7 H 0.385836 0.917574 0.410172 0.063 Uiso 1 1 calc R . . . .
C18 C 0.1487(9) 0.6856(10) 0.5494(8) 0.060(3) Uani 1 1 d . . . . .
H18 H 0.112590 0.717785 0.585596 0.072 Uiso 1 1 calc R . . . .
C15 C 0.5110(10) 0.7460(11) -0.0213(8) 0.060(3) Uani 1 1 d . . . . .
H15 H 0.558260 0.796043 -0.061881 0.071 Uiso 1 1 calc R . . . .
C39 C 0.7195(10) 0.9699(10) 0.3818(8) 0.061(3) Uani 1 1 d . . . . .
H39 H 0.754537 1.047587 0.375806 0.073 Uiso 1 1 calc R . . . .
C36 C 0.6154(11) 0.7431(12) 0.4027(10) 0.075(4) Uani 1 1 d . . . . .
H36 H 0.579364 0.665801 0.410392 0.090 Uiso 1 1 calc R . . . .
C51 C 0.8508(10) 1.1660(11) 0.1519(9) 0.065(3) Uani 1 1 d . . . . .
H51 H 0.790430 1.159183 0.105877 0.078 Uiso 1 1 calc R . . . .
C40 C 0.7638(9) 0.8667(10) 0.1198(7) 0.056(3) Uani 1 1 d . . . . .
C49 C 1.0345(11) 1.2727(12) 0.2298(10) 0.073(4) Uani 1 1 d . . . . .
H49 H 1.101191 1.340569 0.239805 0.088 Uiso 1 1 calc R . . . .
C17 C 0.2111(9) 0.7445(10) 0.4791(8) 0.060(3) Uani 1 1 d . . . . .
H17 H 0.217326 0.816439 0.468178 0.072 Uiso 1 1 calc R . . . .
C37 C 0.6485(12) 0.8179(13) 0.4794(11) 0.082(4) Uani 1 1 d . . . . .
H37 H 0.637841 0.792255 0.541133 0.098 Uiso 1 1 calc R . . . .
C35 C 0.6345(11) 0.7807(12) 0.3145(9) 0.074(4) Uani 1 1 d . . . . .
H35 H 0.609953 0.728876 0.260664 0.089 Uiso 1 1 calc R . . . .
C14 C 0.4652(11) 0.6319(11) -0.0445(8) 0.066(3) Uani 1 1 d . . . . .
H14 H 0.482853 0.605981 -0.100357 0.079 Uiso 1 1 calc R . . . .
C38 C 0.6965(12) 0.9285(13) 0.4688(9) 0.079(4) Uani 1 1 d . . . . .
H38 H 0.714773 0.978718 0.523047 0.095 Uiso 1 1 calc R . . . .
C20 C 0.1927(11) 0.5351(10) 0.5129(8) 0.071(4) Uani 1 1 d . . . . .
H20 H 0.187637 0.463785 0.524448 0.085 Uiso 1 1 calc R . . . .
C41 C 0.7873(11) 0.7822(11) 0.1555(9) 0.073(4) Uani 1 1 d . . . . .
H41 H 0.773125 0.762154 0.218225 0.087 Uiso 1 1 calc R . . . .
C19 C 0.1386(10) 0.5819(10) 0.5671(8) 0.065(3) Uani 1 1 d . . . . .
C12 C 0.3733(10) 0.5997(11) 0.0922(8) 0.063(3) Uani 1 1 d . . . . .
H12 H 0.324831 0.550099 0.132306 0.076 Uiso 1 1 calc R . . . .
C50 C 0.9478(11) 1.2621(11) 0.1622(9) 0.070(4) Uani 1 1 d . . . . .
H50 H 0.955430 1.321078 0.123347 0.085 Uiso 1 1 calc R . . . .
C42 C 0.8314(13) 0.7260(12) 0.1005(11) 0.091(4) Uani 1 1 d . . . . .
H42 H 0.847589 0.668891 0.125729 0.109 Uiso 1 1 calc R . . . .
C13 C 0.3967(11) 0.5576(11) 0.0098(9) 0.069(3) Uani 1 1 d . . . . .
H13 H 0.365569 0.480073 -0.006681 0.083 Uiso 1 1 calc R . . . .
C32 C -0.0383(11) 0.1816(14) 0.6661(10) 0.080(4) Uani 1 1 d . . . . .
H32 H 0.006955 0.216687 0.618079 0.096 Uiso 1 1 calc R . . . .
C28 C -0.1221(11) 0.1895(13) 0.8082(11) 0.076(4) Uani 1 1 d . . . . .
C27 C -0.1330(11) 0.2542(13) 0.8831(10) 0.079(4) Uani 1 1 d . . . . .
H27 H -0.176042 0.217173 0.931837 0.095 Uiso 1 1 calc R . . . .
C25 C -0.0213(12) 0.4209(13) 0.8175(10) 0.087(4) Uani 1 1 d . . . . .
H25 H 0.011575 0.499595 0.819835 0.104 Uiso 1 1 calc R . . . .
C43 C 0.8508(12) 0.7550(13) 0.0099(11) 0.090(5) Uani 1 1 d . . . . .
H43 H 0.879038 0.716522 -0.028404 0.108 Uiso 1 1 calc R . . . .
C31 C -0.0904(13) 0.0664(14) 0.6643(12) 0.091(5) Uani 1 1 d . . . . .
H31 H -0.079361 0.024397 0.615189 0.110 Uiso 1 1 calc R . . . .
C48 C 1.0251(11) 1.1857(13) 0.2828(10) 0.079(4) Uani 1 1 d . . . . .
H48 H 1.086317 1.191788 0.327385 0.095 Uiso 1 1 calc R . . . .
C44 C 0.8297(12) 0.8395(14) -0.0264(10) 0.097(5) Uani 1 1 d . . . . .
H44 H 0.846379 0.860609 -0.088489 0.117 Uiso 1 1 calc R . . . .
C26 C -0.0845(12) 0.3669(14) 0.8883(10) 0.090(4) Uani 1 1 d . . . . .
H26 H -0.093718 0.407836 0.939412 0.108 Uiso 1 1 calc R . . . .
C33 C -0.0520(12) 0.2481(13) 0.7396(10) 0.078(4) Uani 1 1 d . . . . .
C45 C 0.7839(11) 0.8946(13) 0.0277(10) 0.092(5) Uani 1 1 d . . . . .
H45 H 0.766637 0.950622 0.001406 0.110 Uiso 1 1 calc R . . . .
C24 C -0.0047(11) 0.3625(13) 0.7425(10) 0.080(4) Uani 1 1 d . . . . .
C23 C 0.0653(12) 0.4265(13) 0.6678(10) 0.087(4) Uani 1 1 d . . . . .
H23 H 0.108057 0.396127 0.638720 0.104 Uiso 1 1 calc R . . . .
C22 C 0.0708(11) 0.5203(12) 0.6409(9) 0.078(4) Uani 1 1 d . . . . .
H22 H 0.028727 0.551092 0.670409 0.093 Uiso 1 1 calc R . . . .
C30 C -0.1575(13) 0.0116(14) 0.7317(12) 0.097(5) Uani 1 1 d . . . . .
H30 H -0.194700 -0.067161 0.728968 0.117 Uiso 1 1 calc R . . . .
C29 C -0.1687(12) 0.0770(13) 0.8049(10) 0.082(4) Uani 1 1 d . . . . .
H29 H -0.210932 0.040809 0.854271 0.098 Uiso 1 1 calc R . . . .


_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 Cl1 2.475(3) . ?
Ru1 Cl1 2.466(3) 2_675 ?
Ru1 P1 2.294(3) . ?
Ru1 N2 1.956(8) . ?
Ru1 N1 2.098(9) . ?
Ru1 N3 2.076(10) . ?
P1 C46 1.837(14) . ?
P1 C34 1.836(11) . ?
P1 C40 1.813(11) . ?
P2 F6 1.588(8) . ?
P2 F5 1.597(8) . ?
P2 F4 1.586(8) . ?
P2 F3 1.533(9) . ?
P2 F2 1.556(8) . ?
P2 F1 1.607(9) . ?
N2 C10 1.363(13) . ?
N2 C6 1.337(12) . ?
N1 C5 1.396(13) . ?
N1 C1 1.331(13) . ?
N3 C11 1.390(13) . ?
N3 C15 1.353(13) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(14) . ?
C9 C8 1.397(14) . ?
C10 C11 1.487(14) . ?
C5 C6 1.453(15) . ?
C5 C4 1.383(14) . ?
C6 C7 1.377(14) . ?
C4 H4 0.9500 . ?
C4 C3 1.327(15) . ?
C11 C12 1.337(15) . ?
C8 C16 1.493(14) . ?
C8 C7 1.380(14) . ?
C16 C21 1.383(15) . ?
C16 C17 1.394(15) . ?
C21 H21 0.9500 . ?
C21 C20 1.386(15) . ?
C1 H1 0.9500 . ?
C1 C2 1.348(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.415(16) . ?
C46 C47 1.366(16) . ?
C46 C51 1.378(15) . ?
C34 C39 1.397(15) . ?
C34 C35 1.408(16) . ?
C3 H3 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.376(16) . ?
C7 H7 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.397(15) . ?
C18 C19 1.371(15) . ?
C15 H15 0.9500 . ?
C15 C14 1.397(15) . ?
C39 H39 0.9500 . ?
C39 C38 1.375(16) . ?
C36 H36 0.9500 . ?
C36 C37 1.362(18) . ?
C36 C35 1.367(17) . ?
C51 H51 0.9500 . ?
C51 C50 1.362(16) . ?
C40 C41 1.392(15) . ?
C40 C45 1.389(17) . ?
C49 H49 0.9500 . ?
C49 C50 1.375(17) . ?
C49 C48 1.369(17) . ?
C17 H17 0.9500 . ?
C37 H37 0.9500 . ?
C37 C38 1.356(18) . ?
C35 H35 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.344(16) . ?
C38 H38 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.411(16) . ?
C41 H41 0.9500 . ?
C41 C42 1.407(17) . ?
C19 C22 1.476(16) . ?
C12 H12 0.9500 . ?
C12 C13 1.410(16) . ?
C50 H50 0.9500 . ?
C42 H42 0.9500 . ?
C42 C43 1.37(2) . ?
C13 H13 0.9500 . ?
C32 H32 0.9500 . ?
C32 C31 1.391(18) . ?
C32 C33 1.436(19) . ?
C28 C27 1.418(19) . ?
C28 C33 1.421(18) . ?
C28 C29 1.358(18) . ?
C27 H27 0.9500 . ?
C27 C26 1.360(18) . ?
C25 H25 0.9500 . ?
C25 C26 1.386(18) . ?
C25 C24 1.399(19) . ?
C43 H43 0.9500 . ?
C43 C44 1.379(19) . ?
C31 H31 0.9500 . ?
C31 C30 1.37(2) . ?
C48 H48 0.9500 . ?
C44 H44 0.9500 . ?
C44 C45 1.405(17) . ?
C26 H26 0.9500 . ?
C33 C24 1.381(18) . ?
C45 H45 0.9500 . ?
C24 C23 1.510(18) . ?
C23 H23 0.9500 . ?
C23 C22 1.298(17) . ?
C22 H22 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.407(19) . ?
C29 H29 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
Cl1 Ru1 Cl1 79.86(9) 2_675 . ?
P1 Ru1 Cl1 177.98(10) . . ?
P1 Ru1 Cl1 98.13(10) . 2_675 ?
N2 Ru1 Cl1 89.2(2) . . ?
N2 Ru1 Cl1 169.1(2) . 2_675 ?
N2 Ru1 P1 92.8(3) . . ?
N2 Ru1 N1 79.1(3) . . ?
N2 Ru1 N3 80.5(3) . . ?
N1 Ru1 Cl1 88.5(2) . . ?
N1 Ru1 Cl1 100.8(2) . 2_675 ?
N1 Ru1 P1 91.6(2) . . ?
N3 Ru1 Cl1 99.0(3) . 2_675 ?
N3 Ru1 Cl1 90.1(2) . . ?
N3 Ru1 P1 90.4(2) . . ?
N3 Ru1 N1 159.5(3) . . ?
Ru1 Cl1 Ru1 100.15(9) 2_675 . ?
C46 P1 Ru1 118.6(4) . . ?
C34 P1 Ru1 111.1(4) . . ?
C34 P1 C46 103.1(6) . . ?
C40 P1 Ru1 116.2(4) . . ?
C40 P1 C46 99.0(5) . . ?
C40 P1 C34 107.3(5) . . ?
F6 P2 F5 179.8(6) . . ?
F6 P2 F1 89.8(5) . . ?
F5 P2 F1 90.4(5) . . ?
F4 P2 F6 89.1(4) . . ?
F4 P2 F5 90.8(4) . . ?
F4 P2 F1 89.4(5) . . ?
F3 P2 F6 90.2(5) . . ?
F3 P2 F5 89.8(5) . . ?
F3 P2 F4 179.2(5) . . ?
F3 P2 F2 92.8(6) . . ?
F3 P2 F1 90.1(6) . . ?
F2 P2 F6 87.4(5) . . ?
F2 P2 F5 92.3(5) . . ?
F2 P2 F4 87.6(5) . . ?
F2 P2 F1 176.0(6) . . ?
C10 N2 Ru1 117.8(7) . . ?
C6 N2 Ru1 120.2(7) . . ?
C6 N2 C10 121.8(9) . . ?
C5 N1 Ru1 111.9(7) . . ?
C1 N1 Ru1 130.4(7) . . ?
C1 N1 C5 117.6(9) . . ?
C11 N3 Ru1 113.7(7) . . ?
C15 N3 Ru1 129.3(8) . . ?
C15 N3 C11 117.1(10) . . ?
C10 C9 H9 120.6 . . ?
C10 C9 C8 118.8(10) . . ?
C8 C9 H9 120.6 . . ?
N2 C10 C9 120.2(9) . . ?
N2 C10 C11 114.8(9) . . ?
C9 C10 C11 125.0(10) . . ?
N1 C5 C6 115.3(9) . . ?
C4 C5 N1 120.0(10) . . ?
C4 C5 C6 124.7(10) . . ?
N2 C6 C5 113.4(9) . . ?
N2 C6 C7 119.1(10) . . ?
C7 C6 C5 127.5(10) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 C5 121.6(10) . . ?
C3 C4 H4 119.2 . . ?
N3 C11 C10 113.1(10) . . ?
C12 C11 N3 122.6(10) . . ?
C12 C11 C10 124.2(10) . . ?
C9 C8 C16 118.6(10) . . ?
C7 C8 C9 118.6(10) . . ?
C7 C8 C16 122.7(10) . . ?
C21 C16 C8 121.0(10) . . ?
C21 C16 C17 117.8(10) . . ?
C17 C16 C8 121.2(10) . . ?
C16 C21 H21 118.9 . . ?
C16 C21 C20 122.1(11) . . ?
C20 C21 H21 118.9 . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.1(11) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.2 . . ?
C1 C2 C3 119.7(11) . . ?
C3 C2 H2 120.2 . . ?
C47 C46 P1 121.6(9) . . ?
C47 C46 C51 117.8(12) . . ?
C51 C46 P1 120.3(10) . . ?
C39 C34 P1 119.7(9) . . ?
C39 C34 C35 118.5(11) . . ?
C35 C34 P1 121.4(9) . . ?
C4 C3 C2 118.0(11) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C46 C47 H47 119.3 . . ?
C46 C47 C48 121.4(13) . . ?
C48 C47 H47 119.3 . . ?
C6 C7 C8 121.2(10) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C19 C18 C17 121.0(11) . . ?
N3 C15 H15 119.6 . . ?
N3 C15 C14 120.8(11) . . ?
C14 C15 H15 119.6 . . ?
C34 C39 H39 120.8 . . ?
C38 C39 C34 118.5(12) . . ?
C38 C39 H39 120.8 . . ?
C37 C36 H36 120.4 . . ?
C37 C36 C35 119.2(13) . . ?
C35 C36 H36 120.4 . . ?
C46 C51 H51 119.0 . . ?
C50 C51 C46 122.0(12) . . ?
C50 C51 H51 119.0 . . ?
C41 C40 P1 125.6(9) . . ?
C45 C40 P1 115.5(9) . . ?
C45 C40 C41 118.8(11) . . ?
C50 C49 H49 119.9 . . ?
C48 C49 H49 119.9 . . ?
C48 C49 C50 120.3(13) . . ?
C16 C17 C18 120.8(11) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C36 C37 H37 119.6 . . ?
C38 C37 C36 120.8(13) . . ?
C38 C37 H37 119.6 . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121.0(13) . . ?
C36 C35 H35 119.5 . . ?
C15 C14 H14 119.0 . . ?
C13 C14 C15 122.0(12) . . ?
C13 C14 H14 119.0 . . ?
C39 C38 H38 119.1 . . ?
C37 C38 C39 121.8(13) . . ?
C37 C38 H38 119.1 . . ?
C21 C20 H20 120.3 . . ?
C21 C20 C19 119.5(11) . . ?
C19 C20 H20 120.3 . . ?
C40 C41 H41 119.4 . . ?
C40 C41 C42 121.3(12) . . ?
C42 C41 H41 119.4 . . ?
C18 C19 C20 118.8(10) . . ?
C18 C19 C22 120.1(12) . . ?
C20 C19 C22 121.0(12) . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.5(11) . . ?
C13 C12 H12 119.8 . . ?
C51 C50 C49 119.1(13) . . ?
C51 C50 H50 120.5 . . ?
C49 C50 H50 120.5 . . ?
C41 C42 H42 120.5 . . ?
C43 C42 C41 118.9(14) . . ?
C43 C42 H42 120.5 . . ?
C14 C13 C12 117.0(12) . . ?
C14 C13 H13 121.5 . . ?
C12 C13 H13 121.5 . . ?
C31 C32 H32 119.6 . . ?
C31 C32 C33 120.9(13) . . ?
C33 C32 H32 119.6 . . ?
C27 C28 C33 116.8(13) . . ?
C29 C28 C27 122.3(13) . . ?
C29 C28 C33 120.7(15) . . ?
C28 C27 H27 118.6 . . ?
C26 C27 C28 122.8(13) . . ?
C26 C27 H27 118.6 . . ?
C26 C25 H25 119.1 . . ?
C26 C25 C24 121.8(15) . . ?
C24 C25 H25 119.1 . . ?
C42 C43 H43 119.6 . . ?
C42 C43 C44 120.7(13) . . ?
C44 C43 H43 119.6 . . ?
C32 C31 H31 119.1 . . ?
C30 C31 C32 121.8(16) . . ?
C30 C31 H31 119.1 . . ?
C47 C48 H48 120.3 . . ?
C49 C48 C47 119.4(13) . . ?
C49 C48 H48 120.3 . . ?
C43 C44 H44 119.8 . . ?
C43 C44 C45 120.5(14) . . ?
C45 C44 H44 119.8 . . ?
C27 C26 C25 118.6(15) . . ?
C27 C26 H26 120.7 . . ?
C25 C26 H26 120.7 . . ?
C28 C33 C32 116.2(14) . . ?
C24 C33 C32 122.8(13) . . ?
C24 C33 C28 120.9(14) . . ?
C40 C45 C44 119.7(13) . . ?
C40 C45 H45 120.2 . . ?
C44 C45 H45 120.2 . . ?
C25 C24 C23 119.1(14) . . ?
C33 C24 C25 119.0(13) . . ?
C33 C24 C23 122.0(14) . . ?
C24 C23 H23 117.9 . . ?
C22 C23 C24 124.1(14) . . ?
C22 C23 H23 117.9 . . ?
C19 C22 H22 118.1 . . ?
C23 C22 C19 123.9(13) . . ?
C23 C22 H22 118.1 . . ?
C31 C30 H30 121.4 . . ?
C31 C30 C29 117.2(15) . . ?
C29 C30 H30 121.4 . . ?
C28 C29 C30 123.1(15) . . ?
C28 C29 H29 118.5 . . ?
C30 C29 H29 118.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM and hexanes'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex_1prime
_database_code_depnum_ccdc_archive 'CCDC 1828214'
_audit_update_record             
;
2018-03-07 deposited with the CCDC.
2018-06-29 downloaded from the CCDC.
;
_audit_creation_date             2018-03-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H72 Cl2 N6 P2 Ru2, 2(F6 P)'
_chemical_formula_sum            'C94 H72 Cl2 F12 N6 P4 Ru2'
_chemical_formula_weight         1910.49
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.050(2)
_cell_length_b                   13.456(2)
_cell_length_c                   15.248(2)
_cell_angle_alpha                70.943(4)
_cell_angle_beta                 68.971(4)
_cell_angle_gamma                61.317(4)
_cell_volume                     2153.3(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2842
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.019
_cell_measurement_theta_min      2.485
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.557389
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2004/1 (Bruker,2004) was used for absorption correction.
R(int) was 0.1100 before and 0.0511 after correction.
The Ratio of minimum to maximum transmission is 0.5574.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   SADABS
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2286
_diffrn_reflns_av_unetI/netI     0.3320
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25533
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.705
_diffrn_reflns_theta_min         1.457
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4294
_reflns_number_total             8665
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.34A (Bruker, 200?)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         4.243
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.203
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         8665
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2263
_refine_ls_R_factor_gt           0.1079
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1750P)²+2.3430P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2849
_refine_ls_wR_factor_ref         0.3584
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C35(H35), C31(H31), C12(H12), C7(H7), C25(H25), C9(H9), C13(H13), C37(H37),
 C15(H15), C43(H43), C22(H22), C2(H2), C39(H39), C3(H3), C38(H38), C47(H47),
 C44(H44), C1(H1), C14(H14), C40(H40), C41(H41), C32(H32), C26(H26), C4(H4),
 C28(H28), C34(H34), C46(H46), C27(H27), C23(H23), C29(H29), C21(H21), C20(H20),
  C45(H45), C33(H33), C17(H17), C18(H18)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.42755(7) 0.92708(8) 0.11374(6) 0.0261(3) Uani 1 1 d . . . . .
Cl1 Cl 0.3699(2) 1.0731(2) -0.02750(18) 0.0281(6) Uani 1 1 d . . . . .
P1 P 0.2427(2) 0.9254(2) 0.19222(19) 0.0255(7) Uani 1 1 d . . . . .
P2 P 0.4858(3) 0.3740(3) 0.3201(3) 0.0489(10) Uani 1 1 d . . . . .
F1 F 0.5041(7) 0.2857(8) 0.4173(6) 0.064(2) Uani 1 1 d . . . . .
F5 F 0.5437(7) 0.2683(7) 0.2674(6) 0.060(2) Uani 1 1 d . . . . .
F4 F 0.3560(7) 0.3804(7) 0.3404(6) 0.060(2) Uani 1 1 d . . . . .
N3 N 0.4047(7) 1.0228(8) 0.2098(6) 0.027(2) Uani 1 1 d . . . . .
N2 N 0.5113(8) 0.8037(8) 0.2066(6) 0.031(2) Uani 1 1 d . . . . .
N1 N 0.4814(7) 0.7887(8) 0.0524(6) 0.028(2) Uani 1 1 d . . . . .
F2 F 0.4677(10) 0.4604(8) 0.2195(8) 0.100(4) Uani 1 1 d . . . . .
F3 F 0.6189(7) 0.3664(8) 0.2983(8) 0.083(3) Uani 1 1 d . . . . .
C10 C 0.5266(9) 0.8274(10) 0.2798(7) 0.029(2) Uani 1 1 d . . . . .
C36 C 0.1065(9) 1.0606(9) 0.1859(8) 0.028(2) Uani 1 1 d . . . . .
F6 F 0.4312(9) 0.4809(9) 0.3681(10) 0.106(4) Uani 1 1 d . . . . .
C5 C 0.5536(10) 0.6859(9) 0.0996(8) 0.030(3) Uani 1 1 d . . . . .
C35 C 0.3002(10) 0.7632(11) 0.3563(8) 0.035(3) Uani 1 1 d . . . . .
H35 H 0.344946 0.708609 0.315006 0.041 Uiso 1 1 calc R . . . .
C42 C 0.2074(9) 0.8346(10) 0.1500(8) 0.031(3) Uani 1 1 d . . . . .
C31 C 0.1609(10) 0.9533(10) 0.3830(8) 0.034(3) Uani 1 1 d . . . . .
H31 H 0.111069 1.030072 0.358993 0.041 Uiso 1 1 calc R . . . .
C12 C 0.4374(10) 0.9945(11) 0.3647(9) 0.040(3) Uani 1 1 d . . . . .
H12 H 0.465858 0.943342 0.419100 0.047 Uiso 1 1 calc R . . . .
C30 C 0.2289(10) 0.8761(10) 0.3221(8) 0.033(3) Uani 1 1 d . . . . .
C11 C 0.4542(10) 0.9519(10) 0.2850(8) 0.035(3) Uani 1 1 d . . . . .
C8 C 0.6742(11) 0.6338(12) 0.3116(8) 0.041(3) Uani 1 1 d . . . . .
C6 C 0.5740(10) 0.6959(10) 0.1844(8) 0.034(3) Uani 1 1 d . . . . .
C7 C 0.6524(10) 0.6097(10) 0.2399(9) 0.037(3) Uani 1 1 d . . . . .
H7 H 0.691687 0.533127 0.228345 0.044 Uiso 1 1 calc R . . . .
C16 C 0.7674(12) 0.5430(11) 0.3647(9) 0.042(3) Uani 1 1 d . . . . .
C25 C 1.2210(10) 0.0856(11) 0.6138(9) 0.043(3) Uani 1 1 d . . . . .
H25 H 1.229621 0.079394 0.551010 0.052 Uiso 1 1 calc R . . . .
C9 C 0.6046(9) 0.7429(10) 0.3324(8) 0.035(3) Uani 1 1 d . . . . .
H9 H 0.611316 0.759784 0.385362 0.042 Uiso 1 1 calc R . . . .
C19 C 0.9423(11) 0.3735(11) 0.4618(8) 0.040(3) Uani 1 1 d . . . . .
C13 C 0.3788(13) 1.1121(12) 0.3619(10) 0.052(4) Uani 1 1 d . . . . .
H13 H 0.368377 1.143996 0.413250 0.062 Uiso 1 1 calc R . . . .
C37 C -0.0064(10) 1.0553(10) 0.2310(8) 0.035(3) Uani 1 1 d . . . . .
H37 H -0.010489 0.983528 0.264303 0.042 Uiso 1 1 calc R . . . .
C15 C 0.3505(10) 1.1333(10) 0.2087(8) 0.033(3) Uani 1 1 d . . . . .
H15 H 0.319475 1.183155 0.155002 0.039 Uiso 1 1 calc R . . . .
C43 C 0.1640(11) 0.8858(12) 0.0659(9) 0.045(3) Uani 1 1 d . . . . .
H43 H 0.148743 0.964570 0.039077 0.054 Uiso 1 1 calc R . . . .
C22 C 1.0309(12) 0.2803(12) 0.5131(10) 0.048(3) Uani 1 1 d . . . . .
H22 H 1.084298 0.214876 0.483905 0.057 Uiso 1 1 calc R . . . .
C2 C 0.4991(11) 0.6860(11) -0.0588(10) 0.043(3) Uani 1 1 d . . . . .
H2 H 0.477863 0.687672 -0.112784 0.052 Uiso 1 1 calc R . . . .
C39 C -0.1068(11) 1.2593(12) 0.1779(10) 0.044(3) Uani 1 1 d . . . . .
H39 H -0.178612 1.327925 0.176196 0.053 Uiso 1 1 calc R . . . .
C3 C 0.5702(12) 0.5864(13) -0.0116(11) 0.057(4) Uani 1 1 d . . . . .
H3 H 0.599749 0.516529 -0.033170 0.068 Uiso 1 1 calc R . . . .
C38 C -0.1126(10) 1.1561(12) 0.2267(9) 0.046(3) Uani 1 1 d . . . . .
H38 H -0.188619 1.152803 0.257750 0.056 Uiso 1 1 calc R . . . .
C47 C 0.2277(11) 0.7225(11) 0.1888(10) 0.047(3) Uani 1 1 d . . . . .
H47 H 0.256317 0.687265 0.245421 0.056 Uiso 1 1 calc R . . . .
C44 C 0.1437(12) 0.8256(12) 0.0225(10) 0.047(3) Uani 1 1 d . . . . .
H44 H 0.116691 0.860565 -0.034859 0.057 Uiso 1 1 calc R . . . .
C1 C 0.4588(10) 0.7855(11) -0.0248(8) 0.036(3) Uani 1 1 d . . . . .
H1 H 0.411681 0.856349 -0.059071 0.043 Uiso 1 1 calc R . . . .
C14 C 0.3358(12) 1.1818(12) 0.2825(10) 0.046(3) Uani 1 1 d . . . . .
H14 H 0.296110 1.263090 0.278267 0.055 Uiso 1 1 calc R . . . .
C40 C 0.0049(12) 1.2633(10) 0.1306(9) 0.043(3) Uani 1 1 d . . . . .
H40 H 0.008588 1.334242 0.093948 0.052 Uiso 1 1 calc R . . . .
C41 C 0.1093(10) 1.1661(10) 0.1363(8) 0.036(3) Uani 1 1 d . . . . .
H41 H 0.184598 1.171083 0.105767 0.043 Uiso 1 1 calc R . . . .
C32 C 0.1628(12) 0.9224(13) 0.4787(10) 0.055(4) Uani 1 1 d . . . . .
H32 H 0.114730 0.976856 0.519928 0.066 Uiso 1 1 calc R . . . .
C24 C 1.1285(12) 0.1860(12) 0.6505(9) 0.048(3) Uani 1 1 d . . . . .
C26 C 1.2969(11) -0.0013(12) 0.6669(10) 0.050(4) Uani 1 1 d . . . . .
H26 H 1.354718 -0.069244 0.642452 0.060 Uiso 1 1 calc R . . . .
C4 C 0.6014(12) 0.5840(11) 0.0688(9) 0.044(3) Uani 1 1 d . . . . .
H4 H 0.653490 0.514298 0.100462 0.053 Uiso 1 1 calc R . . . .
C28 C 1.2031(13) 0.1047(13) 0.7945(10) 0.053(4) Uani 1 1 d . . . . .
H28 H 1.197111 0.110917 0.856565 0.064 Uiso 1 1 calc R . . . .
C34 C 0.3058(12) 0.7297(13) 0.4534(9) 0.057(4) Uani 1 1 d . . . . .
H34 H 0.356318 0.653248 0.477387 0.068 Uiso 1 1 calc R . . . .
C46 C 0.2069(13) 0.6584(12) 0.1461(11) 0.057(4) Uani 1 1 d . . . . .
H46 H 0.222687 0.579674 0.173345 0.068 Uiso 1 1 calc R . . . .
C27 C 1.2901(15) 0.0091(16) 0.7589(11) 0.067(5) Uani 1 1 d . . . . .
H27 H 1.345466 -0.049694 0.794941 0.081 Uiso 1 1 calc R . . . .
C23 C 1.0443(13) 0.2775(14) 0.5941(10) 0.065(5) Uani 1 1 d . . . . .
H23 H 0.991821 0.344800 0.620931 0.078 Uiso 1 1 calc R . . . .
C29 C 1.1211(13) 0.1952(15) 0.7415(11) 0.066(5) Uani 1 1 d . . . . .
H29 H 1.061647 0.261502 0.767647 0.079 Uiso 1 1 calc R . . . .
C21 C 0.7736(17) 0.5519(16) 0.4435(14) 0.100(8) Uani 1 1 d . . . . .
H21 H 0.713808 0.617107 0.470960 0.120 Uiso 1 1 calc R . . . .
C20 C 0.8610(18) 0.4734(16) 0.4904(13) 0.108(9) Uani 1 1 d . . . . .
H20 H 0.864461 0.489984 0.545015 0.129 Uiso 1 1 calc R . . . .
C45 C 0.1639(12) 0.7085(15) 0.0653(13) 0.067(5) Uani 1 1 d . . . . .
H45 H 0.147617 0.665154 0.037837 0.081 Uiso 1 1 calc R . . . .
C33 C 0.2360(12) 0.8107(15) 0.5131(10) 0.067(5) Uani 1 1 d . . . . .
H33 H 0.238835 0.788827 0.578337 0.080 Uiso 1 1 calc R . . . .
C17 C 0.8626(18) 0.4501(16) 0.3236(14) 0.103(8) Uani 1 1 d . . . . .
H17 H 0.868935 0.443402 0.261567 0.123 Uiso 1 1 calc R . . . .
C18 C 0.9483(19) 0.3672(16) 0.3746(14) 0.103(8) Uani 1 1 d . . . . .
H18 H 1.012610 0.304522 0.346112 0.124 Uiso 1 1 calc R . . . .


_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 Cl1 2.494(3) 2_675 ?
Ru1 Cl1 2.459(3) . ?
Ru1 P1 2.284(3) . ?
Ru1 N3 2.108(8) . ?
Ru1 N2 1.947(9) . ?
Ru1 N1 2.061(9) . ?
P1 C36 1.839(10) . ?
P1 C42 1.840(12) . ?
P1 C30 1.842(11) . ?
P2 F1 1.580(9) . ?
P2 F5 1.587(8) . ?
P2 F4 1.573(9) . ?
P2 F2 1.611(11) . ?
P2 F3 1.605(9) . ?
P2 F6 1.563(10) . ?
N3 C11 1.366(16) . ?
N3 C15 1.302(14) . ?
N2 C10 1.355(14) . ?
N2 C6 1.369(14) . ?
N1 C5 1.380(14) . ?
N1 C1 1.331(14) . ?
C10 C11 1.490(16) . ?
C10 C9 1.361(16) . ?
C36 C37 1.410(16) . ?
C36 C41 1.385(16) . ?
C5 C6 1.467(16) . ?
C5 C4 1.372(16) . ?
C35 H35 0.9500 . ?
C35 C30 1.386(16) . ?
C35 C34 1.418(17) . ?
C42 C43 1.417(17) . ?
C42 C47 1.357(17) . ?
C31 H31 0.9500 . ?
C31 C30 1.373(15) . ?
C31 C32 1.387(18) . ?
C12 H12 0.9500 . ?
C12 C11 1.414(17) . ?
C12 C13 1.381(18) . ?
C8 C7 1.386(17) . ?
C8 C16 1.505(19) . ?
C8 C9 1.377(17) . ?
C6 C7 1.397(17) . ?
C7 H7 0.9500 . ?
C16 C21 1.28(2) . ?
C16 C17 1.400(19) . ?
C25 H25 0.9500 . ?
C25 C24 1.428(18) . ?
C25 C26 1.360(17) . ?
C9 H9 0.9500 . ?
C19 C22 1.462(18) . ?
C19 C20 1.344(18) . ?
C19 C18 1.33(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.38(2) . ?
C37 H37 0.9500 . ?
C37 C38 1.403(16) . ?
C15 H15 0.9500 . ?
C15 C14 1.391(17) . ?
C43 H43 0.9500 . ?
C43 C44 1.361(17) . ?
C22 H22 0.9500 . ?
C22 C23 1.294(19) . ?
C2 H2 0.9500 . ?
C2 C3 1.35(2) . ?
C2 C1 1.384(17) . ?
C39 H39 0.9500 . ?
C39 C38 1.368(19) . ?
C39 C40 1.394(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.411(19) . ?
C38 H38 0.9500 . ?
C47 H47 0.9500 . ?
C47 C46 1.400(18) . ?
C44 H44 0.9500 . ?
C44 C45 1.42(2) . ?
C1 H1 0.9500 . ?
C14 H14 0.9500 . ?
C40 H40 0.9500 . ?
C40 C41 1.369(17) . ?
C41 H41 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.38(2) . ?
C24 C23 1.47(2) . ?
C24 C29 1.398(19) . ?
C26 H26 0.9500 . ?
C26 C27 1.42(2) . ?
C4 H4 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.36(2) . ?
C28 C29 1.42(2) . ?
C34 H34 0.9500 . ?
C34 C33 1.396(19) . ?
C46 H46 0.9500 . ?
C46 C45 1.37(2) . ?
C27 H27 0.9500 . ?
C23 H23 0.9500 . ?
C29 H29 0.9500 . ?
C21 H21 0.9500 . ?
C21 C20 1.37(2) . ?
C20 H20 0.9500 . ?
C45 H45 0.9500 . ?
C33 H33 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.40(2) . ?
C18 H18 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
Cl1 Ru1 Cl1 82.50(9) . 2_675 ?
P1 Ru1 Cl1 97.65(10) . . ?
P1 Ru1 Cl1 179.35(10) . 2_675 ?
N3 Ru1 Cl1 104.3(3) . . ?
N3 Ru1 Cl1 91.2(2) . 2_675 ?
N3 Ru1 P1 89.4(2) . . ?
N2 Ru1 Cl1 166.5(3) . . ?
N2 Ru1 Cl1 84.5(3) . 2_675 ?
N2 Ru1 P1 95.3(3) . . ?
N2 Ru1 N3 79.5(4) . . ?
N2 Ru1 N1 80.9(4) . . ?
N1 Ru1 Cl1 94.8(3) . . ?
N1 Ru1 Cl1 86.5(2) . 2_675 ?
N1 Ru1 P1 92.8(2) . . ?
N1 Ru1 N3 160.4(4) . . ?
Ru1 Cl1 Ru1 97.50(9) . 2_675 ?
C36 P1 Ru1 119.6(4) . . ?
C36 P1 C42 100.6(5) . . ?
C36 P1 C30 102.4(5) . . ?
C42 P1 Ru1 113.5(3) . . ?
C42 P1 C30 108.4(5) . . ?
C30 P1 Ru1 111.2(4) . . ?
F1 P2 F5 89.1(5) . . ?
F1 P2 F2 178.0(6) . . ?
F1 P2 F3 89.6(5) . . ?
F5 P2 F2 89.0(5) . . ?
F5 P2 F3 87.9(5) . . ?
F4 P2 F1 90.6(5) . . ?
F4 P2 F5 91.3(5) . . ?
F4 P2 F2 88.8(6) . . ?
F4 P2 F3 179.2(5) . . ?
F3 P2 F2 90.9(6) . . ?
F6 P2 F1 92.9(6) . . ?
F6 P2 F5 177.6(6) . . ?
F6 P2 F4 90.0(5) . . ?
F6 P2 F2 89.0(7) . . ?
F6 P2 F3 90.7(5) . . ?
C11 N3 Ru1 111.1(7) . . ?
C15 N3 Ru1 130.6(8) . . ?
C15 N3 C11 118.3(9) . . ?
C10 N2 Ru1 121.0(7) . . ?
C10 N2 C6 120.9(10) . . ?
C6 N2 Ru1 116.9(8) . . ?
C5 N1 Ru1 112.9(7) . . ?
C1 N1 Ru1 129.8(8) . . ?
C1 N1 C5 117.3(10) . . ?
N2 C10 C11 110.2(10) . . ?
N2 C10 C9 119.8(10) . . ?
C9 C10 C11 130.0(11) . . ?
C37 C36 P1 118.0(9) . . ?
C41 C36 P1 123.3(8) . . ?
C41 C36 C37 118.6(10) . . ?
N1 C5 C6 114.3(9) . . ?
C4 C5 N1 122.0(11) . . ?
C4 C5 C6 123.7(11) . . ?
C30 C35 H35 120.3 . . ?
C30 C35 C34 119.5(11) . . ?
C34 C35 H35 120.3 . . ?
C43 C42 P1 115.7(9) . . ?
C47 C42 P1 125.2(9) . . ?
C47 C42 C43 118.9(12) . . ?
C30 C31 H31 119.1 . . ?
C30 C31 C32 121.8(11) . . ?
C32 C31 H31 119.1 . . ?
C11 C12 H12 120.7 . . ?
C13 C12 H12 120.7 . . ?
C13 C12 C11 118.6(12) . . ?
C35 C30 P1 119.0(8) . . ?
C31 C30 P1 120.5(9) . . ?
C31 C30 C35 119.9(11) . . ?
N3 C11 C10 117.3(10) . . ?
N3 C11 C12 121.6(11) . . ?
C12 C11 C10 121.2(11) . . ?
C7 C8 C16 120.7(11) . . ?
C9 C8 C7 116.7(11) . . ?
C9 C8 C16 122.6(11) . . ?
N2 C6 C5 114.4(10) . . ?
N2 C6 C7 118.6(11) . . ?
C7 C6 C5 127.0(10) . . ?
C8 C7 C6 121.3(11) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C21 C16 C8 123.0(13) . . ?
C21 C16 C17 115.7(14) . . ?
C17 C16 C8 120.8(12) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C26 C25 C24 121.4(13) . . ?
C10 C9 C8 122.4(11) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C20 C19 C22 125.4(12) . . ?
C18 C19 C22 119.0(12) . . ?
C18 C19 C20 115.2(13) . . ?
C12 C13 H13 120.9 . . ?
C14 C13 C12 118.1(12) . . ?
C14 C13 H13 120.9 . . ?
C36 C37 H37 120.1 . . ?
C38 C37 C36 119.9(11) . . ?
C38 C37 H37 120.1 . . ?
N3 C15 H15 118.5 . . ?
N3 C15 C14 123.0(12) . . ?
C14 C15 H15 118.5 . . ?
C42 C43 H43 119.0 . . ?
C44 C43 C42 121.9(14) . . ?
C44 C43 H43 119.0 . . ?
C19 C22 H22 116.6 . . ?
C23 C22 C19 126.9(13) . . ?
C23 C22 H22 116.6 . . ?
C3 C2 H2 121.5 . . ?
C3 C2 C1 117.1(13) . . ?
C1 C2 H2 121.5 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.7(12) . . ?
C40 C39 H39 120.1 . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.4(13) . . ?
C4 C3 H3 119.3 . . ?
C37 C38 H38 119.9 . . ?
C39 C38 C37 120.1(12) . . ?
C39 C38 H38 119.9 . . ?
C42 C47 H47 119.8 . . ?
C42 C47 C46 120.5(14) . . ?
C46 C47 H47 119.8 . . ?
C43 C44 H44 120.9 . . ?
C43 C44 C45 118.2(14) . . ?
C45 C44 H44 120.9 . . ?
N1 C1 C2 124.5(12) . . ?
N1 C1 H1 117.7 . . ?
C2 C1 H1 117.7 . . ?
C13 C14 C15 120.1(12) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C39 C40 H40 119.6 . . ?
C41 C40 C39 120.7(12) . . ?
C41 C40 H40 119.6 . . ?
C36 C41 H41 119.6 . . ?
C40 C41 C36 120.9(11) . . ?
C40 C41 H41 119.6 . . ?
C31 C32 H32 120.6 . . ?
C33 C32 C31 118.8(12) . . ?
C33 C32 H32 120.6 . . ?
C25 C24 C23 121.0(12) . . ?
C29 C24 C25 118.1(13) . . ?
C29 C24 C23 120.9(13) . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.2(14) . . ?
C27 C26 H26 119.9 . . ?
C5 C4 C3 117.6(12) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
C27 C28 H28 119.1 . . ?
C27 C28 C29 121.9(14) . . ?
C29 C28 H28 119.1 . . ?
C35 C34 H34 120.5 . . ?
C33 C34 C35 119.0(13) . . ?
C33 C34 H34 120.5 . . ?
C47 C46 H46 119.7 . . ?
C45 C46 C47 120.5(15) . . ?
C45 C46 H46 119.7 . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 118.9(14) . . ?
C28 C27 H27 120.5 . . ?
C22 C23 C24 129.7(14) . . ?
C22 C23 H23 115.2 . . ?
C24 C23 H23 115.2 . . ?
C24 C29 C28 119.4(14) . . ?
C24 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C16 C21 H21 118.0 . . ?
C16 C21 C20 124.0(15) . . ?
C20 C21 H21 118.0 . . ?
C19 C20 C21 122.1(15) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.0(13) . . ?
C46 C45 H45 120.0 . . ?
C32 C33 C34 121.0(13) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 H33 119.5 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(15) . . ?
C18 C17 H17 120.2 . . ?
C19 C18 C17 122.0(15) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT971_Complex_1prime      
;
PROBLEM: Check Calcd Resid. Dens. 3.16A From C17 4.14 eA-3 Check Calcd Resid. Dens. 3.16A From C17 4.14 eA-3
RESPONSE: Crystals diffracted weakly. Multiple attempts were 
made to grow better diffracting crystals. R factor is also high 
due to the weak diffraction.  
;
_vrf_PLAT973_Complex_1prime      
;
PROBLEM: Check Calcd Positive Resid. Density on Ru1 2.39 eA-3
RESPONSE: Crystals diffracted weakly. Multiple attempts were made 
to grow better diffracting crystals. R factor is also high due to 
the weak diffraction. 
;
# end Validation Reply Form
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM and hexanes'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex_3
_database_code_depnum_ccdc_archive 'CCDC 1828216'
_audit_update_record             
;
2018-03-07 deposited with the CCDC.
2018-06-29 downloaded from the CCDC.
;
_audit_creation_date             2018-03-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C69 H53 Cl N3 P2 Ru, F6 P, C H2 Cl'
_chemical_formula_sum            'C69 H0.25 Cl F7 N3 P3 Ru'
_chemical_formula_weight         1233.40
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   14.489(4)
_cell_length_b                   17.629(5)
_cell_length_c                   23.036(7)
_cell_angle_alpha                90
_cell_angle_beta                 97.774(8)
_cell_angle_gamma                90
_cell_volume                     5830(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8921
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.419
_cell_measurement_theta_min      2.312
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.464
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_correction_T_min  0.670462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2004/1 (Bruker,2004) was used for absorption correction.
R(int) was 0.1052 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.6705.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2417
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47182
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        21.110
_diffrn_reflns_theta_max         21.110
_diffrn_reflns_theta_min         1.418
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5121
_reflns_number_total             6327
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.34A (Bruker, 200?)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.906
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         6327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0523
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0577P)²+29.7291P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1376
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C0AA(H0AA,H0AB)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C7(H7), C15(H15), C1(H1), C41(H41), C12(H12), C14(H14), C57(H57),
 C4(H4), C2(H2), C13(H13), C59(H59), C65(H65), C69(H69), C66(H66), C51(H51),
 C47(H47), C56(H56), C49(H49), C54(H54), C67(H67), C53(H53), C60(H60), C55(H55),
  C42(H42), C48(H48), C68(H68), C50(H50), C35(H35), C3(H3), C44(H44), C45(H45),
 C63(H63), C43(H43), C36(H36), C39(H39), C37(H37), C61(H61), C62(H62), C21(H21),
  C38(H38), C17(H17), C25(H25), C20(H20), C26(H26), C32(H32), C31(H31),
 C18(H18), C27(H27), C23(H23A), C30(H30), C22(H23B), C1AA(H1AA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.42450(3) 0.15978(2) 0.74445(2) 0.02078(19) Uani 1 1 d . . . . .
Cl0A Cl 0.51574(11) 0.04409(8) 0.76357(6) 0.0299(4) Uani 1 1 d . . . . .
P2 P 0.43555(11) 0.17284(8) 0.84925(7) 0.0227(4) Uani 1 1 d . . . . .
P1 P 0.41057(11) 0.12845(9) 0.64170(7) 0.0248(4) Uani 1 1 d . . . . .
P3 P -0.10419(18) 0.27998(15) 0.63491(11) 0.0715(7) Uani 1 1 d . . . . .
Cl00 Cl 0.0656(3) 0.4378(3) 0.49810(16) 0.1592(18) Uani 1 1 d . . . . .
N2 N 0.3508(3) 0.2522(3) 0.72875(19) 0.0215(12) Uani 1 1 d . . . . .
N1 N 0.2908(3) 0.1166(3) 0.74318(19) 0.0223(12) Uani 1 1 d . . . . .
N3 N 0.5290(3) 0.2398(3) 0.73689(19) 0.0253(12) Uani 1 1 d . . . . .
F5 F 0.0034(3) 0.2709(3) 0.6464(2) 0.0984(18) Uani 1 1 d . . . . .
C10 C 0.3934(4) 0.3176(3) 0.7157(2) 0.0214(14) Uani 1 1 d . . . . .
C9 C 0.3425(4) 0.3839(3) 0.7054(2) 0.0241(15) Uani 1 1 d . . . . .
H9 H 0.371928 0.428513 0.696528 0.029 Uiso 1 1 calc R . . . .
F1 F -0.0921(4) 0.3281(4) 0.5795(2) 0.109(2) Uani 1 1 d . . . . .
C7 C 0.2045(4) 0.3153(3) 0.7204(3) 0.0276(15) Uani 1 1 d . . . . .
H7 H 0.140703 0.313693 0.721938 0.033 Uiso 1 1 calc R . . . .
C5 C 0.2244(4) 0.1716(3) 0.7379(2) 0.0257(15) Uani 1 1 d . . . . .
C15 C 0.6224(4) 0.2318(3) 0.7448(3) 0.0277(15) Uani 1 1 d . . . . .
H15 H 0.647468 0.187098 0.761667 0.033 Uiso 1 1 calc R . . . .
F6 F -0.2128(4) 0.2890(4) 0.6220(2) 0.109(2) Uani 1 1 d . . . . .
C1 C 0.2645(4) 0.0438(3) 0.7463(2) 0.0263(15) Uani 1 1 d . . . . .
H1 H 0.309964 0.006201 0.749530 0.032 Uiso 1 1 calc R . . . .
C11 C 0.4939(4) 0.3092(3) 0.7168(2) 0.0216(14) Uani 1 1 d . . . . .
C46 C 0.3561(4) 0.2078(3) 0.5978(2) 0.0279(15) Uani 1 1 d . . . . .
C41 C 0.6020(4) 0.1101(3) 0.6363(3) 0.0296(15) Uani 1 1 d . . . . .
H41 H 0.610661 0.117634 0.676647 0.036 Uiso 1 1 calc R . . . .
C8 C 0.2471(4) 0.3836(3) 0.7084(2) 0.0270(15) Uani 1 1 d . . . . .
C12 C 0.5516(4) 0.3654(3) 0.6995(3) 0.0296(16) Uani 1 1 d . . . . .
H12 H 0.526534 0.411135 0.684551 0.036 Uiso 1 1 calc R . . . .
C6 C 0.2577(4) 0.2498(3) 0.7301(2) 0.0257(15) Uani 1 1 d . . . . .
C14 C 0.6821(5) 0.2858(3) 0.7293(3) 0.0328(16) Uani 1 1 d . . . . .
H14 H 0.746121 0.277657 0.735281 0.039 Uiso 1 1 calc R . . . .
C64 C 0.3753(4) 0.2566(3) 0.8735(2) 0.0243(14) Uani 1 1 d . . . . .
C58 C 0.5502(4) 0.1820(3) 0.8937(3) 0.0273(15) Uani 1 1 d . . . . .
C57 C 0.2892(4) 0.0801(3) 0.8754(2) 0.0282(15) Uani 1 1 d . . . . .
H57 H 0.250572 0.115328 0.854152 0.034 Uiso 1 1 calc R . . . .
C4 C 0.1309(5) 0.1536(4) 0.7372(3) 0.0406(18) Uani 1 1 d . . . . .
H4 H 0.086074 0.191694 0.734317 0.049 Uiso 1 1 calc R . . . .
C2 C 0.1730(4) 0.0230(4) 0.7450(3) 0.0360(17) Uani 1 1 d . . . . .
H2 H 0.156900 -0.027930 0.746909 0.043 Uiso 1 1 calc R . . . .
C16 C 0.1915(5) 0.4540(4) 0.6974(3) 0.0346(17) Uani 1 1 d . . . . .
C13 C 0.6459(5) 0.3529(3) 0.7046(3) 0.0342(17) Uani 1 1 d . . . . .
H13 H 0.684987 0.389073 0.691527 0.041 Uiso 1 1 calc R . . . .
C52 C 0.3843(4) 0.0915(3) 0.8833(2) 0.0246(14) Uani 1 1 d . . . . .
C59 C 0.5610(5) 0.2235(3) 0.9460(3) 0.0317(16) Uani 1 1 d . . . . .
H59 H 0.509969 0.248610 0.957516 0.038 Uiso 1 1 calc R . . . .
C65 C 0.3059(4) 0.2545(3) 0.9100(3) 0.0300(15) Uani 1 1 d . . . . .
H65 H 0.285779 0.208084 0.922902 0.036 Uiso 1 1 calc R . . . .
C69 C 0.4053(4) 0.3275(3) 0.8561(3) 0.0279(15) Uani 1 1 d . . . . .
H69 H 0.452277 0.330051 0.832294 0.034 Uiso 1 1 calc R . . . .
C66 C 0.2670(5) 0.3213(4) 0.9272(3) 0.0369(17) Uani 1 1 d . . . . .
H66 H 0.220307 0.319493 0.951184 0.044 Uiso 1 1 calc R . . . .
C51 C 0.2624(5) 0.2260(4) 0.5955(3) 0.0326(16) Uani 1 1 d . . . . .
H51 H 0.223040 0.193022 0.611927 0.039 Uiso 1 1 calc R . . . .
C47 C 0.4132(5) 0.2604(3) 0.5741(2) 0.0301(16) Uani 1 1 d . . . . .
H47 H 0.476632 0.250735 0.576013 0.036 Uiso 1 1 calc R . . . .
C56 C 0.2500(5) 0.0165(4) 0.8988(3) 0.0375(17) Uani 1 1 d . . . . .
H56 H 0.185703 0.009881 0.892950 0.045 Uiso 1 1 calc R . . . .
C49 C 0.2833(5) 0.3428(4) 0.5458(3) 0.0432(19) Uani 1 1 d . . . . .
H49 H 0.258912 0.387534 0.528692 0.052 Uiso 1 1 calc R . . . .
C54 C 0.4005(5) -0.0252(4) 0.9389(3) 0.0404(18) Uani 1 1 d . . . . .
H54 H 0.438638 -0.060417 0.960576 0.048 Uiso 1 1 calc R . . . .
C67 C 0.2969(5) 0.3900(4) 0.9092(3) 0.0377(17) Uani 1 1 d . . . . .
H67 H 0.270308 0.434467 0.920882 0.045 Uiso 1 1 calc R . . . .
C53 C 0.4405(5) 0.0378(3) 0.9155(3) 0.0326(16) Uani 1 1 d . . . . .
H53 H 0.504781 0.044122 0.921446 0.039 Uiso 1 1 calc R . . . .
C40 C 0.5129(4) 0.1094(3) 0.6059(3) 0.0271(15) Uani 1 1 d . . . . .
C60 C 0.6458(5) 0.2277(4) 0.9806(3) 0.0398(18) Uani 1 1 d . . . . .
H60 H 0.651632 0.255204 1.015375 0.048 Uiso 1 1 calc R . . . .
C55 C 0.3058(5) -0.0362(4) 0.9304(3) 0.0407(18) Uani 1 1 d . . . . .
H55 H 0.279778 -0.078707 0.945880 0.049 Uiso 1 1 calc R . . . .
C42 C 0.6787(5) 0.0994(3) 0.6071(3) 0.0364(17) Uani 1 1 d . . . . .
H42 H 0.738406 0.100521 0.627805 0.044 Uiso 1 1 calc R . . . .
C48 C 0.3768(5) 0.3266(4) 0.5480(3) 0.0394(18) Uani 1 1 d . . . . .
H48 H 0.415623 0.360251 0.531793 0.047 Uiso 1 1 calc R . . . .
C68 C 0.3662(5) 0.3935(3) 0.8736(3) 0.0344(16) Uani 1 1 d . . . . .
H68 H 0.386537 0.440226 0.861597 0.041 Uiso 1 1 calc R . . . .
C34 C 0.3426(4) 0.0409(3) 0.6222(3) 0.0298(16) Uani 1 1 d . . . . .
C50 C 0.2264(5) 0.2920(4) 0.5693(3) 0.0381(17) Uani 1 1 d . . . . .
H50 H 0.163155 0.302213 0.567452 0.046 Uiso 1 1 calc R . . . .
C35 C 0.3842(5) -0.0271(3) 0.6425(3) 0.0323(16) Uani 1 1 d . . . . .
H35 H 0.444223 -0.026161 0.662733 0.039 Uiso 1 1 calc R . . . .
C3 C 0.1052(5) 0.0782(4) 0.7408(3) 0.0474(19) Uani 1 1 d . . . . .
H3 H 0.043008 0.065055 0.740482 0.057 Uiso 1 1 calc R . . . .
C44 C 0.5790(6) 0.0842(4) 0.5171(3) 0.0460(19) Uani 1 1 d . . . . .
H44 H 0.571500 0.074278 0.477080 0.055 Uiso 1 1 calc R . . . .
C45 C 0.5016(5) 0.0958(3) 0.5451(3) 0.0339(16) Uani 1 1 d . . . . .
H45 H 0.442311 0.094510 0.523919 0.041 Uiso 1 1 calc R . . . .
C63 C 0.6277(5) 0.1452(4) 0.8779(3) 0.0379(17) Uani 1 1 d . . . . .
H63 H 0.622702 0.116934 0.843495 0.045 Uiso 1 1 calc R . . . .
C43 C 0.6670(5) 0.0875(4) 0.5480(3) 0.0429(19) Uani 1 1 d . . . . .
H43 H 0.718761 0.081408 0.528595 0.052 Uiso 1 1 calc R . . . .
C36 C 0.3386(5) -0.0961(4) 0.6334(3) 0.0372(17) Uani 1 1 d . . . . .
H36 H 0.368593 -0.140685 0.646672 0.045 Uiso 1 1 calc R . . . .
C39 C 0.2552(5) 0.0371(4) 0.5913(3) 0.0455(19) Uani 1 1 d . . . . .
H39 H 0.226421 0.080851 0.575207 0.055 Uiso 1 1 calc R . . . .
F3 F -0.1038(6) 0.3510(4) 0.6747(3) 0.142(3) Uani 1 1 d . . . . .
C37 C 0.2507(5) -0.0985(4) 0.6053(3) 0.0442(19) Uani 1 1 d . . . . .
H37 H 0.218880 -0.144353 0.600629 0.053 Uiso 1 1 calc R . . . .
C61 C 0.7219(5) 0.1916(4) 0.9643(3) 0.0432(19) Uani 1 1 d . . . . .
H61 H 0.779259 0.194849 0.987798 0.052 Uiso 1 1 calc R . . . .
C62 C 0.7134(5) 0.1508(4) 0.9137(3) 0.0461(19) Uani 1 1 d . . . . .
H62 H 0.765292 0.126410 0.902722 0.055 Uiso 1 1 calc R . . . .
C21 C 0.2234(5) 0.5220(4) 0.7221(4) 0.061(2) Uani 1 1 d . . . . .
H21 H 0.279019 0.523936 0.747451 0.073 Uiso 1 1 calc R . . . .
C28 C -0.0448(5) 0.9076(4) 0.5820(4) 0.050(2) Uani 1 1 d . . . . .
C38 C 0.2089(5) -0.0330(4) 0.5838(3) 0.055(2) Uani 1 1 d . . . . .
H38 H 0.148677 -0.034828 0.563870 0.066 Uiso 1 1 calc R . . . .
F2 F -0.1152(5) 0.2279(4) 0.6897(4) 0.150(3) Uani 1 1 d . . . . .
F4 F -0.1131(5) 0.2068(4) 0.5960(4) 0.171(4) Uani 1 1 d . . . . .
C17 C 0.1073(5) 0.4541(5) 0.6607(3) 0.056(2) Uani 1 1 d . . . . .
H17 H 0.084116 0.409018 0.643514 0.068 Uiso 1 1 calc R . . . .
C25 C 0.0038(7) 0.7798(7) 0.5336(4) 0.083(3) Uani 1 1 d . . . . .
H25 H 0.020057 0.732947 0.519458 0.099 Uiso 1 1 calc R . . . .
C20 C 0.1707(8) 0.5891(5) 0.7085(6) 0.102(4) Uani 1 1 d . . . . .
H20 H 0.191864 0.634924 0.725243 0.122 Uiso 1 1 calc R . . . .
C19 C 0.0890(8) 0.5868(7) 0.6708(7) 0.110(5) Uani 1 1 d . . . . .
C26 C -0.0226(6) 0.8318(6) 0.4921(5) 0.075(3) Uani 1 1 d . . . . .
H26 H -0.022499 0.822261 0.452374 0.090 Uiso 1 1 calc R . . . .
C32 C -0.0069(6) 0.8580(8) 0.6848(4) 0.084(3) Uani 1 1 d . . . . .
H32 H 0.015567 0.822758 0.713291 0.101 Uiso 1 1 calc R . . . .
C33 C -0.0108(6) 0.8439(7) 0.6091(6) 0.107(5) Uani 1 1 d . . . . .
C31 C -0.0395(7) 0.9237(8) 0.6955(5) 0.083(3) Uani 1 1 d . . . . .
H31 H -0.043384 0.937125 0.734185 0.100 Uiso 1 1 calc R . . . .
C18 C 0.0578(7) 0.5205(7) 0.6493(5) 0.092(4) Uani 1 1 d . . . . .
H18 H 0.000433 0.518621 0.625715 0.111 Uiso 1 1 calc R . . . .
C27 C -0.0518(6) 0.9049(8) 0.5142(6) 0.117(5) Uani 1 1 d . . . . .
H27 H -0.072318 0.945501 0.490068 0.141 Uiso 1 1 calc R . . . .
C23 C 0.0461(8) 0.7170(6) 0.6392(5) 0.103(4) Uani 1 1 d . . . . .
H23A H 0.101042 0.733546 0.661172 0.124 Uiso 1 1 calc R . . . .
C24 C 0.0122(8) 0.7851(7) 0.6055(12) 0.241(15) Uani 1 1 d . . . . .
C30 C -0.0690(7) 0.9752(12) 0.6514(7) 0.181(9) Uani 1 1 d . . . . .
H30 H -0.093337 1.017928 0.667511 0.217 Uiso 1 1 calc R . . . .
C22 C 0.0417(11) 0.6600(8) 0.6517(12) 0.308(18) Uani 1 1 d . . . . .
H23B H -0.021642 0.650315 0.650307 0.370 Uiso 1 1 calc R . . . .
C0AA C 0.0670(14) 0.5268(9) 0.4977(6) 0.188(9) Uani 1 1 d . . . . .
H0AA H 0.088346 0.545334 0.462180 0.226 Uiso 1 1 calc R . . . .
H0AB H 0.108671 0.545755 0.531099 0.226 Uiso 1 1 calc R . . . .
C1AA C -0.0731(10) 0.9820(9) 0.6058(7) 0.127(5) Uiso 1 1 d . . . . .
H1AA H -0.090812 1.025601 0.584448 0.153 Uiso 1 1 calc R . . . .


_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 Cl0A 2.4379(16) . ?
Ru1 P2 2.4088(17) . ?
Ru1 P1 2.4122(17) . ?
Ru1 N2 1.954(5) . ?
Ru1 N1 2.078(5) . ?
Ru1 N3 2.094(5) . ?
P2 C64 1.840(6) . ?
P2 C58 1.837(6) . ?
P2 C52 1.838(6) . ?
P1 C46 1.840(6) . ?
P1 C40 1.822(6) . ?
P1 C34 1.853(6) . ?
P3 F5 1.554(5) . ?
P3 F1 1.562(6) . ?
P3 F6 1.570(6) . ?
P3 F3 1.551(6) . ?
P3 F2 1.587(7) . ?
P3 F4 1.566(7) . ?
Cl00 C0AA 1.569(15) . ?
Cl00 C0AA 2.03(2) 3_566 ?
N2 C10 1.361(7) . ?
N2 C6 1.354(7) . ?
N1 C5 1.360(7) . ?
N1 C1 1.344(7) . ?
N3 C15 1.348(7) . ?
N3 C11 1.380(7) . ?
C10 C9 1.386(8) . ?
C10 C11 1.461(8) . ?
C9 H9 0.9300 . ?
C9 C8 1.393(8) . ?
C7 H7 0.9300 . ?
C7 C8 1.398(8) . ?
C7 C6 1.389(8) . ?
C5 C6 1.479(8) . ?
C5 C4 1.390(9) . ?
C15 H15 0.9300 . ?
C15 C14 1.367(8) . ?
C1 H1 0.9300 . ?
C1 C2 1.373(8) . ?
C11 C12 1.389(8) . ?
C46 C51 1.390(9) . ?
C46 C47 1.401(8) . ?
C41 H41 0.9300 . ?
C41 C40 1.384(9) . ?
C41 C42 1.388(9) . ?
C8 C16 1.483(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.373(9) . ?
C14 H14 0.9300 . ?
C14 C13 1.385(9) . ?
C64 C65 1.396(8) . ?
C64 C69 1.399(8) . ?
C58 C59 1.400(8) . ?
C58 C63 1.389(9) . ?
C57 H57 0.9300 . ?
C57 C52 1.380(8) . ?
C57 C56 1.397(9) . ?
C4 H4 0.9300 . ?
C4 C3 1.386(9) . ?
C2 H2 0.9300 . ?
C2 C3 1.376(9) . ?
C16 C21 1.380(10) . ?
C16 C17 1.387(10) . ?
C13 H13 0.9300 . ?
C52 C53 1.394(8) . ?
C59 H59 0.9300 . ?
C59 C60 1.374(9) . ?
C65 H65 0.9300 . ?
C65 C66 1.387(9) . ?
C69 H69 0.9300 . ?
C69 C68 1.379(8) . ?
C66 H66 0.9300 . ?
C66 C67 1.369(9) . ?
C51 H51 0.9300 . ?
C51 C50 1.379(9) . ?
C47 H47 0.9300 . ?
C47 C48 1.383(9) . ?
C56 H56 0.9300 . ?
C56 C55 1.375(9) . ?
C49 H49 0.9300 . ?
C49 C48 1.380(10) . ?
C49 C50 1.376(10) . ?
C54 H54 0.9300 . ?
C54 C53 1.395(9) . ?
C54 C55 1.374(9) . ?
C67 H67 0.9300 . ?
C67 C68 1.381(9) . ?
C53 H53 0.9300 . ?
C40 C45 1.408(8) . ?
C60 H60 0.9300 . ?
C60 C61 1.368(10) . ?
C55 H55 0.9300 . ?
C42 H42 0.9300 . ?
C42 C43 1.364(9) . ?
C48 H48 0.9300 . ?
C68 H68 0.9300 . ?
C34 C35 1.394(9) . ?
C34 C39 1.368(9) . ?
C50 H50 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.386(9) . ?
C3 H3 0.9300 . ?
C44 H44 0.9300 . ?
C44 C45 1.383(9) . ?
C44 C43 1.375(10) . ?
C45 H45 0.9300 . ?
C63 H63 0.9300 . ?
C63 C62 1.398(9) . ?
C43 H43 0.9300 . ?
C36 H36 0.9300 . ?
C36 C37 1.349(9) . ?
C39 H39 0.9300 . ?
C39 C38 1.406(10) . ?
C37 H37 0.9300 . ?
C37 C38 1.365(10) . ?
C61 H61 0.9300 . ?
C61 C62 1.362(10) . ?
C62 H62 0.9300 . ?
C21 H21 0.9300 . ?
C21 C20 1.418(12) . ?
C28 C33 1.345(12) . ?
C28 C27 1.552(15) . ?
C28 C1AA 1.500(15) . ?
C38 H38 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.379(11) . ?
C25 H25 0.9300 . ?
C25 C26 1.344(13) . ?
C25 C24 1.65(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.370(17) . ?
C19 C18 1.326(16) . ?
C19 C22 1.498(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.469(15) . ?
C32 H32 0.9300 . ?
C32 C33 1.755(16) . ?
C32 C31 1.288(13) . ?
C33 C24 1.095(16) . ?
C31 H31 0.9300 . ?
C31 C30 1.386(17) . ?
C18 H18 0.9300 . ?
C27 H27 0.9300 . ?
C23 H23A 0.9300 . ?
C23 C24 1.478(17) . ?
C23 C22 1.050(13) . ?
C30 H30 0.9300 . ?
C30 C1AA 1.050(16) . ?
C22 H23B 0.9300 . ?
C0AA H0AA 0.9700 . ?
C0AA H0AB 0.9700 . ?
C1AA H1AA 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
P2 Ru1 Cl0A 86.45(5) . . ?
P2 Ru1 P1 172.18(5) . . ?
P1 Ru1 Cl0A 87.54(5) . . ?
N2 Ru1 Cl0A 179.63(15) . . ?
N2 Ru1 P2 93.81(13) . . ?
N2 Ru1 P1 92.18(13) . . ?
N2 Ru1 N1 79.48(18) . . ?
N2 Ru1 N3 78.84(19) . . ?
N1 Ru1 Cl0A 100.25(13) . . ?
N1 Ru1 P2 89.12(13) . . ?
N1 Ru1 P1 87.03(13) . . ?
N1 Ru1 N3 158.26(18) . . ?
N3 Ru1 Cl0A 101.42(14) . . ?
N3 Ru1 P2 93.91(13) . . ?
N3 Ru1 P1 92.18(13) . . ?
C64 P2 Ru1 114.25(18) . . ?
C58 P2 Ru1 120.0(2) . . ?
C58 P2 C64 101.0(3) . . ?
C58 P2 C52 102.5(3) . . ?
C52 P2 Ru1 112.14(19) . . ?
C52 P2 C64 105.1(3) . . ?
C46 P1 Ru1 109.74(19) . . ?
C46 P1 C34 109.0(3) . . ?
C40 P1 Ru1 121.4(2) . . ?
C40 P1 C46 101.9(3) . . ?
C40 P1 C34 100.1(3) . . ?
C34 P1 Ru1 113.57(19) . . ?
F5 P3 F1 88.5(3) . . ?
F5 P3 F6 178.9(4) . . ?
F5 P3 F2 90.6(3) . . ?
F5 P3 F4 90.9(4) . . ?
F1 P3 F6 90.6(3) . . ?
F1 P3 F2 177.5(4) . . ?
F1 P3 F4 89.4(5) . . ?
F6 P3 F2 90.2(4) . . ?
F3 P3 F5 93.4(4) . . ?
F3 P3 F1 93.0(4) . . ?
F3 P3 F6 87.3(4) . . ?
F3 P3 F2 89.4(5) . . ?
F3 P3 F4 175.2(4) . . ?
F4 P3 F6 88.4(4) . . ?
F4 P3 F2 88.3(5) . . ?
C0AA Cl00 C0AA 73.0(9) . 3_566 ?
C10 N2 Ru1 119.6(4) . . ?
C6 N2 Ru1 119.4(4) . . ?
C6 N2 C10 120.9(5) . . ?
C5 N1 Ru1 112.8(4) . . ?
C1 N1 Ru1 128.3(4) . . ?
C1 N1 C5 119.0(5) . . ?
C15 N3 Ru1 129.9(4) . . ?
C15 N3 C11 117.1(5) . . ?
C11 N3 Ru1 112.8(4) . . ?
N2 C10 C9 120.4(5) . . ?
N2 C10 C11 113.0(5) . . ?
C9 C10 C11 126.5(5) . . ?
C10 C9 H9 120.1 . . ?
C10 C9 C8 119.7(5) . . ?
C8 C9 H9 120.1 . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.8(6) . . ?
N1 C5 C6 115.9(5) . . ?
N1 C5 C4 121.0(5) . . ?
C4 C5 C6 123.0(5) . . ?
N3 C15 H15 118.3 . . ?
N3 C15 C14 123.4(6) . . ?
C14 C15 H15 118.3 . . ?
N1 C1 H1 118.9 . . ?
N1 C1 C2 122.3(6) . . ?
C2 C1 H1 118.9 . . ?
N3 C11 C10 114.6(5) . . ?
N3 C11 C12 121.4(5) . . ?
C12 C11 C10 124.0(5) . . ?
C51 C46 P1 122.7(5) . . ?
C51 C46 C47 117.2(6) . . ?
C47 C46 P1 119.0(5) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C42 C41 C40 120.5(6) . . ?
C9 C8 C7 118.8(5) . . ?
C9 C8 C16 120.5(5) . . ?
C7 C8 C16 120.7(6) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.3(6) . . ?
C13 C12 H12 120.3 . . ?
N2 C6 C7 120.2(5) . . ?
N2 C6 C5 111.9(5) . . ?
C7 C6 C5 127.7(5) . . ?
C15 C14 H14 120.5 . . ?
C15 C14 C13 119.0(6) . . ?
C13 C14 H14 120.5 . . ?
C65 C64 P2 124.8(4) . . ?
C65 C64 C69 118.3(5) . . ?
C69 C64 P2 116.8(4) . . ?
C59 C58 P2 120.9(5) . . ?
C63 C58 P2 121.0(5) . . ?
C63 C58 C59 118.1(6) . . ?
C52 C57 H57 119.4 . . ?
C52 C57 C56 121.2(6) . . ?
C56 C57 H57 119.4 . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.2(6) . . ?
C3 C4 H4 120.4 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.4(6) . . ?
C3 C2 H2 120.3 . . ?
C21 C16 C8 120.9(6) . . ?
C21 C16 C17 117.9(7) . . ?
C17 C16 C8 121.2(6) . . ?
C12 C13 C14 119.4(6) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C57 C52 P2 120.7(4) . . ?
C57 C52 C53 118.1(5) . . ?
C53 C52 P2 121.1(5) . . ?
C58 C59 H59 119.5 . . ?
C60 C59 C58 121.0(6) . . ?
C60 C59 H59 119.5 . . ?
C64 C65 H65 119.9 . . ?
C66 C65 C64 120.2(6) . . ?
C66 C65 H65 119.9 . . ?
C64 C69 H69 119.6 . . ?
C68 C69 C64 120.9(6) . . ?
C68 C69 H69 119.6 . . ?
C65 C66 H66 119.8 . . ?
C67 C66 C65 120.5(6) . . ?
C67 C66 H66 119.8 . . ?
C46 C51 H51 119.3 . . ?
C50 C51 C46 121.4(6) . . ?
C50 C51 H51 119.3 . . ?
C46 C47 H47 119.4 . . ?
C48 C47 C46 121.1(6) . . ?
C48 C47 H47 119.4 . . ?
C57 C56 H56 119.8 . . ?
C55 C56 C57 120.4(6) . . ?
C55 C56 H56 119.8 . . ?
C48 C49 H49 120.4 . . ?
C50 C49 H49 120.4 . . ?
C50 C49 C48 119.2(6) . . ?
C53 C54 H54 119.4 . . ?
C55 C54 H54 119.4 . . ?
C55 C54 C53 121.1(6) . . ?
C66 C67 H67 119.8 . . ?
C66 C67 C68 120.3(6) . . ?
C68 C67 H67 119.8 . . ?
C52 C53 H53 119.9 . . ?
C54 C53 C52 120.2(6) . . ?
C54 C53 H53 119.9 . . ?
C41 C40 P1 122.1(5) . . ?
C41 C40 C45 118.6(6) . . ?
C45 C40 P1 119.3(5) . . ?
C59 C60 H60 119.8 . . ?
C61 C60 C59 120.4(6) . . ?
C61 C60 H60 119.8 . . ?
C56 C55 H55 120.5 . . ?
C54 C55 C56 119.0(6) . . ?
C54 C55 H55 120.5 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.3(7) . . ?
C43 C42 H42 119.8 . . ?
C47 C48 H48 119.8 . . ?
C49 C48 C47 120.4(6) . . ?
C49 C48 H48 119.8 . . ?
C69 C68 C67 119.8(6) . . ?
C69 C68 H68 120.1 . . ?
C67 C68 H68 120.1 . . ?
C35 C34 P1 116.3(5) . . ?
C39 C34 P1 126.3(5) . . ?
C39 C34 C35 117.4(6) . . ?
C51 C50 H50 119.7 . . ?
C49 C50 C51 120.7(7) . . ?
C49 C50 H50 119.7 . . ?
C34 C35 H35 119.1 . . ?
C36 C35 C34 121.9(6) . . ?
C36 C35 H35 119.1 . . ?
C4 C3 H3 120.4 . . ?
C2 C3 C4 119.2(6) . . ?
C2 C3 H3 120.4 . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C43 C44 C45 120.4(7) . . ?
C40 C45 H45 120.1 . . ?
C44 C45 C40 119.9(6) . . ?
C44 C45 H45 120.1 . . ?
C58 C63 H63 120.1 . . ?
C58 C63 C62 119.8(6) . . ?
C62 C63 H63 120.1 . . ?
C42 C43 C44 120.3(7) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0(6) . . ?
C37 C36 H36 120.0 . . ?
C34 C39 H39 120.0 . . ?
C34 C39 C38 120.0(7) . . ?
C38 C39 H39 120.0 . . ?
C36 C37 H37 120.3 . . ?
C36 C37 C38 119.4(6) . . ?
C38 C37 H37 120.3 . . ?
C60 C61 H61 120.1 . . ?
C62 C61 C60 119.9(6) . . ?
C62 C61 H61 120.1 . . ?
C63 C62 H62 119.6 . . ?
C61 C62 C63 120.9(7) . . ?
C61 C62 H62 119.6 . . ?
C16 C21 H21 120.2 . . ?
C16 C21 C20 119.5(9) . . ?
C20 C21 H21 120.2 . . ?
C33 C28 C27 114.3(10) . . ?
C33 C28 C1AA 131.4(11) . . ?
C1AA C28 C27 114.3(10) . . ?
C39 C38 H38 119.4 . . ?
C37 C38 C39 121.2(7) . . ?
C37 C38 H38 119.4 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.6(9) . . ?
C18 C17 H17 119.7 . . ?
C26 C25 H25 114.6 . . ?
C26 C25 C24 130.8(11) . . ?
C24 C25 H25 114.6 . . ?
C21 C20 H20 119.7 . . ?
C19 C20 C21 120.6(9) . . ?
C19 C20 H20 119.7 . . ?
C20 C19 C22 118.9(15) . . ?
C18 C19 C20 118.9(9) . . ?
C18 C19 C22 122.0(16) . . ?
C25 C26 H26 122.6 . . ?
C25 C26 C27 114.8(10) . . ?
C27 C26 H26 122.6 . . ?
C33 C32 H32 124.6 . . ?
C31 C32 H32 124.6 . . ?
C31 C32 C33 110.8(10) . . ?
C28 C33 C32 107.6(11) . . ?
C24 C33 C28 148(2) . . ?
C24 C33 C32 103.9(17) . . ?
C32 C31 H31 118.9 . . ?
C32 C31 C30 122.2(13) . . ?
C30 C31 H31 118.9 . . ?
C17 C18 H18 118.8 . . ?
C19 C18 C17 122.3(10) . . ?
C19 C18 H18 118.8 . . ?
C28 C27 H27 123.4 . . ?
C26 C27 C28 113.2(9) . . ?
C26 C27 H27 123.4 . . ?
C24 C23 H23A 103.3 . . ?
C22 C23 H23A 103.3 . . ?
C22 C23 C24 153.4(18) . . ?
C33 C24 C25 98.5(16) . . ?
C33 C24 C23 144(3) . . ?
C23 C24 C25 117.1(16) . . ?
C31 C30 H30 109.5 . . ?
C1AA C30 C31 141(2) . . ?
C1AA C30 H30 109.5 . . ?
C19 C22 H23B 105.2 . . ?
C23 C22 C19 149.5(16) . . ?
C23 C22 H23B 105.2 . . ?
Cl00 C0AA Cl00 107.0(9) . 3_566 ?
Cl00 C0AA H0AA 110.3 . . ?
Cl00 C0AA H0AA 110.3 3_566 . ?
Cl00 C0AA H0AB 110.3 . . ?
Cl00 C0AA H0AB 110.3 3_566 . ?
H0AA C0AA H0AB 108.6 . . ?
C28 C1AA H1AA 126.7 . . ?
C30 C1AA C28 106.5(18) . . ?
C30 C1AA H1AA 126.7 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_THETM01_Complex_3           
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550 Calculated sin(theta_max)/wavelength = 0.5067 
RESPONSE: Crystals diffracted poorly. Multiple attempts 
were made to grow better diffracting crystals. Moreover 
the data was collected at room temperature.
;
_vrf_PLAT213_Complex_3           
;
PROBLEM: Atom C22 has ADP max/min Ratio ..... 5.7 prolat. Atom C24 has ADP max/min Ratio ..... 5.5 prolat
RESPONSE: Napthalene ring is not ideally shaped. However, 
there is no ambiguity in atom assignment. Crystals 
diffracted poorly. Multiple attempts were made to grow 
better diffracting crystals. Moreover the data was collected 
at room temperature.
;
_vrf_PLAT241_Complex_3           
;
PROBLEM: High ?MainMol? Ueq as Compared to Neighbors of C22 Check
RESPONSE: Napthalene ring is not ideally shaped. However, 
there is no ambiguity in atom assignment. Crystals 
diffracted poorly.
;
_vrf_PLAT242_Complex_3           
;
PROBLEM: Low ?MainMol? Ueq as Compared to Neighbors of C23 Check
RESPONSE: Napthalene ring is not ideally shaped. However, 
there is no ambiguity in atom assignment. Crystals 
diffracted poorly.
;
_vrf_PLAT369_Complex_3           
;
PROBLEM: Long C(sp2)-C(sp2) Bond C24 - C25 . 1.65 Ang. Long C(sp2)-C(sp2) Bond C32 - C33 . 1.75 Ang.
RESPONSE: Napthalene ring is not ideally shaped. However, 
there is no ambiguity in atom assignment. Crystals 
diffracted poorly. Moreover the data was collected 
at room temperature.
;
# end Validation Reply Form
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM and hexanes'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex_3
_database_code_depnum_ccdc_archive 'CCDC 1828215'
_audit_update_record             
;
2018-06-07 deposited with the CCDC.
2018-06-29 downloaded from the CCDC.
;
_audit_creation_date             2018-05-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C69 H53 Cl N3 P2 Ru, F6 P, C H2 Cl'
_chemical_formula_sum            'C69 H0.25 Cl F7 N3 P3 Ru'
_chemical_formula_weight         1233.40
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   14.489(4)
_cell_length_b                   17.629(5)
_cell_length_c                   23.036(7)
_cell_angle_alpha                90
_cell_angle_beta                 97.774(8)
_cell_angle_gamma                90
_cell_volume                     5830(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8921
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.419
_cell_measurement_theta_min      2.312
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.464
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_correction_T_min  0.670462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2004/1 (Bruker,2004) was used for absorption correction.
R(int) was 0.1052 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.6705.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   SADABS
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2417
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47182
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        21.110
_diffrn_reflns_theta_max         21.110
_diffrn_reflns_theta_min         1.418
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5121
_reflns_number_total             6327
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.34A (Bruker, 200?)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.680
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     746
_refine_ls_number_reflns         6327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0584
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0888P)²+25.9756P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1535
_refine_ls_wR_factor_ref         0.1661
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C0AA(H0AA,H0AB)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C7(H7), C15(H15), C1(H1), C41(H41), C12(H12), C14(H14), C57(H57),
 C4(H4), C2(H2), C13(H13), C59(H59), C65(H65), C69(H69), C66(H66), C51(H51),
 C47(H47), C56(H56), C49(H49), C54(H54), C67(H67), C53(H53), C60(H60), C55(H55),
  C42(H42), C48(H48), C68(H68), C50(H50), C35(H35), C3(H3), C44(H44), C45(H45),
 C63(H63), C43(H43), C36(H36), C39(H39), C37(H37), C61(H61), C62(H62), C21(H21),
  C38(H38), C17(H17), C25(H25), C20(H20), C26(H26), C32(H32), C31(H31),
 C18(H18), C27(H27), C23(H23), C30(H30), C22(H22), C1AA(H1AA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.42451(3) 0.15977(3) 0.74446(2) 0.0208(2) Uani 1 1 d . . . . .
Cl0A Cl 0.51573(11) 0.04406(9) 0.76361(7) 0.0299(4) Uani 1 1 d . . . . .
P2 P 0.43557(12) 0.17286(9) 0.84926(7) 0.0226(4) Uani 1 1 d . . . . .
P1 P 0.41060(12) 0.12851(9) 0.64172(7) 0.0249(4) Uani 1 1 d . . . . .
P3 P -0.10406(19) 0.28000(16) 0.63498(12) 0.0715(8) Uani 1 1 d . . . . .
Cl00 Cl 0.0654(3) 0.4376(3) 0.49805(18) 0.158(2) Uani 1 1 d . . . . .
N2 N 0.3509(4) 0.2522(3) 0.7288(2) 0.0213(12) Uani 1 1 d . . . . .
N1 N 0.2906(3) 0.1167(3) 0.7431(2) 0.0224(13) Uani 1 1 d . . . . .
N3 N 0.5288(4) 0.2397(3) 0.7370(2) 0.0249(13) Uani 1 1 d . . . . .
F5 F 0.0033(4) 0.2711(4) 0.6463(3) 0.098(2) Uani 1 1 d . . . . .
C10 C 0.3935(4) 0.3177(3) 0.7157(3) 0.0221(15) Uani 1 1 d . . . . .
C9 C 0.3426(4) 0.3841(3) 0.7051(3) 0.0247(16) Uani 1 1 d . . . . .
H9 H 0.372022 0.428594 0.695984 0.030 Uiso 1 1 calc R . . . .
F1 F -0.0924(4) 0.3285(4) 0.5796(3) 0.109(2) Uani 1 1 d . . . . .
C7 C 0.2042(5) 0.3153(4) 0.7204(3) 0.0282(16) Uani 1 1 d . . . . .
H7 H 0.140427 0.313680 0.721910 0.034 Uiso 1 1 calc R . . . .
C5 C 0.2246(5) 0.1717(4) 0.7381(3) 0.0257(16) Uani 1 1 d . . . . .
C15 C 0.6224(5) 0.2319(4) 0.7448(3) 0.0284(16) Uani 1 1 d . . . . .
H15 H 0.647536 0.187258 0.761728 0.034 Uiso 1 1 calc R . . . .
F6 F -0.2130(4) 0.2892(4) 0.6218(3) 0.109(2) Uani 1 1 d . . . . .
C1 C 0.2646(5) 0.0440(4) 0.7463(3) 0.0267(16) Uani 1 1 d . . . . .
H1 H 0.310101 0.006444 0.749527 0.032 Uiso 1 1 calc R . . . .
C11 C 0.4939(4) 0.3092(3) 0.7167(3) 0.0216(15) Uani 1 1 d . . . . .
C46 C 0.3562(5) 0.2078(4) 0.5978(3) 0.0287(17) Uani 1 1 d . . . . .
C41 C 0.6019(5) 0.1100(3) 0.6364(3) 0.0294(17) Uani 1 1 d . . . . .
H41 H 0.610497 0.117661 0.676694 0.035 Uiso 1 1 calc R . . . .
C8 C 0.2470(5) 0.3838(4) 0.7083(3) 0.0280(16) Uani 1 1 d . . . . .
C12 C 0.5515(5) 0.3654(4) 0.6995(3) 0.0295(17) Uani 1 1 d . . . . .
H12 H 0.526539 0.411132 0.684648 0.035 Uiso 1 1 calc R . . . .
C6 C 0.2577(4) 0.2498(4) 0.7302(3) 0.0258(16) Uani 1 1 d . . . . .
C14 C 0.6823(5) 0.2857(4) 0.7294(3) 0.0326(17) Uani 1 1 d . . . . .
H14 H 0.746263 0.277496 0.735372 0.039 Uiso 1 1 calc R . . . .
C64 C 0.3753(4) 0.2567(4) 0.8735(3) 0.0243(16) Uani 1 1 d . . . . .
C58 C 0.5501(5) 0.1820(4) 0.8937(3) 0.0278(17) Uani 1 1 d . . . . .
C57 C 0.2891(5) 0.0801(4) 0.8754(3) 0.0280(16) Uani 1 1 d . . . . .
H57 H 0.250424 0.115345 0.854159 0.034 Uiso 1 1 calc R . . . .
C4 C 0.1309(5) 0.1538(4) 0.7375(3) 0.041(2) Uani 1 1 d . . . . .
H4 H 0.086224 0.191994 0.735011 0.049 Uiso 1 1 calc R . . . .
C2 C 0.1730(5) 0.0231(4) 0.7450(3) 0.0359(18) Uani 1 1 d . . . . .
H2 H 0.157071 -0.027901 0.747054 0.043 Uiso 1 1 calc R . . . .
C16 C 0.1913(5) 0.4539(4) 0.6975(3) 0.0340(18) Uani 1 1 d . . . . .
C13 C 0.6458(5) 0.3529(4) 0.7046(3) 0.0341(18) Uani 1 1 d . . . . .
H13 H 0.684893 0.389160 0.691558 0.041 Uiso 1 1 calc R . . . .
C52 C 0.3844(5) 0.0914(3) 0.8833(3) 0.0250(16) Uani 1 1 d . . . . .
C59 C 0.5609(5) 0.2236(4) 0.9461(3) 0.0317(17) Uani 1 1 d . . . . .
H59 H 0.509938 0.248689 0.957644 0.038 Uiso 1 1 calc R . . . .
C65 C 0.3059(5) 0.2546(4) 0.9099(3) 0.0299(17) Uani 1 1 d . . . . .
H65 H 0.285563 0.208172 0.922620 0.036 Uiso 1 1 calc R . . . .
C69 C 0.4051(5) 0.3275(4) 0.8560(3) 0.0278(17) Uani 1 1 d . . . . .
H69 H 0.451864 0.330114 0.832089 0.033 Uiso 1 1 calc R . . . .
C66 C 0.2671(5) 0.3213(4) 0.9274(3) 0.0370(18) Uani 1 1 d . . . . .
H66 H 0.220555 0.319434 0.951436 0.044 Uiso 1 1 calc R . . . .
C51 C 0.2624(5) 0.2260(4) 0.5955(3) 0.0322(17) Uani 1 1 d . . . . .
H51 H 0.223129 0.193093 0.612019 0.039 Uiso 1 1 calc R . . . .
C47 C 0.4134(5) 0.2605(4) 0.5740(3) 0.0296(17) Uani 1 1 d . . . . .
H47 H 0.476808 0.250789 0.575921 0.036 Uiso 1 1 calc R . . . .
C56 C 0.2500(5) 0.0166(4) 0.8988(3) 0.0384(19) Uani 1 1 d . . . . .
H56 H 0.185726 0.009964 0.892967 0.046 Uiso 1 1 calc R . . . .
C49 C 0.2835(6) 0.3427(4) 0.5457(3) 0.044(2) Uani 1 1 d . . . . .
H49 H 0.259174 0.387490 0.528596 0.052 Uiso 1 1 calc R . . . .
C54 C 0.4005(6) -0.0251(4) 0.9388(3) 0.0408(19) Uani 1 1 d . . . . .
H54 H 0.438656 -0.060211 0.960602 0.049 Uiso 1 1 calc R . . . .
C67 C 0.2968(5) 0.3899(4) 0.9094(3) 0.0370(19) Uani 1 1 d . . . . .
H67 H 0.270327 0.434402 0.921160 0.044 Uiso 1 1 calc R . . . .
C53 C 0.4406(5) 0.0377(4) 0.9155(3) 0.0327(17) Uani 1 1 d . . . . .
H53 H 0.504898 0.043907 0.921383 0.039 Uiso 1 1 calc R . . . .
C40 C 0.5131(5) 0.1095(3) 0.6060(3) 0.0267(16) Uani 1 1 d . . . . .
C60 C 0.6460(6) 0.2277(4) 0.9807(3) 0.0393(19) Uani 1 1 d . . . . .
H60 H 0.651989 0.255170 1.015474 0.047 Uiso 1 1 calc R . . . .
C55 C 0.3058(6) -0.0363(4) 0.9303(3) 0.0414(19) Uani 1 1 d . . . . .
H55 H 0.279885 -0.078960 0.945564 0.050 Uiso 1 1 calc R . . . .
C42 C 0.6787(5) 0.0993(4) 0.6070(3) 0.0358(18) Uani 1 1 d . . . . .
H42 H 0.738390 0.100152 0.627762 0.043 Uiso 1 1 calc R . . . .
C48 C 0.3769(6) 0.3264(4) 0.5479(3) 0.0389(19) Uani 1 1 d . . . . .
H48 H 0.415717 0.360122 0.531647 0.047 Uiso 1 1 calc R . . . .
C68 C 0.3663(5) 0.3934(4) 0.8737(3) 0.0344(18) Uani 1 1 d . . . . .
H68 H 0.386608 0.440180 0.861650 0.041 Uiso 1 1 calc R . . . .
C34 C 0.3424(5) 0.0410(4) 0.6221(3) 0.0295(17) Uani 1 1 d . . . . .
C50 C 0.2265(5) 0.2920(4) 0.5691(3) 0.0379(19) Uani 1 1 d . . . . .
H50 H 0.163196 0.302228 0.567132 0.045 Uiso 1 1 calc R . . . .
C35 C 0.3842(5) -0.0272(4) 0.6425(3) 0.0326(17) Uani 1 1 d . . . . .
H35 H 0.444253 -0.026226 0.662690 0.039 Uiso 1 1 calc R . . . .
C3 C 0.1049(5) 0.0779(4) 0.7407(4) 0.048(2) Uani 1 1 d . . . . .
H3 H 0.042622 0.064653 0.739883 0.057 Uiso 1 1 calc R . . . .
C44 C 0.5790(6) 0.0841(4) 0.5171(3) 0.046(2) Uani 1 1 d . . . . .
H44 H 0.571433 0.073877 0.477118 0.056 Uiso 1 1 calc R . . . .
C45 C 0.5016(5) 0.0959(4) 0.5452(3) 0.0348(18) Uani 1 1 d . . . . .
H45 H 0.442257 0.094891 0.524017 0.042 Uiso 1 1 calc R . . . .
C63 C 0.6278(5) 0.1451(4) 0.8779(3) 0.0379(19) Uani 1 1 d . . . . .
H63 H 0.622736 0.116541 0.843627 0.046 Uiso 1 1 calc R . . . .
C43 C 0.6671(6) 0.0876(4) 0.5481(4) 0.043(2) Uani 1 1 d . . . . .
H43 H 0.718860 0.081839 0.528642 0.052 Uiso 1 1 calc R . . . .
C36 C 0.3386(5) -0.0960(4) 0.6333(3) 0.0373(19) Uani 1 1 d . . . . .
H36 H 0.368667 -0.140669 0.646501 0.045 Uiso 1 1 calc R . . . .
C39 C 0.2553(5) 0.0370(4) 0.5913(3) 0.045(2) Uani 1 1 d . . . . .
H39 H 0.226438 0.080849 0.575340 0.054 Uiso 1 1 calc R . . . .
F3 F -0.1038(6) 0.3507(4) 0.6751(3) 0.139(3) Uani 1 1 d . . . . .
C37 C 0.2509(6) -0.0984(4) 0.6053(3) 0.044(2) Uani 1 1 d . . . . .
H37 H 0.219022 -0.144262 0.600796 0.053 Uiso 1 1 calc R . . . .
C61 C 0.7215(6) 0.1916(4) 0.9641(3) 0.044(2) Uani 1 1 d . . . . .
H61 H 0.778896 0.194787 0.987574 0.052 Uiso 1 1 calc R . . . .
C62 C 0.7133(5) 0.1510(5) 0.9136(3) 0.046(2) Uani 1 1 d . . . . .
H62 H 0.765317 0.126810 0.902650 0.055 Uiso 1 1 calc R . . . .
C21 C 0.2233(6) 0.5224(4) 0.7220(4) 0.060(3) Uani 1 1 d . . . . .
H21 H 0.279246 0.524391 0.747069 0.073 Uiso 1 1 calc R . . . .
C28 C -0.0450(5) 0.9078(4) 0.5823(4) 0.049(2) Uani 1 1 d . . . . .
C38 C 0.2089(6) -0.0329(5) 0.5837(4) 0.055(2) Uani 1 1 d . . . . .
H38 H 0.148767 -0.034781 0.563582 0.066 Uiso 1 1 calc R . . . .
F2 F -0.1152(5) 0.2282(5) 0.6901(4) 0.150(3) Uani 1 1 d . . . . .
F4 F -0.1136(6) 0.2071(5) 0.5955(5) 0.171(4) Uani 1 1 d . . . . .
C17 C 0.1075(6) 0.4547(5) 0.6609(4) 0.057(2) Uani 1 1 d . . . . .
H17 H 0.084056 0.409764 0.643614 0.068 Uiso 1 1 calc R . . . .
C25 C 0.0063(7) 0.7788(6) 0.5348(4) 0.075(3) Uani 1 1 d . . . . .
H25 H 0.022626 0.731708 0.521056 0.091 Uiso 1 1 calc R . . . .
C20 C 0.1710(9) 0.5886(5) 0.7088(7) 0.105(5) Uani 1 1 d . . . . .
H20 H 0.192148 0.634331 0.725848 0.126 Uiso 1 1 calc R . . . .
C19 C 0.0888(9) 0.5869(7) 0.6709(7) 0.111(6) Uani 1 1 d . . . . .
C26 C -0.0220(7) 0.8315(6) 0.4924(5) 0.075(3) Uani 1 1 d . . . . .
H26 H -0.022243 0.821626 0.452697 0.090 Uiso 1 1 calc R . . . .
C32 C -0.0070(7) 0.8582(9) 0.6852(5) 0.088(4) Uani 1 1 d . . . . .
H32 H 0.015537 0.822730 0.713507 0.105 Uiso 1 1 calc R . . . .
C33 C -0.0119(7) 0.8469(6) 0.6112(7) 0.103(5) Uani 1 1 d . . . . .
C31 C -0.0397(7) 0.9236(8) 0.6951(5) 0.083(3) Uani 1 1 d . . . . .
H31 H -0.044716 0.933689 0.734193 0.099 Uiso 1 1 calc R . . . .
C18 C 0.0586(7) 0.5205(8) 0.6496(5) 0.094(4) Uani 1 1 d . . . . .
H18 H 0.001427 0.518489 0.625845 0.113 Uiso 1 1 calc R . . . .
C27 C -0.0520(6) 0.9050(9) 0.5141(7) 0.121(6) Uani 1 1 d . . . . .
H27 H -0.072777 0.945343 0.489735 0.145 Uiso 1 1 calc R . . . .
C23 C 0.0482(9) 0.7187(6) 0.6409(6) 0.110(5) Uani 1 1 d . . . . .
H23 H 0.086701 0.734133 0.674378 0.132 Uiso 1 1 calc R . . . .
C24 C 0.0141(10) 0.7855(8) 0.5956(6) 0.108(4) Uiso 1 1 d . . . . .
C30 C -0.0700(11) 0.9843(10) 0.6545(8) 0.139(5) Uiso 1 1 d . . . . .
H30 H -0.088217 1.030091 0.669441 0.167 Uiso 1 1 calc R . . . .
C22 C 0.0323(13) 0.6549(10) 0.6383(8) 0.149(6) Uiso 1 1 d . . . . .
H22 H -0.021266 0.641178 0.613507 0.179 Uiso 1 1 calc R . . . .
C0AA C 0.0683(16) 0.5262(10) 0.4981(7) 0.190(10) Uani 1 1 d . . . . .
H0AA H 0.090156 0.544779 0.462705 0.228 Uiso 1 1 calc R . . . .
H0AB H 0.109866 0.544636 0.531671 0.228 Uiso 1 1 calc R . . . .
C1AA C -0.0723(10) 0.9782(9) 0.6060(8) 0.134(5) Uiso 1 1 d . . . . .
H1AA H -0.091739 1.018511 0.581232 0.161 Uiso 1 1 calc R . . . .


_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 Cl0A 2.4382(17) . ?
Ru1 P2 2.4088(18) . ?
Ru1 P1 2.4117(18) . ?
Ru1 N2 1.954(5) . ?
Ru1 N1 2.079(5) . ?
Ru1 N3 2.091(5) . ?
P2 C64 1.843(6) . ?
P2 C58 1.836(7) . ?
P2 C52 1.839(6) . ?
P1 C46 1.840(7) . ?
P1 C40 1.823(7) . ?
P1 C34 1.854(7) . ?
P3 F5 1.550(6) . ?
P3 F1 1.563(6) . ?
P3 F6 1.576(6) . ?
P3 F3 1.551(7) . ?
P3 F2 1.591(7) . ?
P3 F4 1.569(8) . ?
Cl00 C0AA 2.05(2) 3_566 ?
Cl00 C0AA 1.562(16) . ?
N2 C10 1.362(8) . ?
N2 C6 1.356(8) . ?
N1 C5 1.357(8) . ?
N1 C1 1.341(8) . ?
N3 C15 1.351(8) . ?
N3 C11 1.382(8) . ?
C10 C9 1.387(9) . ?
C10 C11 1.459(9) . ?
C9 H9 0.9300 . ?
C9 C8 1.397(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.403(9) . ?
C7 C6 1.392(9) . ?
C5 C6 1.477(9) . ?
C5 C4 1.392(10) . ?
C15 H15 0.9300 . ?
C15 C14 1.364(9) . ?
C1 H1 0.9300 . ?
C1 C2 1.375(9) . ?
C11 C12 1.388(9) . ?
C46 C51 1.390(9) . ?
C46 C47 1.403(9) . ?
C41 H41 0.9300 . ?
C41 C40 1.379(9) . ?
C41 C42 1.392(9) . ?
C8 C16 1.479(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.373(9) . ?
C14 H14 0.9300 . ?
C14 C13 1.389(10) . ?
C64 C65 1.394(9) . ?
C64 C69 1.398(9) . ?
C58 C59 1.403(9) . ?
C58 C63 1.391(10) . ?
C57 H57 0.9300 . ?
C57 C52 1.383(9) . ?
C57 C56 1.395(9) . ?
C4 H4 0.9300 . ?
C4 C3 1.395(10) . ?
C2 H2 0.9300 . ?
C2 C3 1.375(10) . ?
C16 C21 1.386(11) . ?
C16 C17 1.381(11) . ?
C13 H13 0.9300 . ?
C52 C53 1.395(9) . ?
C59 H59 0.9300 . ?
C59 C60 1.376(10) . ?
C65 H65 0.9300 . ?
C65 C66 1.387(9) . ?
C69 H69 0.9300 . ?
C69 C68 1.376(9) . ?
C66 H66 0.9300 . ?
C66 C67 1.366(10) . ?
C51 H51 0.9300 . ?
C51 C50 1.381(10) . ?
C47 H47 0.9300 . ?
C47 C48 1.381(10) . ?
C56 H56 0.9300 . ?
C56 C55 1.376(10) . ?
C49 H49 0.9300 . ?
C49 C48 1.379(11) . ?
C49 C50 1.375(10) . ?
C54 H54 0.9300 . ?
C54 C53 1.391(10) . ?
C54 C55 1.374(10) . ?
C67 H67 0.9300 . ?
C67 C68 1.384(10) . ?
C53 H53 0.9300 . ?
C40 C45 1.409(9) . ?
C60 H60 0.9300 . ?
C60 C61 1.364(11) . ?
C55 H55 0.9300 . ?
C42 H42 0.9300 . ?
C42 C43 1.361(10) . ?
C48 H48 0.9300 . ?
C68 H68 0.9300 . ?
C34 C35 1.398(9) . ?
C34 C39 1.364(10) . ?
C50 H50 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.384(10) . ?
C3 H3 0.9300 . ?
C44 H44 0.9300 . ?
C44 C45 1.384(10) . ?
C44 C43 1.377(11) . ?
C45 H45 0.9300 . ?
C63 H63 0.9300 . ?
C63 C62 1.395(10) . ?
C43 H43 0.9300 . ?
C36 H36 0.9300 . ?
C36 C37 1.346(10) . ?
C39 H39 0.9300 . ?
C39 C38 1.405(10) . ?
C37 H37 0.9300 . ?
C37 C38 1.367(11) . ?
C61 H61 0.9300 . ?
C61 C62 1.358(11) . ?
C62 H62 0.9300 . ?
C21 H21 0.9300 . ?
C21 C20 1.403(14) . ?
C28 C33 1.318(12) . ?
C28 C27 1.563(16) . ?
C28 C1AA 1.433(17) . ?
C38 H38 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.366(13) . ?
C25 H25 0.9300 . ?
C25 C26 1.371(14) . ?
C25 C24 1.395(16) . ?
C20 H20 0.9300 . ?
C20 C19 1.378(18) . ?
C19 C18 1.321(18) . ?
C19 C22 1.583(19) . ?
C26 H26 0.9300 . ?
C26 C27 1.475(17) . ?
C32 H32 0.9300 . ?
C32 C33 1.709(18) . ?
C32 C31 1.278(15) . ?
C33 C24 1.217(16) . ?
C31 H31 0.9300 . ?
C31 C30 1.450(18) . ?
C18 H18 0.9300 . ?
C27 H27 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.604(17) . ?
C23 C22 1.150(17) . ?
C30 H30 0.9300 . ?
C30 C1AA 1.120(18) . ?
C22 H22 0.9300 . ?
C0AA H0AA 0.9700 . ?
C0AA H0AB 0.9700 . ?
C1AA H1AA 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
P2 Ru1 Cl0A 86.43(6) . . ?
P2 Ru1 P1 172.21(6) . . ?
P1 Ru1 Cl0A 87.58(6) . . ?
N2 Ru1 Cl0A 179.69(16) . . ?
N2 Ru1 P2 93.76(14) . . ?
N2 Ru1 P1 92.21(14) . . ?
N2 Ru1 N1 79.4(2) . . ?
N2 Ru1 N3 78.8(2) . . ?
N1 Ru1 Cl0A 100.32(14) . . ?
N1 Ru1 P2 89.15(14) . . ?
N1 Ru1 P1 87.03(14) . . ?
N1 Ru1 N3 158.2(2) . . ?
N3 Ru1 Cl0A 101.46(15) . . ?
N3 Ru1 P2 93.85(14) . . ?
N3 Ru1 P1 92.22(14) . . ?
C64 P2 Ru1 114.3(2) . . ?
C58 P2 Ru1 120.0(2) . . ?
C58 P2 C64 100.9(3) . . ?
C58 P2 C52 102.5(3) . . ?
C52 P2 Ru1 112.1(2) . . ?
C52 P2 C64 105.2(3) . . ?
C46 P1 Ru1 109.8(2) . . ?
C46 P1 C34 108.9(3) . . ?
C40 P1 Ru1 121.3(2) . . ?
C40 P1 C46 101.9(3) . . ?
C40 P1 C34 100.2(3) . . ?
C34 P1 Ru1 113.6(2) . . ?
F5 P3 F1 88.6(4) . . ?
F5 P3 F6 178.6(4) . . ?
F5 P3 F3 93.4(5) . . ?
F5 P3 F2 90.9(4) . . ?
F5 P3 F4 91.3(4) . . ?
F1 P3 F6 90.1(4) . . ?
F1 P3 F2 178.1(5) . . ?
F1 P3 F4 89.2(5) . . ?
F6 P3 F2 90.3(4) . . ?
F3 P3 F1 93.1(4) . . ?
F3 P3 F6 87.4(5) . . ?
F3 P3 F2 88.7(5) . . ?
F3 P3 F4 174.8(5) . . ?
F4 P3 F6 88.0(4) . . ?
F4 P3 F2 89.0(6) . . ?
C0AA Cl00 C0AA 73.5(10) . 3_566 ?
C10 N2 Ru1 119.7(4) . . ?
C6 N2 Ru1 119.4(4) . . ?
C6 N2 C10 121.0(5) . . ?
C5 N1 Ru1 112.7(4) . . ?
C1 N1 Ru1 128.1(4) . . ?
C1 N1 C5 119.2(5) . . ?
C15 N3 Ru1 130.1(4) . . ?
C15 N3 C11 116.8(5) . . ?
C11 N3 Ru1 112.9(4) . . ?
N2 C10 C9 120.5(6) . . ?
N2 C10 C11 113.0(5) . . ?
C9 C10 C11 126.4(6) . . ?
C10 C9 H9 120.2 . . ?
C10 C9 C8 119.6(6) . . ?
C8 C9 H9 120.2 . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C6 C7 C8 119.7(6) . . ?
N1 C5 C6 116.1(6) . . ?
N1 C5 C4 121.0(6) . . ?
C4 C5 C6 122.9(6) . . ?
N3 C15 H15 118.1 . . ?
N3 C15 C14 123.8(6) . . ?
C14 C15 H15 118.1 . . ?
N1 C1 H1 118.9 . . ?
N1 C1 C2 122.2(6) . . ?
C2 C1 H1 118.9 . . ?
N3 C11 C10 114.5(5) . . ?
N3 C11 C12 121.4(6) . . ?
C12 C11 C10 124.1(6) . . ?
C51 C46 P1 122.7(5) . . ?
C51 C46 C47 117.3(6) . . ?
C47 C46 P1 119.0(5) . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.4(6) . . ?
C42 C41 H41 119.8 . . ?
C9 C8 C7 118.8(6) . . ?
C9 C8 C16 120.7(6) . . ?
C7 C8 C16 120.4(6) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.5(6) . . ?
C13 C12 H12 120.3 . . ?
N2 C6 C7 120.3(6) . . ?
N2 C6 C5 111.9(5) . . ?
C7 C6 C5 127.6(6) . . ?
C15 C14 H14 120.6 . . ?
C15 C14 C13 118.7(7) . . ?
C13 C14 H14 120.6 . . ?
C65 C64 P2 124.8(5) . . ?
C65 C64 C69 118.3(6) . . ?
C69 C64 P2 116.8(5) . . ?
C59 C58 P2 120.9(5) . . ?
C63 C58 P2 121.0(5) . . ?
C63 C58 C59 118.1(6) . . ?
C52 C57 H57 119.5 . . ?
C52 C57 C56 121.0(6) . . ?
C56 C57 H57 119.5 . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.1(7) . . ?
C3 C4 H4 120.4 . . ?
C1 C2 H2 120.2 . . ?
C1 C2 C3 119.6(6) . . ?
C3 C2 H2 120.2 . . ?
C21 C16 C8 120.9(7) . . ?
C17 C16 C8 121.8(7) . . ?
C17 C16 C21 117.3(7) . . ?
C12 C13 C14 119.4(6) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C57 C52 P2 120.7(5) . . ?
C57 C52 C53 118.2(6) . . ?
C53 C52 P2 121.1(5) . . ?
C58 C59 H59 119.6 . . ?
C60 C59 C58 120.8(7) . . ?
C60 C59 H59 119.6 . . ?
C64 C65 H65 119.9 . . ?
C66 C65 C64 120.3(6) . . ?
C66 C65 H65 119.9 . . ?
C64 C69 H69 119.6 . . ?
C68 C69 C64 120.9(6) . . ?
C68 C69 H69 119.6 . . ?
C65 C66 H66 119.8 . . ?
C67 C66 C65 120.4(7) . . ?
C67 C66 H66 119.8 . . ?
C46 C51 H51 119.4 . . ?
C50 C51 C46 121.3(7) . . ?
C50 C51 H51 119.4 . . ?
C46 C47 H47 119.5 . . ?
C48 C47 C46 121.0(7) . . ?
C48 C47 H47 119.5 . . ?
C57 C56 H56 119.7 . . ?
C55 C56 C57 120.5(7) . . ?
C55 C56 H56 119.7 . . ?
C48 C49 H49 120.4 . . ?
C50 C49 H49 120.4 . . ?
C50 C49 C48 119.3(7) . . ?
C53 C54 H54 119.3 . . ?
C55 C54 H54 119.3 . . ?
C55 C54 C53 121.3(7) . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.3(6) . . ?
C68 C67 H67 119.9 . . ?
C52 C53 H53 119.9 . . ?
C54 C53 C52 120.1(7) . . ?
C54 C53 H53 119.9 . . ?
C41 C40 P1 122.1(5) . . ?
C41 C40 C45 118.8(6) . . ?
C45 C40 P1 119.1(5) . . ?
C59 C60 H60 119.9 . . ?
C61 C60 C59 120.2(7) . . ?
C61 C60 H60 119.9 . . ?
C56 C55 H55 120.6 . . ?
C54 C55 C56 118.8(7) . . ?
C54 C55 H55 120.6 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.4(7) . . ?
C43 C42 H42 119.8 . . ?
C47 C48 H48 119.8 . . ?
C49 C48 C47 120.4(7) . . ?
C49 C48 H48 119.8 . . ?
C69 C68 C67 119.8(7) . . ?
C69 C68 H68 120.1 . . ?
C67 C68 H68 120.1 . . ?
C35 C34 P1 116.2(5) . . ?
C39 C34 P1 126.5(5) . . ?
C39 C34 C35 117.3(6) . . ?
C51 C50 H50 119.7 . . ?
C49 C50 C51 120.6(7) . . ?
C49 C50 H50 119.7 . . ?
C34 C35 H35 119.1 . . ?
C36 C35 C34 121.8(7) . . ?
C36 C35 H35 119.1 . . ?
C4 C3 H3 120.6 . . ?
C2 C3 C4 118.8(7) . . ?
C2 C3 H3 120.6 . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.2(7) . . ?
C40 C45 H45 120.1 . . ?
C44 C45 C40 119.8(7) . . ?
C44 C45 H45 120.1 . . ?
C58 C63 H63 120.1 . . ?
C58 C63 C62 119.7(7) . . ?
C62 C63 H63 120.1 . . ?
C42 C43 C44 120.3(7) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0(7) . . ?
C37 C36 H36 120.0 . . ?
C34 C39 H39 119.9 . . ?
C34 C39 C38 120.3(7) . . ?
C38 C39 H39 119.9 . . ?
C36 C37 H37 120.2 . . ?
C36 C37 C38 119.6(7) . . ?
C38 C37 H37 120.2 . . ?
C60 C61 H61 119.8 . . ?
C62 C61 C60 120.3(7) . . ?
C62 C61 H61 119.8 . . ?
C63 C62 H62 119.6 . . ?
C61 C62 C63 120.8(7) . . ?
C61 C62 H62 119.6 . . ?
C16 C21 H21 120.2 . . ?
C16 C21 C20 119.7(10) . . ?
C20 C21 H21 120.2 . . ?
C33 C28 C27 116.8(11) . . ?
C33 C28 C1AA 127.9(12) . . ?
C1AA C28 C27 115.2(11) . . ?
C39 C38 H38 119.5 . . ?
C37 C38 C39 120.9(7) . . ?
C37 C38 H38 119.5 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(10) . . ?
C18 C17 H17 119.5 . . ?
C26 C25 H25 115.3 . . ?
C26 C25 C24 129.4(12) . . ?
C24 C25 H25 115.3 . . ?
C21 C20 H20 119.5 . . ?
C19 C20 C21 120.9(10) . . ?
C19 C20 H20 119.5 . . ?
C20 C19 C22 129.2(14) . . ?
C18 C19 C20 118.0(9) . . ?
C18 C19 C22 111.7(15) . . ?
C25 C26 H26 122.3 . . ?
C25 C26 C27 115.3(11) . . ?
C27 C26 H26 122.3 . . ?
C33 C32 H32 125.8 . . ?
C31 C32 H32 125.8 . . ?
C31 C32 C33 108.5(11) . . ?
C28 C33 C32 111.8(11) . . ?
C24 C33 C28 133.1(16) . . ?
C24 C33 C32 115.1(12) . . ?
C32 C31 H31 115.2 . . ?
C32 C31 C30 129.6(13) . . ?
C30 C31 H31 115.2 . . ?
C17 C18 H18 118.5 . . ?
C19 C18 C17 123.0(12) . . ?
C19 C18 H18 118.5 . . ?
C28 C27 H27 123.6 . . ?
C26 C27 C28 112.7(9) . . ?
C26 C27 H27 123.6 . . ?
C24 C23 H23 115.0 . . ?
C22 C23 H23 115.0 . . ?
C22 C23 C24 130.0(15) . . ?
C25 C24 C23 124.5(12) . . ?
C33 C24 C25 112.6(14) . . ?
C33 C24 C23 122.8(13) . . ?
C31 C30 H30 118.7 . . ?
C1AA C30 C31 122.7(18) . . ?
C1AA C30 H30 118.7 . . ?
C19 C22 H22 115.5 . . ?
C23 C22 C19 129.0(18) . . ?
C23 C22 H22 115.5 . . ?
Cl00 C0AA Cl00 106.5(10) . 3_566 ?
Cl00 C0AA H0AA 110.4 . . ?
Cl00 C0AA H0AA 110.4 3_566 . ?
Cl00 C0AA H0AB 110.4 . . ?
Cl00 C0AA H0AB 110.4 3_566 . ?
H0AA C0AA H0AB 108.6 . . ?
C28 C1AA H1AA 120.4 . . ?
C30 C1AA C28 119.3(18) . . ?
C30 C1AA H1AA 120.4 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_THETM01_Complex_3           
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550 
Calculated sin(theta_max)/wavelength = 0.5067
RESPONSE: Crystals diffracted poorly. 
Multiple attempts were made to grow better diffracting crystals. 
Moreover the data was collected at room temperature.
;
_vrf_PLAT369_Complex_3           
;
PROBLEM: Long C(sp2)-C(sp2) Bond C32 - C33 1.71 Ang.
RESPONSE: Napthalene ring is not ideally shaped. 
However, there is no ambiguity in atom assignment. 
Crystals diffracted poorly. Moreover the data was 
collected at room temperature.
;
# end Validation Reply Form
