# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# 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. 
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data_art_m_p4_f_pf6_ch3cn
_database_code_depnum_ccdc_archive 'CCDC 2143051'
loop_
_audit_author_name
_audit_author_address
'Aleksandr S. Sukhikh '
;Nikolaev Institute of Inorganic Chemistry
Russia
;
_audit_update_record             
;
2022-05-18 deposited with the CCDC.	2022-05-25 downloaded from the CCDC.
;
_audit_creation_date             2022-05-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C20 H20 F N5 O Ru), 4(F6 P), 3(C2 H3 N)'
_chemical_formula_sum            'C46 H49 F26 N13 O2 P4 Ru2'
_chemical_formula_weight         1636.00
_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'
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'
O O 0.0106 0.0060 '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      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                   20.7752(13)
_cell_length_b                   15.3676(9)
_cell_length_c                   19.9513(9)
_cell_angle_alpha                90
_cell_angle_beta                 99.0464(15)
_cell_angle_gamma                90
_cell_volume                     6290.5(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7054
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      23.97
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.920
_exptl_absorpt_coefficient_mu    0.708
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1438 before and 0.0750 after correction.
The Ratio of minimum to maximum transmission is 0.8650.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3256
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1148
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            61086
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        24.427
_diffrn_reflns_theta_max         24.427
_diffrn_reflns_theta_min         1.681
_diffrn_ambient_temperature      150.0(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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                7126
_reflns_number_total             10293
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.049
_refine_diff_density_min         -0.732
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     841
_refine_ls_number_reflns         10293
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0579
_refine_ls_restrained_S_all      1.016
_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)+(0.0648P)²+23.7572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1576
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C21(H21), C31(H31), C41(H41), C51(H51), C161(H161), C171(H171),
 C181(H181), C191(H191), C201(H201), C111(H111), C121(H121), C131(H131),
 C141(H141), C151(H151), C61(H61), C71(H71), C81(H81), C91(H91), C101(H101),
 C162(H162), C172(H172), C182(H182), C192(H192), C202(H202), C112(H112),
 C122(H122), C132(H132), C142(H142), C152(H152), C62(H62), C72(H72), C82(H82),
 C92(H92), C102(H102), C12(H12), C22(H22), C32(H32), C42(H42), C52(H52)
2.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C6(H6A,H6B,H6C), C4(H4A,H4B,H4C)
;
_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 0.12769(2) 0.54648(3) 0.19318(2) 0.02379(15) Uani 1 1 d . . . . .
F11 F 0.19294(17) 0.6207(2) 0.24169(18) 0.0305(9) Uani 1 1 d . . . . .
O11 O 0.0212(2) 0.4516(4) 0.1174(3) 0.0476(14) Uani 1 1 d . . . . .
N11 N 0.0647(3) 0.4848(4) 0.1478(3) 0.0284(12) Uani 1 1 d . . . . .
N21 N 0.1438(2) 0.4647(3) 0.2771(2) 0.0262(12) Uani 1 1 d . . . . .
N51 N 0.2034(2) 0.4817(4) 0.1559(3) 0.0273(12) Uani 1 1 d . . . . .
N41 N 0.1239(2) 0.6367(4) 0.1147(3) 0.0285(12) Uani 1 1 d . . . . .
N31 N 0.0598(2) 0.6165(3) 0.2386(3) 0.0256(12) Uani 1 1 d . . . . .
C11 C 0.0957(4) 0.4196(5) 0.2996(3) 0.0363(17) Uani 1 1 d . . . . .
H11 H 0.052564 0.423222 0.275447 0.044 Uiso 1 1 calc R U . . .
C21 C 0.1079(4) 0.3685(5) 0.3566(4) 0.0437(19) Uani 1 1 d . . . . .
H21 H 0.073441 0.337048 0.371443 0.052 Uiso 1 1 calc R U . . .
C31 C 0.1696(5) 0.3629(5) 0.3919(4) 0.050(2) Uani 1 1 d . . . . .
H31 H 0.178413 0.327824 0.431474 0.060 Uiso 1 1 calc R U . . .
C41 C 0.2186(4) 0.4087(5) 0.3693(3) 0.0408(18) Uani 1 1 d . . . . .
H41 H 0.261831 0.405913 0.393405 0.049 Uiso 1 1 calc R U . . .
C51 C 0.2050(3) 0.4587(5) 0.3115(3) 0.0345(16) Uani 1 1 d . . . . .
H51 H 0.239303 0.489516 0.295621 0.041 Uiso 1 1 calc R U . . .
C161 C 0.2040(3) 0.3940(4) 0.1502(3) 0.0301(15) Uani 1 1 d . . . . .
H161 H 0.169678 0.361300 0.164149 0.036 Uiso 1 1 calc R U . . .
C171 C 0.2527(3) 0.3511(5) 0.1249(3) 0.0330(16) Uani 1 1 d . . . . .
H171 H 0.252091 0.289397 0.121438 0.040 Uiso 1 1 calc R U . . .
C181 C 0.3030(3) 0.3984(5) 0.1043(3) 0.0362(17) Uani 1 1 d . . . . .
H181 H 0.336262 0.370092 0.084864 0.043 Uiso 1 1 calc R U . . .
C191 C 0.3038(3) 0.4880(5) 0.1128(4) 0.0410(18) Uani 1 1 d . . . . .
H191 H 0.338569 0.521799 0.100853 0.049 Uiso 1 1 calc R U . . .
C201 C 0.2539(3) 0.5269(5) 0.1384(4) 0.0369(17) Uani 1 1 d . . . . .
H201 H 0.254800 0.588307 0.144249 0.044 Uiso 1 1 calc R U . . .
C111 C 0.1211(3) 0.6111(5) 0.0490(3) 0.0342(16) Uani 1 1 d . . . . .
H111 H 0.116709 0.551006 0.038246 0.041 Uiso 1 1 calc R U . . .
C121 C 0.1245(4) 0.6694(6) -0.0017(4) 0.0441(19) Uani 1 1 d . . . . .
H121 H 0.122616 0.650070 -0.047232 0.053 Uiso 1 1 calc R U . . .
C131 C 0.1308(4) 0.7566(5) 0.0137(4) 0.046(2) Uani 1 1 d . . . . .
H131 H 0.133366 0.798054 -0.021071 0.056 Uiso 1 1 calc R U . . .
C141 C 0.1332(4) 0.7834(5) 0.0800(4) 0.0408(18) Uani 1 1 d . . . . .
H141 H 0.136817 0.843256 0.091739 0.049 Uiso 1 1 calc R U . . .
C151 C 0.1302(3) 0.7208(4) 0.1284(4) 0.0322(16) Uani 1 1 d . . . . .
H151 H 0.132779 0.738816 0.174294 0.039 Uiso 1 1 calc R U . . .
C61 C 0.0022(3) 0.6426(4) 0.2032(3) 0.0293(15) Uani 1 1 d . . . . .
H61 H -0.006353 0.632246 0.155699 0.035 Uiso 1 1 calc R U . . .
C71 C -0.0445(3) 0.6836(4) 0.2337(3) 0.0323(16) Uani 1 1 d . . . . .
H71 H -0.084869 0.700438 0.207699 0.039 Uiso 1 1 calc R U . . .
C81 C -0.0319(3) 0.7000(5) 0.3023(4) 0.0370(17) Uani 1 1 d . . . . .
H81 H -0.063537 0.727722 0.324555 0.044 Uiso 1 1 calc R U . . .
C91 C 0.0272(3) 0.6755(5) 0.3381(3) 0.0358(17) Uani 1 1 d . . . . .
H91 H 0.037335 0.687431 0.385261 0.043 Uiso 1 1 calc R U . . .
C101 C 0.0713(3) 0.6341(4) 0.3053(3) 0.0318(16) Uani 1 1 d . . . . .
H101 H 0.111855 0.616875 0.330844 0.038 Uiso 1 1 calc R U . . .
Ru2 Ru 0.56359(2) 0.25917(3) 0.44237(3) 0.02472(15) Uani 1 1 d . . . . .
F12 F 0.58964(16) 0.1446(2) 0.42001(17) 0.0281(8) Uani 1 1 d . . . . .
O12 O 0.5292(3) 0.4300(4) 0.4830(3) 0.0506(14) Uani 1 1 d . . . . .
N12 N 0.5413(3) 0.3621(4) 0.4654(3) 0.0313(13) Uani 1 1 d . . . . .
N52 N 0.6104(3) 0.3061(3) 0.3637(3) 0.0286(12) Uani 1 1 d . . . . .
N42 N 0.6519(3) 0.2658(4) 0.5099(3) 0.0300(13) Uani 1 1 d . . . . .
N32 N 0.5210(3) 0.1990(4) 0.5179(3) 0.0283(12) Uani 1 1 d . . . . .
N22 N 0.4795(3) 0.2399(4) 0.3710(3) 0.0286(12) Uani 1 1 d . . . . .
C162 C 0.5882(4) 0.3777(5) 0.3278(3) 0.0382(17) Uani 1 1 d . . . . .
H162 H 0.552164 0.408710 0.339775 0.046 Uiso 1 1 calc R U . . .
C172 C 0.6169(4) 0.4063(5) 0.2744(4) 0.0455(19) Uani 1 1 d . . . . .
H172 H 0.600876 0.456573 0.249600 0.055 Uiso 1 1 calc R U . . .
C182 C 0.6697(4) 0.3609(6) 0.2571(4) 0.051(2) Uani 1 1 d . . . . .
H182 H 0.690205 0.380176 0.220420 0.061 Uiso 1 1 calc R U . . .
C192 C 0.6919(4) 0.2881(6) 0.2932(4) 0.049(2) Uani 1 1 d . . . . .
H192 H 0.728071 0.256258 0.282255 0.059 Uiso 1 1 calc R U . . .
C202 C 0.6603(3) 0.2623(5) 0.3460(4) 0.0386(17) Uani 1 1 d . . . . .
H202 H 0.674878 0.211153 0.370633 0.046 Uiso 1 1 calc R U . . .
C112 C 0.6836(3) 0.3415(5) 0.5240(4) 0.0378(17) Uani 1 1 d . . . . .
H112 H 0.667872 0.392487 0.499858 0.045 Uiso 1 1 calc R U . . .
C122 C 0.7387(4) 0.3466(6) 0.5730(4) 0.051(2) Uani 1 1 d . . . . .
H122 H 0.760717 0.400509 0.582216 0.061 Uiso 1 1 calc R U . . .
C132 C 0.7612(4) 0.2731(6) 0.6080(4) 0.048(2) Uani 1 1 d . . . . .
H132 H 0.797738 0.276025 0.643215 0.058 Uiso 1 1 calc R U . . .
C142 C 0.7303(3) 0.1951(5) 0.5917(3) 0.0390(18) Uani 1 1 d . . . . .
H142 H 0.746569 0.142870 0.613597 0.047 Uiso 1 1 calc R U . . .
C152 C 0.6752(3) 0.1938(5) 0.5428(3) 0.0350(16) Uani 1 1 d . . . . .
H152 H 0.653169 0.140201 0.532284 0.042 Uiso 1 1 calc R U . . .
C62 C 0.5312(3) 0.2288(5) 0.5822(3) 0.0338(16) Uani 1 1 d . . . . .
H62 H 0.554621 0.281495 0.592132 0.041 Uiso 1 1 calc R U . . .
C72 C 0.5084(4) 0.1849(5) 0.6341(4) 0.0414(19) Uani 1 1 d . . . . .
H72 H 0.515786 0.207684 0.678902 0.050 Uiso 1 1 calc R U . . .
C82 C 0.4749(4) 0.1079(6) 0.6207(4) 0.048(2) Uani 1 1 d . . . . .
H82 H 0.460056 0.076026 0.656168 0.057 Uiso 1 1 calc R U . . .
C92 C 0.4633(4) 0.0781(5) 0.5547(4) 0.0407(18) Uani 1 1 d . . . . .
H92 H 0.439181 0.026044 0.543911 0.049 Uiso 1 1 calc R U . . .
C102 C 0.4869(3) 0.1244(4) 0.5045(3) 0.0325(16) Uani 1 1 d . . . . .
H102 H 0.478918 0.103194 0.459219 0.039 Uiso 1 1 calc R U . . .
C12 C 0.4221(3) 0.2752(5) 0.3781(3) 0.0335(16) Uani 1 1 d . . . . .
H12 H 0.418144 0.305118 0.418886 0.040 Uiso 1 1 calc R U . . .
C22 C 0.3692(4) 0.2696(5) 0.3283(4) 0.0429(19) Uani 1 1 d . . . . .
H22 H 0.329008 0.295332 0.334630 0.051 Uiso 1 1 calc R U . . .
C32 C 0.3744(4) 0.2265(5) 0.2690(4) 0.045(2) Uani 1 1 d . . . . .
H32 H 0.338370 0.224394 0.233212 0.054 Uiso 1 1 calc R U . . .
C42 C 0.4323(3) 0.1864(5) 0.2619(3) 0.0383(18) Uani 1 1 d . . . . .
H42 H 0.436185 0.153606 0.222376 0.046 Uiso 1 1 calc R U . . .
C52 C 0.4846(3) 0.1949(5) 0.3138(3) 0.0312(16) Uani 1 1 d . . . . .
H52 H 0.525069 0.168521 0.309163 0.037 Uiso 1 1 calc R U . . .
P2 P 0.41256(10) 0.53686(14) 0.30456(10) 0.0408(5) Uani 1 1 d . . . . .
F13 F 0.4540(5) 0.5010(6) 0.2547(4) 0.156(4) Uani 1 1 d . . . . .
F14 F 0.3765(5) 0.5760(7) 0.3591(5) 0.187(5) Uani 1 1 d . . . . .
F8 F 0.3813(4) 0.5952(5) 0.2455(4) 0.150(4) Uani 1 1 d . . . . .
F9 F 0.3561(4) 0.4728(6) 0.2858(5) 0.157(4) Uani 1 1 d . . . . .
F10 F 0.4464(3) 0.4716(4) 0.3599(3) 0.098(2) Uani 1 1 d . . . . .
F7 F 0.4658(4) 0.6051(5) 0.3253(4) 0.133(3) Uani 1 1 d . . . . .
P1 P 0.34980(9) 0.37524(13) 0.54658(9) 0.0356(4) Uani 1 1 d . . . . .
F1 F 0.4224(3) 0.3565(5) 0.5430(3) 0.091(2) Uani 1 1 d . . . . .
F3 F 0.2767(3) 0.3955(7) 0.5466(4) 0.164(4) Uani 1 1 d . . . . .
F6 F 0.3250(3) 0.3026(4) 0.4935(3) 0.0904(19) Uani 1 1 d . . . . .
F4 F 0.3495(4) 0.3155(5) 0.6086(3) 0.122(3) Uani 1 1 d . . . . .
F5 F 0.3721(3) 0.4509(5) 0.5974(4) 0.117(3) Uani 1 1 d . . . . .
F2 F 0.3506(4) 0.4346(5) 0.4832(4) 0.136(3) Uani 1 1 d . . . . .
P4 P -0.11578(9) 0.41224(13) 0.23176(9) 0.0359(4) Uani 1 1 d . . . . .
F22 F -0.1102(4) 0.3642(6) 0.1648(3) 0.127(3) Uani 1 1 d . . . . .
F24 F -0.1199(4) 0.4571(7) 0.2996(4) 0.161(4) Uani 1 1 d . . . . .
F26 F -0.1666(3) 0.4738(5) 0.1913(4) 0.112(2) Uani 1 1 d . . . . .
F23 F -0.1731(3) 0.3524(5) 0.2440(4) 0.126(3) Uani 1 1 d . . . . .
F25 F -0.0642(2) 0.3477(4) 0.2728(3) 0.0810(17) Uani 1 1 d . . . . .
F21 F -0.0571(3) 0.4696(5) 0.2193(4) 0.111(3) Uani 1 1 d . . . . .
P3 P 0.07960(11) 0.31953(14) -0.00701(10) 0.0447(5) Uani 1 1 d . . . . .
F17 F 0.0373(3) 0.2390(4) -0.0384(3) 0.0778(17) Uani 1 1 d . . . . .
F15 F 0.1215(2) 0.4016(3) 0.0230(2) 0.0625(14) Uani 1 1 d . . . . .
F20 F 0.0201(2) 0.3827(3) -0.0310(2) 0.0598(13) Uani 1 1 d . . . . .
F18 F 0.0558(3) 0.3052(3) 0.0637(2) 0.0809(18) Uani 1 1 d . . . . .
F19 F 0.1414(3) 0.2587(3) 0.0169(2) 0.0712(16) Uani 1 1 d . . . . .
F16 F 0.1050(2) 0.3321(3) -0.0777(2) 0.0541(12) Uani 1 1 d . . . . .
N1 N 0.3492(4) 0.4816(6) -0.0943(5) 0.089(3) Uani 1 1 d . . . . .
C1 C 0.3068(5) 0.4392(6) -0.0904(5) 0.060(2) Uani 1 1 d . . . . .
C2 C 0.2501(5) 0.3830(7) -0.0856(5) 0.073(3) Uani 1 1 d . . . . .
H2A H 0.227367 0.370011 -0.131375 0.109 Uiso 1 1 calc R U . . .
H2B H 0.220401 0.413034 -0.059821 0.109 Uiso 1 1 calc R U . . .
H2C H 0.265016 0.328625 -0.062610 0.109 Uiso 1 1 calc R U . . .
N3 N -0.1968(4) 0.7091(7) 0.2675(6) 0.086(3) Uani 1 1 d . . . . .
C5 C -0.2181(6) 0.6479(9) 0.2813(7) 0.085(4) Uani 1 1 d . . . . .
C6 C -0.2526(7) 0.5642(9) 0.2922(9) 0.132(6) Uani 1 1 d . . . . .
H6A H -0.252601 0.526214 0.252751 0.198 Uiso 1 1 calc R U . . .
H6B H -0.297655 0.576835 0.297977 0.198 Uiso 1 1 calc R U . . .
H6C H -0.230061 0.535126 0.332923 0.198 Uiso 1 1 calc R U . . .
N2 N 0.1151(5) -0.0411(6) -0.0329(5) 0.084(3) Uani 1 1 d . . . . .
C3 C 0.1029(8) 0.0038(8) 0.0058(6) 0.104(5) Uani 1 1 d . . . . .
C4 C 0.0887(12) 0.0653(10) 0.0585(7) 0.204(11) Uani 1 1 d . . . . .
H4A H 0.071293 0.119512 0.036929 0.307 Uiso 1 1 calc R U . . .
H4B H 0.128807 0.077658 0.089896 0.307 Uiso 1 1 calc R U . . .
H4C H 0.056425 0.039497 0.083501 0.307 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 F11 1.913(3) . ?
Ru1 N11 1.749(5) . ?
Ru1 N21 2.078(5) . ?
Ru1 N51 2.094(5) . ?
Ru1 N41 2.084(5) . ?
Ru1 N31 2.089(5) . ?
O11 N11 1.128(7) . ?
N21 C11 1.349(9) . ?
N21 C51 1.351(8) . ?
N51 C161 1.353(8) . ?
N51 C201 1.350(8) . ?
N41 C111 1.362(8) . ?
N41 C151 1.322(8) . ?
N31 C61 1.351(8) . ?
N31 C101 1.344(8) . ?
C11 H11 0.9500 . ?
C11 C21 1.372(10) . ?
C21 H21 0.9500 . ?
C21 C31 1.364(11) . ?
C31 H31 0.9500 . ?
C31 C41 1.372(11) . ?
C41 H41 0.9500 . ?
C41 C51 1.377(9) . ?
C51 H51 0.9500 . ?
C161 H161 0.9500 . ?
C161 C171 1.370(9) . ?
C171 H171 0.9500 . ?
C171 C181 1.387(10) . ?
C181 H181 0.9500 . ?
C181 C191 1.386(10) . ?
C191 H191 0.9500 . ?
C191 C201 1.364(10) . ?
C201 H201 0.9500 . ?
C111 H111 0.9500 . ?
C111 C121 1.361(10) . ?
C121 H121 0.9500 . ?
C121 C131 1.377(11) . ?
C131 H131 0.9500 . ?
C131 C141 1.378(10) . ?
C141 H141 0.9500 . ?
C141 C151 1.372(9) . ?
C151 H151 0.9500 . ?
C61 H61 0.9500 . ?
C61 C71 1.377(9) . ?
C71 H71 0.9500 . ?
C71 C81 1.376(9) . ?
C81 H81 0.9500 . ?
C81 C91 1.371(10) . ?
C91 H91 0.9500 . ?
C91 C101 1.364(9) . ?
C101 H101 0.9500 . ?
Ru2 F12 1.916(3) . ?
Ru2 N12 1.730(6) . ?
Ru2 N52 2.099(5) . ?
Ru2 N42 2.101(5) . ?
Ru2 N32 2.080(5) . ?
Ru2 N22 2.094(5) . ?
O12 N12 1.141(7) . ?
N52 C162 1.354(9) . ?
N52 C202 1.330(9) . ?
N42 C112 1.343(9) . ?
N42 C152 1.338(9) . ?
N32 C62 1.347(8) . ?
N32 C102 1.353(8) . ?
N22 C12 1.337(8) . ?
N22 C52 1.353(8) . ?
C162 H162 0.9500 . ?
C162 C172 1.372(10) . ?
C172 H172 0.9500 . ?
C172 C182 1.387(11) . ?
C182 H182 0.9500 . ?
C182 C192 1.371(11) . ?
C192 H192 0.9500 . ?
C192 C202 1.385(10) . ?
C202 H202 0.9500 . ?
C112 H112 0.9500 . ?
C112 C122 1.387(10) . ?
C122 H122 0.9500 . ?
C122 C132 1.372(11) . ?
C132 H132 0.9500 . ?
C132 C142 1.375(11) . ?
C142 H142 0.9500 . ?
C142 C152 1.382(9) . ?
C152 H152 0.9500 . ?
C62 H62 0.9500 . ?
C62 C72 1.380(10) . ?
C72 H72 0.9500 . ?
C72 C82 1.378(11) . ?
C82 H82 0.9500 . ?
C82 C92 1.379(11) . ?
C92 H92 0.9500 . ?
C92 C102 1.380(10) . ?
C102 H102 0.9500 . ?
C12 H12 0.9500 . ?
C12 C22 1.363(9) . ?
C22 H22 0.9500 . ?
C22 C32 1.376(10) . ?
C32 H32 0.9500 . ?
C32 C42 1.379(10) . ?
C42 H42 0.9500 . ?
C42 C52 1.385(9) . ?
C52 H52 0.9500 . ?
P2 F13 1.517(7) . ?
P2 F14 1.537(7) . ?
P2 F8 1.540(6) . ?
P2 F9 1.531(6) . ?
P2 F10 1.573(6) . ?
P2 F7 1.534(6) . ?
P1 F1 1.549(5) . ?
P1 F3 1.550(6) . ?
P1 F6 1.569(5) . ?
P1 F4 1.542(5) . ?
P1 F5 1.563(6) . ?
P1 F2 1.561(6) . ?
P4 F22 1.546(6) . ?
P4 F24 1.533(6) . ?
P4 F26 1.547(6) . ?
P4 F23 1.554(6) . ?
P4 F25 1.590(5) . ?
P4 F21 1.556(6) . ?
P3 F17 1.588(5) . ?
P3 F15 1.594(5) . ?
P3 F20 1.586(5) . ?
P3 F18 1.582(5) . ?
P3 F19 1.599(5) . ?
P3 F16 1.594(5) . ?
N1 C1 1.108(12) . ?
C1 C2 1.475(13) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
N3 C5 1.093(14) . ?
C5 C6 1.505(17) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
N2 C3 1.096(13) . ?
C3 C4 1.477(17) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?

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
F11 Ru1 N21 86.62(18) . . ?
F11 Ru1 N51 87.18(18) . . ?
F11 Ru1 N41 85.60(18) . . ?
F11 Ru1 N31 86.94(17) . . ?
N11 Ru1 F11 176.2(2) . . ?
N11 Ru1 N21 95.9(2) . . ?
N11 Ru1 N51 95.8(2) . . ?
N11 Ru1 N41 92.0(2) . . ?
N11 Ru1 N31 90.2(2) . . ?
N21 Ru1 N51 88.0(2) . . ?
N21 Ru1 N41 171.9(2) . . ?
N21 Ru1 N31 89.8(2) . . ?
N41 Ru1 N51 89.5(2) . . ?
N41 Ru1 N31 92.0(2) . . ?
N31 Ru1 N51 173.8(2) . . ?
O11 N11 Ru1 174.0(5) . . ?
C11 N21 Ru1 123.0(4) . . ?
C11 N21 C51 118.9(6) . . ?
C51 N21 Ru1 118.0(4) . . ?
C161 N51 Ru1 121.4(4) . . ?
C201 N51 Ru1 120.4(5) . . ?
C201 N51 C161 118.2(6) . . ?
C111 N41 Ru1 121.5(5) . . ?
C151 N41 Ru1 120.3(4) . . ?
C151 N41 C111 118.0(6) . . ?
C61 N31 Ru1 122.0(4) . . ?
C101 N31 Ru1 120.4(4) . . ?
C101 N31 C61 117.6(6) . . ?
N21 C11 H11 119.4 . . ?
N21 C11 C21 121.3(7) . . ?
C21 C11 H11 119.4 . . ?
C11 C21 H21 120.0 . . ?
C31 C21 C11 120.1(7) . . ?
C31 C21 H21 120.0 . . ?
C21 C31 H31 120.5 . . ?
C21 C31 C41 118.9(7) . . ?
C41 C31 H31 120.5 . . ?
C31 C41 H41 120.1 . . ?
C31 C41 C51 119.7(7) . . ?
C51 C41 H41 120.1 . . ?
N21 C51 C41 121.1(7) . . ?
N21 C51 H51 119.5 . . ?
C41 C51 H51 119.5 . . ?
N51 C161 H161 119.0 . . ?
N51 C161 C171 122.0(6) . . ?
C171 C161 H161 119.0 . . ?
C161 C171 H171 120.3 . . ?
C161 C171 C181 119.3(7) . . ?
C181 C171 H171 120.3 . . ?
C171 C181 H181 120.6 . . ?
C191 C181 C171 118.7(7) . . ?
C191 C181 H181 120.6 . . ?
C181 C191 H191 120.5 . . ?
C201 C191 C181 119.1(7) . . ?
C201 C191 H191 120.5 . . ?
N51 C201 C191 122.6(7) . . ?
N51 C201 H201 118.7 . . ?
C191 C201 H201 118.7 . . ?
N41 C111 H111 119.1 . . ?
C121 C111 N41 121.8(7) . . ?
C121 C111 H111 119.1 . . ?
C111 C121 H121 120.4 . . ?
C111 C121 C131 119.2(7) . . ?
C131 C121 H121 120.4 . . ?
C121 C131 H131 120.2 . . ?
C121 C131 C141 119.6(7) . . ?
C141 C131 H131 120.2 . . ?
C131 C141 H141 121.1 . . ?
C151 C141 C131 117.9(7) . . ?
C151 C141 H141 121.1 . . ?
N41 C151 C141 123.6(7) . . ?
N41 C151 H151 118.2 . . ?
C141 C151 H151 118.2 . . ?
N31 C61 H61 118.9 . . ?
N31 C61 C71 122.3(6) . . ?
C71 C61 H61 118.9 . . ?
C61 C71 H71 120.5 . . ?
C81 C71 C61 119.1(6) . . ?
C81 C71 H71 120.5 . . ?
C71 C81 H81 120.6 . . ?
C91 C81 C71 118.8(7) . . ?
C91 C81 H81 120.6 . . ?
C81 C91 H91 120.2 . . ?
C101 C91 C81 119.6(6) . . ?
C101 C91 H91 120.2 . . ?
N31 C101 C91 122.7(6) . . ?
N31 C101 H101 118.6 . . ?
C91 C101 H101 118.6 . . ?
F12 Ru2 N52 87.75(18) . . ?
F12 Ru2 N42 86.78(18) . . ?
F12 Ru2 N32 85.86(18) . . ?
F12 Ru2 N22 87.00(18) . . ?
N12 Ru2 F12 178.0(2) . . ?
N12 Ru2 N52 93.4(2) . . ?
N12 Ru2 N42 91.6(2) . . ?
N12 Ru2 N32 92.9(2) . . ?
N12 Ru2 N22 94.6(2) . . ?
N52 Ru2 N42 90.1(2) . . ?
N32 Ru2 N52 173.6(2) . . ?
N32 Ru2 N42 89.2(2) . . ?
N32 Ru2 N22 91.5(2) . . ?
N22 Ru2 N52 88.6(2) . . ?
N22 Ru2 N42 173.7(2) . . ?
O12 N12 Ru2 176.6(6) . . ?
C162 N52 Ru2 121.1(5) . . ?
C202 N52 Ru2 119.8(5) . . ?
C202 N52 C162 119.0(6) . . ?
C112 N42 Ru2 121.7(5) . . ?
C152 N42 Ru2 119.1(5) . . ?
C152 N42 C112 119.1(6) . . ?
C62 N32 Ru2 121.2(5) . . ?
C62 N32 C102 118.3(6) . . ?
C102 N32 Ru2 120.2(4) . . ?
C12 N22 Ru2 122.2(4) . . ?
C12 N22 C52 119.1(6) . . ?
C52 N22 Ru2 118.5(4) . . ?
N52 C162 H162 119.4 . . ?
N52 C162 C172 121.2(7) . . ?
C172 C162 H162 119.4 . . ?
C162 C172 H172 120.3 . . ?
C162 C172 C182 119.3(7) . . ?
C182 C172 H172 120.3 . . ?
C172 C182 H182 120.2 . . ?
C192 C182 C172 119.5(7) . . ?
C192 C182 H182 120.2 . . ?
C182 C192 H192 120.9 . . ?
C182 C192 C202 118.2(7) . . ?
C202 C192 H192 120.9 . . ?
N52 C202 C192 122.7(7) . . ?
N52 C202 H202 118.7 . . ?
C192 C202 H202 118.7 . . ?
N42 C112 H112 119.4 . . ?
N42 C112 C122 121.3(7) . . ?
C122 C112 H112 119.4 . . ?
C112 C122 H122 120.3 . . ?
C132 C122 C112 119.4(8) . . ?
C132 C122 H122 120.3 . . ?
C122 C132 H132 120.4 . . ?
C122 C132 C142 119.2(7) . . ?
C142 C132 H132 120.4 . . ?
C132 C142 H142 120.5 . . ?
C132 C142 C152 118.9(7) . . ?
C152 C142 H142 120.5 . . ?
N42 C152 C142 122.0(7) . . ?
N42 C152 H152 119.0 . . ?
C142 C152 H152 119.0 . . ?
N32 C62 H62 119.1 . . ?
N32 C62 C72 121.8(7) . . ?
C72 C62 H62 119.1 . . ?
C62 C72 H72 120.1 . . ?
C82 C72 C62 119.8(7) . . ?
C82 C72 H72 120.1 . . ?
C72 C82 H82 120.8 . . ?
C72 C82 C92 118.5(7) . . ?
C92 C82 H82 120.8 . . ?
C82 C92 H92 120.2 . . ?
C82 C92 C102 119.6(7) . . ?
C102 C92 H92 120.2 . . ?
N32 C102 C92 121.9(7) . . ?
N32 C102 H102 119.1 . . ?
C92 C102 H102 119.1 . . ?
N22 C12 H12 119.1 . . ?
N22 C12 C22 121.9(6) . . ?
C22 C12 H12 119.1 . . ?
C12 C22 H22 120.2 . . ?
C12 C22 C32 119.6(7) . . ?
C32 C22 H22 120.2 . . ?
C22 C32 H32 120.3 . . ?
C22 C32 C42 119.4(7) . . ?
C42 C32 H32 120.3 . . ?
C32 C42 H42 120.8 . . ?
C32 C42 C52 118.5(7) . . ?
C52 C42 H42 120.8 . . ?
N22 C52 C42 121.5(6) . . ?
N22 C52 H52 119.3 . . ?
C42 C52 H52 119.3 . . ?
F13 P2 F14 174.7(6) . . ?
F13 P2 F8 85.7(5) . . ?
F13 P2 F9 95.6(6) . . ?
F13 P2 F10 89.5(5) . . ?
F13 P2 F7 88.1(5) . . ?
F14 P2 F8 96.9(6) . . ?
F14 P2 F10 88.0(5) . . ?
F8 P2 F10 174.8(5) . . ?
F9 P2 F14 89.2(6) . . ?
F9 P2 F8 88.4(4) . . ?
F9 P2 F10 90.1(4) . . ?
F9 P2 F7 176.1(6) . . ?
F7 P2 F14 87.3(5) . . ?
F7 P2 F8 90.5(4) . . ?
F7 P2 F10 91.3(4) . . ?
F1 P1 F3 177.3(4) . . ?
F1 P1 F6 93.2(4) . . ?
F1 P1 F5 88.7(4) . . ?
F1 P1 F2 86.4(4) . . ?
F3 P1 F6 85.7(4) . . ?
F3 P1 F5 92.3(4) . . ?
F3 P1 F2 91.1(5) . . ?
F4 P1 F1 93.0(4) . . ?
F4 P1 F3 89.5(5) . . ?
F4 P1 F6 94.3(4) . . ?
F4 P1 F5 87.7(4) . . ?
F4 P1 F2 179.1(5) . . ?
F5 P1 F6 177.1(4) . . ?
F2 P1 F6 85.1(4) . . ?
F2 P1 F5 92.9(4) . . ?
F22 P4 F26 88.7(4) . . ?
F22 P4 F23 91.0(5) . . ?
F22 P4 F25 90.7(4) . . ?
F22 P4 F21 88.0(4) . . ?
F24 P4 F22 177.9(5) . . ?
F24 P4 F26 93.3(4) . . ?
F24 P4 F23 88.7(5) . . ?
F24 P4 F25 87.3(4) . . ?
F24 P4 F21 92.3(5) . . ?
F26 P4 F23 88.1(4) . . ?
F26 P4 F25 179.1(4) . . ?
F26 P4 F21 93.4(4) . . ?
F23 P4 F25 91.2(3) . . ?
F23 P4 F21 178.2(5) . . ?
F21 P4 F25 87.3(3) . . ?
F17 P3 F15 178.7(3) . . ?
F17 P3 F19 91.8(3) . . ?
F17 P3 F16 89.1(3) . . ?
F15 P3 F19 89.1(3) . . ?
F20 P3 F17 90.0(3) . . ?
F20 P3 F15 89.1(3) . . ?
F20 P3 F19 177.9(3) . . ?
F20 P3 F16 90.5(3) . . ?
F18 P3 F17 90.7(3) . . ?
F18 P3 F15 90.3(3) . . ?
F18 P3 F20 90.9(3) . . ?
F18 P3 F19 90.1(3) . . ?
F18 P3 F16 178.5(3) . . ?
F16 P3 F15 89.9(3) . . ?
F16 P3 F19 88.5(3) . . ?
N1 C1 C2 179.5(12) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N3 C5 C6 173.2(16) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C3 C4 178(2) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N21 C11 C21 -177.8(5) . . . . ?
Ru1 N21 C51 C41 177.2(5) . . . . ?
Ru1 N51 C161 C171 179.0(5) . . . . ?
Ru1 N51 C201 C191 -178.8(5) . . . . ?
Ru1 N41 C111 C121 -174.0(5) . . . . ?
Ru1 N41 C151 C141 174.9(5) . . . . ?
Ru1 N31 C61 C71 175.6(5) . . . . ?
Ru1 N31 C101 C91 -176.5(5) . . . . ?
N21 C11 C21 C31 0.2(11) . . . . ?
N51 C161 C171 C181 -0.1(10) . . . . ?
N41 C111 C121 C131 -0.2(11) . . . . ?
N31 C61 C71 C81 1.0(10) . . . . ?
C11 N21 C51 C41 -1.1(10) . . . . ?
C11 C21 C31 C41 -0.2(12) . . . . ?
C21 C31 C41 C51 -0.4(11) . . . . ?
C31 C41 C51 N21 1.1(11) . . . . ?
C51 N21 C11 C21 0.4(10) . . . . ?
C161 N51 C201 C191 2.8(10) . . . . ?
C161 C171 C181 C191 2.7(10) . . . . ?
C171 C181 C191 C201 -2.6(11) . . . . ?
C181 C191 C201 N51 -0.2(11) . . . . ?
C201 N51 C161 C171 -2.7(9) . . . . ?
C111 N41 C151 C141 0.9(10) . . . . ?
C111 C121 C131 C141 -0.3(12) . . . . ?
C121 C131 C141 C151 0.9(11) . . . . ?
C131 C141 C151 N41 -1.3(11) . . . . ?
C151 N41 C111 C121 -0.1(10) . . . . ?
C61 N31 C101 C91 0.8(10) . . . . ?
C61 C71 C81 C91 0.6(11) . . . . ?
C71 C81 C91 C101 -1.5(11) . . . . ?
C81 C91 C101 N31 0.8(11) . . . . ?
C101 N31 C61 C71 -1.7(10) . . . . ?
Ru2 N52 C162 C172 -177.1(5) . . . . ?
Ru2 N52 C202 C192 177.9(6) . . . . ?
Ru2 N42 C112 C122 174.2(5) . . . . ?
Ru2 N42 C152 C142 -175.0(5) . . . . ?
Ru2 N32 C62 C72 -173.8(5) . . . . ?
Ru2 N32 C102 C92 173.7(5) . . . . ?
Ru2 N22 C12 C22 173.4(6) . . . . ?
Ru2 N22 C52 C42 -174.2(5) . . . . ?
N52 C162 C172 C182 -0.1(11) . . . . ?
N42 C112 C122 C132 -0.3(12) . . . . ?
N32 C62 C72 C82 0.7(10) . . . . ?
N22 C12 C22 C32 0.0(12) . . . . ?
C162 N52 C202 C192 1.7(10) . . . . ?
C162 C172 C182 C192 0.4(12) . . . . ?
C172 C182 C192 C202 0.3(12) . . . . ?
C182 C192 C202 N52 -1.3(12) . . . . ?
C202 N52 C162 C172 -0.9(10) . . . . ?
C112 N42 C152 C142 1.0(10) . . . . ?
C112 C122 C132 C142 2.9(12) . . . . ?
C122 C132 C142 C152 -3.5(11) . . . . ?
C132 C142 C152 N42 1.6(11) . . . . ?
C152 N42 C112 C122 -1.6(10) . . . . ?
C62 N32 C102 C92 -0.9(9) . . . . ?
C62 C72 C82 C92 -2.0(11) . . . . ?
C72 C82 C92 C102 1.8(11) . . . . ?
C82 C92 C102 N32 -0.4(11) . . . . ?
C102 N32 C62 C72 0.8(9) . . . . ?
C12 N22 C52 C42 1.5(10) . . . . ?
C12 C22 C32 C42 2.8(12) . . . . ?
C22 C32 C42 C52 -3.4(12) . . . . ?
C32 C42 C52 N22 1.3(11) . . . . ?
C52 N22 C12 C22 -2.2(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_am_p4f_pf6
_database_code_depnum_ccdc_archive 'CCDC 2143052'
loop_
_audit_author_name
_audit_author_address
'Aleksandr S. Sukhikh '
;Nikolaev Institute of Inorganic Chemistry
Russia
;
_audit_update_record             
;
2022-05-18 deposited with the CCDC.	2022-05-25 downloaded from the CCDC.
;
_audit_creation_date             2022-05-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H20 F N5 O Ru, 2(F6 P), 0.333(H2 O)'
_chemical_formula_sum            'C20 H20.67 F13 N5 O1.33 P2 Ru'
_chemical_formula_weight         762.42
_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'
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'
O O 0.0106 0.0060 '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                   13.9264(5)
_cell_length_b                   16.9480(7)
_cell_length_c                   19.8185(8)
_cell_angle_alpha                66.7760(10)
_cell_angle_beta                 79.868(2)
_cell_angle_gamma                84.6740(10)
_cell_volume                     4230.2(3)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.939
_shelx_estimated_absorpt_T_min   0.916
_exptl_absorpt_coefficient_mu    0.782
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.'
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2264
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 0.00 0.0440
1.00 0.00 0.00 0.0420
0.00 0.00 1.00 0.0410
0.00 0.00 -1.00 0.0330
-1.00 0.00 -1.00 0.0300
1.00 0.00 1.00 0.0390
1.00 -1.00 -1.00 0.0500
0.00 -1.00 -1.00 0.0440
-1.00 1.00 0.00 0.0360
1.00 -1.00 0.00 0.0560
0.00 1.00 0.00 0.0190
0.00 -1.00 0.00 0.0560
-1.00 1.00 -1.00 0.0250
1.00 -1.00 1.00 0.0420
0.00 1.00 -1.00 0.0290
-1.00 -1.00 0.00 0.0410

_exptl_crystal_size_max          0.114
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.082
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            63937
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.533
_diffrn_reflns_theta_min         1.954
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ 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                15517
_reflns_number_total             19420
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.566
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1184
_refine_ls_number_reflns         19420
_refine_ls_number_restraints     29
_refine_ls_R_factor_all          0.0992
_refine_ls_R_factor_gt           0.0813
_refine_ls_restrained_S_all      1.202
_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)+33.4624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1596
_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
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Ru3-N43 \\sim Ru3A-N43
 with sigma of 0.02
 N33-N13 \\sim N33-N13A
 with sigma of 0.04
 Ru3-N33 \\sim Ru3A-N33
 with sigma of 0.02
 N53-N13 \\sim N53-N13A
 with sigma of 0.04
 Ru3-N23 \\sim Ru3A-N23
 with sigma of 0.02
 N43-N13 \\sim N43-N13A
 with sigma of 0.04
 Ru3-N53 \\sim Ru3A-N53
 with sigma of 0.02
 N23-N13 \\sim N23-N13A
 with sigma of 0.04
 Ru3-F13 \\sim Ru3A-F13A
 with sigma of 0.02
 Ru3-N13 \\sim Ru3A-N13A
 with sigma of 0.02
 N43-F13 \\sim N43-F13A
 with sigma of 0.04
 N33-F13 \\sim N33-F13A
 with sigma of 0.04
 N23-F13 \\sim N23-F13A
 with sigma of 0.04
 N53-F13 \\sim N53-F13A
 with sigma of 0.04
 N13-O13 \\sim N13A-O13A
 with sigma of 0.02
 F13-N13 \\sim F13A-N13A
 with sigma of 0.04
 Ru3-O13 \\sim Ru3A-O13A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(N13A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.2
Uanis(F13A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(F13A)=Sof(Ru3A)=Sof(N13A)=Sof(O13A)=1-FVAR(1)
 Sof(Ru3)=Sof(F13)=Sof(N13)=Sof(O13)=FVAR(1)
5.a Free rotating group:
 O1(H1A,H1B)
5.b Aromatic/amide H refined with riding coordinates:
 C162(H162), C62(H62), C143(H143), C153(H153), C133(H133), C202(H202),
 C12(H12), C61(H61), C63(H63), C43(H43), C91(H91), C113(H113), C103(H103),
 C21(H21), C33(H33), C23(H23), C93(H93), C53(H53), C172(H172), C182(H182),
 C13(H13), C11(H11), C71(H71), C161(H161), C22(H22), C192(H192), C112(H112),
 C52(H52), C183(H183), C32(H32), C203(H203), C83(H83), C191(H191), C72(H72),
 C51(H51), C123(H123), C73(H73), C101(H101), C31(H31), C201(H201), C171(H171),
 C42(H42), C152(H152), C81(H81), C193(H193), C82(H82), C181(H181), C151(H151),
 C163(H163), C111(H111), C122(H122), C102(H102), C121(H121), C41(H41),
 C173(H173), C132(H132), C92(H92), C142(H142), C141(H141), C131(H131)
;
_atom_sites_solution_hydrogens   mixed
_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 0.14161(4) 0.49440(3) 0.19622(3) 0.02937(12) Uani 1 1 d . . . . .
Ru2 Ru 0.18120(4) 0.97636(3) 0.67604(3) 0.02914(12) Uani 1 1 d . . . . .
Ru3 Ru 0.51048(18) 0.75393(12) 0.25146(16) 0.0239(4) Uani 0.670(10) 1 d D . P A
1
P5 P 0.37125(13) 0.76870(12) 0.52486(10) 0.0322(4) Uani 1 1 d . . . . .
P4 P -0.15136(13) 0.86366(13) 0.64926(11) 0.0374(4) Uani 1 1 d . . . . .
P2 P -0.16705(14) 0.37487(13) 0.12507(12) 0.0394(4) Uani 1 1 d . . . . .
P1 P 0.35225(15) 0.28068(12) 0.05455(11) 0.0409(4) Uani 1 1 d . . . . .
P6 P 0.84460(18) 0.63623(15) 0.40813(14) 0.0525(5) Uani 1 1 d . . . . .
P3 P 0.12236(19) 0.89882(19) 0.11080(14) 0.0619(6) Uani 1 1 d . . . . .
F11 F 0.1455(3) 0.5736(2) 0.2420(2) 0.0393(9) Uani 1 1 d . . . . .
F12 F 0.2066(3) 1.0643(2) 0.7076(2) 0.0430(10) Uani 1 1 d . . . . .
F29 F 0.3633(4) 0.7358(3) 0.4611(3) 0.0550(12) Uani 1 1 d . . . . .
F22 F -0.1232(3) 0.7834(3) 0.7199(3) 0.0563(12) Uani 1 1 d . . . . .
F25 F 0.2714(3) 0.8212(3) 0.5120(3) 0.0624(14) Uani 1 1 d . . . . .
F5 F -0.1588(3) 0.4470(3) 0.1566(3) 0.0504(11) Uani 1 1 d . . . . .
F27 F 0.4713(3) 0.7159(3) 0.5393(3) 0.0524(12) Uani 1 1 d . . . . .
F24 F -0.1418(3) 0.9264(3) 0.6902(3) 0.0487(11) Uani 1 1 d . . . . .
F26 F 0.4289(4) 0.8499(3) 0.4656(3) 0.0580(13) Uani 1 1 d . . . . .
F19 F -0.2642(3) 0.8526(3) 0.6831(3) 0.0496(11) Uani 1 1 d . . . . .
F4 F -0.2822(3) 0.3726(3) 0.1514(3) 0.0546(12) Uani 1 1 d . . . . .
F21 F -0.0377(3) 0.8763(3) 0.6162(3) 0.0581(13) Uani 1 1 d . . . . .
F20 F -0.1775(3) 0.9443(3) 0.5785(3) 0.0624(14) Uani 1 1 d . . . . .
F30 F 0.3804(4) 0.8022(3) 0.5888(3) 0.0576(13) Uani 1 1 d . . . . .
O12 O 0.1508(4) 0.8375(3) 0.6339(3) 0.0443(13) Uani 1 1 d . . . . .
N43 N 0.4272(4) 0.8696(3) 0.2323(3) 0.0295(11) Uani 1 1 d D . . . .
F28 F 0.3146(4) 0.6876(3) 0.5839(3) 0.0680(15) Uani 1 1 d . . . . .
N52 N 0.0571(4) 1.0488(3) 0.6408(3) 0.0300(12) Uani 1 1 d . . . . .
N33 N 0.3762(4) 0.6887(3) 0.3062(3) 0.0298(11) Uani 1 1 d D . . . .
N51 N 0.2659(4) 0.4352(3) 0.2441(3) 0.0309(12) Uani 1 1 d . . . . .
F3 F -0.1518(4) 0.3028(3) 0.2052(3) 0.0632(14) Uani 1 1 d . . . . .
F1 F -0.1816(4) 0.4467(3) 0.0462(3) 0.0625(13) Uani 1 1 d . . . . .
N23 N 0.5792(4) 0.6369(3) 0.2536(3) 0.0326(12) Uani 1 1 d D . . . .
N21 N 0.0502(4) 0.4227(3) 0.2929(3) 0.0329(12) Uani 1 1 d . . . . .
F2 F -0.0519(3) 0.3770(4) 0.1000(3) 0.0679(15) Uani 1 1 d . . . . .
N53 N 0.6331(4) 0.8161(3) 0.1812(3) 0.0318(12) Uani 1 1 d D . . . .
N42 N 0.1032(4) 0.9152(4) 0.7820(3) 0.0355(13) Uani 1 1 d . . . . .
F6 F -0.1757(4) 0.3016(3) 0.0963(3) 0.0715(16) Uani 1 1 d . . . . .
N31 N 0.0206(4) 0.5657(3) 0.1534(3) 0.0297(12) Uani 1 1 d . . . . .
N12 N 0.1611(4) 0.8940(3) 0.6496(3) 0.0298(12) Uani 1 1 d . . . . .
N22 N 0.2635(4) 1.0476(3) 0.5740(3) 0.0313(12) Uani 1 1 d . . . . .
F10 F 0.4300(5) 0.2053(4) 0.0778(4) 0.095(2) Uani 1 1 d . . . . .
F23 F -0.1592(4) 0.8025(4) 0.6078(3) 0.0697(15) Uani 1 1 d . . . . .
N32 N 0.3115(4) 0.9194(4) 0.7141(3) 0.0396(14) Uani 1 1 d . . . . .
F7 F 0.2941(4) 0.2406(4) 0.1354(3) 0.099(2) Uani 1 1 d . . . . .
O11 O 0.1288(4) 0.3719(4) 0.1312(4) 0.0609(17) Uani 1 1 d . . . . .
N11 N 0.1346(4) 0.4215(4) 0.1560(3) 0.0370(13) Uani 1 1 d . . . . .
F9 F 0.4145(6) 0.3212(5) -0.0244(3) 0.112(3) Uani 1 1 d . . . . .
F17 F 0.0902(5) 0.8266(4) 0.0890(4) 0.092(2) Uani 1 1 d . . . . .
C162 C 0.0335(5) 1.0665(4) 0.5731(4) 0.0320(14) Uani 1 1 d . . . . .
H162 H 0.072631 1.042745 0.541059 0.038 Uiso 1 1 calc R U . . .
N41 N 0.2343(4) 0.5769(4) 0.1061(3) 0.0410(14) Uani 1 1 d . . . . .
C62 C 0.3225(5) 0.8354(5) 0.7533(4) 0.0412(17) Uani 1 1 d . . . . .
H62 H 0.269565 0.799011 0.762692 0.049 Uiso 1 1 calc R U . . .
C143 C 0.3170(5) 0.9548(4) 0.2824(4) 0.0398(17) Uani 1 1 d . . . . .
H143 H 0.280282 0.962345 0.324775 0.048 Uiso 1 1 calc R U . . .
C153 C 0.3729(5) 0.8815(4) 0.2908(4) 0.0321(14) Uani 1 1 d . . . . .
H153 H 0.373281 0.838105 0.339122 0.038 Uiso 1 1 calc R U . . .
C133 C 0.3141(5) 1.0173(5) 0.2130(5) 0.0437(18) Uani 1 1 d . . . . .
H133 H 0.274419 1.067735 0.206390 0.052 Uiso 1 1 calc R U . . .
C202 C 0.0019(5) 1.0824(5) 0.6851(4) 0.0376(16) Uani 1 1 d . . . . .
H202 H 0.018961 1.070638 0.732616 0.045 Uiso 1 1 calc R U . . .
F8 F 0.2771(5) 0.3548(4) 0.0300(4) 0.122(3) Uani 1 1 d . . . . .
F36 F 0.8878(6) 0.7148(4) 0.4137(5) 0.121(3) Uani 1 1 d . . . . .
C12 C 0.3235(5) 1.0082(5) 0.5350(4) 0.0371(16) Uani 1 1 d . . . . .
H12 H 0.322102 0.947542 0.551076 0.044 Uiso 1 1 calc R U . . .
C61 C 0.0051(5) 0.5820(5) 0.0838(4) 0.0378(16) Uani 1 1 d . . . . .
H61 H 0.051267 0.560685 0.053204 0.045 Uiso 1 1 calc R U . . .
C63 C 0.2934(5) 0.7115(5) 0.2775(4) 0.0394(16) Uani 1 1 d . . . . .
H63 H 0.294493 0.755491 0.229324 0.047 Uiso 1 1 calc R U . . .
C43 C 0.6630(5) 0.5093(5) 0.3205(4) 0.0429(17) Uani 1 1 d . . . . .
H43 H 0.687245 0.473801 0.364979 0.051 Uiso 1 1 calc R U . . .
C91 C -0.1255(5) 0.6451(5) 0.1698(5) 0.0460(19) Uani 1 1 d . . . . .
H91 H -0.170225 0.667254 0.200479 0.055 Uiso 1 1 calc R U . . .
C113 C 0.4250(6) 0.9313(4) 0.1641(4) 0.0430(18) Uani 1 1 d . . . . .
H113 H 0.462678 0.923283 0.122366 0.052 Uiso 1 1 calc R U . . .
C103 C 0.3740(5) 0.6262(4) 0.3740(4) 0.0367(15) Uani 1 1 d . . . . .
H103 H 0.433016 0.609289 0.394328 0.044 Uiso 1 1 calc R U . . .
C21 C -0.0982(5) 0.3493(4) 0.3498(4) 0.0436(18) Uani 1 1 d . . . . .
H21 H -0.154293 0.325169 0.345113 0.052 Uiso 1 1 calc R U . . .
F39 F 0.0281(5) 0.8949(6) 0.1641(5) 0.133(3) Uani 1 1 d . . . . .
C33 C 0.6741(5) 0.4838(5) 0.2619(4) 0.0426(17) Uani 1 1 d . . . . .
H33 H 0.705796 0.430569 0.265214 0.051 Uiso 1 1 calc R U . . .
C23 C 0.6383(6) 0.5367(5) 0.1983(4) 0.0473(19) Uani 1 1 d . . . . .
H23 H 0.646079 0.521106 0.156496 0.057 Uiso 1 1 calc R U . . .
C93 C 0.2891(6) 0.5852(5) 0.4154(4) 0.0446(18) Uani 1 1 d . . . . .
H93 H 0.289778 0.541078 0.463333 0.053 Uiso 1 1 calc R U . . .
F38 F 0.4128(6) 0.3315(5) 0.0817(4) 0.108(2) Uani 1 1 d . . . . .
C53 C 0.6165(5) 0.5866(5) 0.3145(4) 0.0394(16) Uani 1 1 d . . . . .
H53 H 0.610921 0.604658 0.354805 0.047 Uiso 1 1 calc R U . . .
C172 C -0.0457(5) 1.1181(5) 0.5494(4) 0.0383(16) Uani 1 1 d . . . . .
H172 H -0.060663 1.130371 0.501307 0.046 Uiso 1 1 calc R U . . .
C182 C -0.1032(6) 1.1520(4) 0.5956(4) 0.0420(17) Uani 1 1 d . . . . .
H182 H -0.158635 1.187321 0.580146 0.050 Uiso 1 1 calc R U . . .
C13 C 0.5911(6) 0.6127(5) 0.1959(4) 0.0428(17) Uani 1 1 d . . . . .
H13 H 0.566193 0.649115 0.151887 0.051 Uiso 1 1 calc R U . . .
C11 C -0.0291(5) 0.3874(4) 0.2892(4) 0.0353(15) Uani 1 1 d . . . . .
H11 H -0.038311 0.388664 0.242429 0.042 Uiso 1 1 calc R U . . .
C71 C -0.0751(5) 0.6284(5) 0.0555(4) 0.0402(17) Uani 1 1 d . . . . .
H71 H -0.084671 0.638445 0.006426 0.048 Uiso 1 1 calc R U . . .
C161 C 0.2929(6) 0.3548(5) 0.2547(5) 0.0478(19) Uani 1 1 d . . . . .
H161 H 0.253694 0.321171 0.242159 0.057 Uiso 1 1 calc R U . . .
C22 C 0.3859(5) 1.0534(5) 0.4731(4) 0.0450(18) Uani 1 1 d . . . . .
H22 H 0.425501 1.024647 0.445144 0.054 Uiso 1 1 calc R U . . .
C192 C -0.0792(6) 1.1339(5) 0.6646(4) 0.0418(17) Uani 1 1 d . . . . .
H192 H -0.117881 1.156507 0.697721 0.050 Uiso 1 1 calc R U . . .
C112 C 0.0218(5) 0.8727(4) 0.7937(4) 0.0405(17) Uani 1 1 d . . . . .
H112 H 0.001198 0.866368 0.752961 0.049 Uiso 1 1 calc R U . . .
C52 C 0.2645(5) 1.1335(4) 0.5507(4) 0.0389(16) Uani 1 1 d . . . . .
H52 H 0.220882 1.161801 0.577055 0.047 Uiso 1 1 calc R U . . .
C183 C 0.8085(6) 0.8881(5) 0.0991(5) 0.052(2) Uani 1 1 d . . . . .
H183 H 0.868345 0.913026 0.070745 0.063 Uiso 1 1 calc R U . . .
F15 F 0.2110(6) 0.9183(5) 0.0458(5) 0.140(3) Uani 1 1 d . . . . .
C32 C 0.3913(5) 1.1407(5) 0.4512(5) 0.051(2) Uani 1 1 d . . . . .
H32 H 0.438149 1.172311 0.410507 0.061 Uiso 1 1 calc R U . . .
C203 C 0.7072(6) 0.8250(5) 0.2138(4) 0.0441(18) Uani 1 1 d . . . . .
H203 H 0.698197 0.805751 0.266391 0.053 Uiso 1 1 calc R U . . .
C83 C 0.2037(6) 0.6099(5) 0.3857(5) 0.051(2) Uani 1 1 d . . . . .
H83 H 0.144098 0.583583 0.413071 0.061 Uiso 1 1 calc R U . . .
C191 C 0.4052(6) 0.4463(6) 0.2944(5) 0.058(2) Uani 1 1 d . . . . .
H191 H 0.442262 0.479629 0.308874 0.070 Uiso 1 1 calc R U . . .
C72 C 0.4077(6) 0.7993(6) 0.7805(5) 0.052(2) Uani 1 1 d . . . . .
H72 H 0.412742 0.739310 0.808736 0.062 Uiso 1 1 calc R U . . .
C51 C 0.0641(6) 0.4197(5) 0.3587(4) 0.0456(18) Uani 1 1 d . . . . .
H51 H 0.120695 0.444390 0.362052 0.055 Uiso 1 1 calc R U . . .
C123 C 0.3700(6) 1.0054(5) 0.1533(5) 0.0472(19) Uani 1 1 d . . . . .
H123 H 0.370468 1.048277 0.104655 0.057 Uiso 1 1 calc R U . . .
C73 C 0.2061(5) 0.6732(5) 0.3156(5) 0.051(2) Uani 1 1 d . . . . .
H73 H 0.148246 0.690360 0.293661 0.061 Uiso 1 1 calc R U . . .
C101 C -0.0442(5) 0.5976(4) 0.1960(4) 0.0348(15) Uani 1 1 d . . . . .
H101 H -0.033701 0.587180 0.244916 0.042 Uiso 1 1 calc R U . . .
C31 C -0.0842(6) 0.3470(5) 0.4176(5) 0.053(2) Uani 1 1 d . . . . .
H31 H -0.131098 0.321917 0.460481 0.064 Uiso 1 1 calc R U . . .
C201 C 0.3226(6) 0.4816(6) 0.2632(6) 0.058(2) Uani 1 1 d . . . . .
H201 H 0.304869 0.539817 0.254948 0.069 Uiso 1 1 calc R U . . .
C171 C 0.3783(7) 0.3184(5) 0.2841(6) 0.063(3) Uani 1 1 d . . . . .
H171 H 0.397489 0.261121 0.289883 0.076 Uiso 1 1 calc R U . . .
C42 C 0.3284(6) 1.1814(5) 0.4887(5) 0.054(2) Uani 1 1 d . . . . .
H42 H 0.328327 1.242157 0.472481 0.065 Uiso 1 1 calc R U . . .
C152 C 0.1336(7) 0.9218(5) 0.8414(4) 0.048(2) Uani 1 1 d . . . . .
H152 H 0.192116 0.950939 0.833702 0.058 Uiso 1 1 calc R U . . .
C81 C -0.1414(6) 0.6602(5) 0.0996(4) 0.0437(18) Uani 1 1 d . . . . .
H81 H -0.197575 0.692160 0.081367 0.052 Uiso 1 1 calc R U . . .
C193 C 0.7941(6) 0.8602(6) 0.1744(5) 0.055(2) Uani 1 1 d . . . . .
H193 H 0.844049 0.865073 0.199429 0.066 Uiso 1 1 calc R U . . .
C82 C 0.4859(6) 0.8516(6) 0.7662(5) 0.065(3) Uani 1 1 d . . . . .
H82 H 0.545377 0.828895 0.784556 0.078 Uiso 1 1 calc R U . . .
C181 C 0.4339(6) 0.3648(5) 0.3044(5) 0.051(2) Uani 1 1 d . . . . .
H181 H 0.491458 0.340374 0.325131 0.062 Uiso 1 1 calc R U . . .
C151 C 0.2221(6) 0.6618(5) 0.0886(5) 0.056(2) Uani 1 1 d . . . . .
H151 H 0.168795 0.682564 0.114809 0.067 Uiso 1 1 calc R U . . .
C163 C 0.6490(6) 0.8422(5) 0.1078(4) 0.0477(19) Uani 1 1 d . . . . .
H163 H 0.599286 0.834618 0.083759 0.057 Uiso 1 1 calc R U . . .
C111 C 0.3066(5) 0.5474(6) 0.0684(5) 0.050(2) Uani 1 1 d . . . . .
H111 H 0.314593 0.487309 0.080349 0.061 Uiso 1 1 calc R U . . .
C122 C -0.0332(7) 0.8377(5) 0.8630(5) 0.057(2) Uani 1 1 d . . . . .
H122 H -0.091329 0.808474 0.870038 0.069 Uiso 1 1 calc R U . . .
F14 F 0.0648(8) 0.9647(5) 0.0488(5) 0.142(3) Uani 1 1 d . . . . .
C102 C 0.3879(7) 0.9699(6) 0.6999(6) 0.065(3) Uani 1 1 d . . . . .
H102 H 0.381499 1.029801 0.671861 0.078 Uiso 1 1 calc R U . . .
F35 F 0.7994(9) 0.5565(5) 0.4077(6) 0.174(5) Uani 1 1 d . . . . .
C121 C 0.3702(6) 0.6031(7) 0.0121(6) 0.077(3) Uani 1 1 d . . . . .
H121 H 0.420854 0.581308 -0.015307 0.093 Uiso 1 1 calc R U . . .
F37 F 0.2939(9) 0.2261(6) 0.0304(7) 0.190(5) Uani 1 1 d . . . . .
C41 C -0.0020(7) 0.3813(6) 0.4223(4) 0.056(2) Uani 1 1 d . . . . .
H41 H 0.009718 0.378830 0.468878 0.067 Uiso 1 1 calc R U . . .
C173 C 0.7341(6) 0.8795(6) 0.0648(4) 0.053(2) Uani 1 1 d . . . . .
H173 H 0.741761 0.899206 0.012225 0.064 Uiso 1 1 calc R U . . .
C132 C -0.0018(9) 0.8462(6) 0.9223(5) 0.072(3) Uani 1 1 d . . . . .
H132 H -0.038563 0.823200 0.970644 0.086 Uiso 1 1 calc R U . . .
C92 C 0.4738(7) 0.9376(7) 0.7244(6) 0.081(3) Uani 1 1 d . . . . .
H92 H 0.526429 0.974979 0.712494 0.097 Uiso 1 1 calc R U . . .
C142 C 0.0832(9) 0.8883(6) 0.9105(5) 0.066(3) Uani 1 1 d . . . . .
H142 H 0.106260 0.893598 0.950791 0.079 Uiso 1 1 calc R U . . .
C141 C 0.2851(7) 0.7194(7) 0.0337(7) 0.087(4) Uani 1 1 d . . . . .
H141 H 0.275933 0.779295 0.022455 0.104 Uiso 1 1 calc R U . . .
F18 F 0.1524(6) 0.9755(8) 0.1264(7) 0.186(5) Uani 1 1 d . . . . .
C131 C 0.3609(7) 0.6896(8) -0.0046(7) 0.102(5) Uani 1 1 d . . . . .
H131 H 0.406170 0.728090 -0.042025 0.122 Uiso 1 1 calc R U . . .
F16 F 0.1856(9) 0.8405(7) 0.1633(6) 0.213(6) Uani 1 1 d . . . . .
F31 F 0.7540(7) 0.6868(8) 0.3887(9) 0.215(6) Uani 1 1 d . . . . .
F34 F 0.8277(11) 0.5988(10) 0.4889(5) 0.260(9) Uani 1 1 d . . . . .
F33 F 0.9480(8) 0.6005(9) 0.4102(9) 0.216(7) Uani 1 1 d . . . . .
O1 O 0.5474(10) 0.5735(8) 0.4948(7) 0.153(5) Uani 1 1 d G . . . .
H1A H 0.609586 0.573207 0.495942 0.230 Uiso 1 1 d G U . . .
H1B H 0.521264 0.606067 0.518135 0.230 Uiso 1 1 d G U . . .
F32 F 0.8716(13) 0.6626(12) 0.3275(6) 0.262(8) Uani 1 1 d . . . . .
F13 F 0.4660(10) 0.7604(10) 0.1641(7) 0.035(3) Uani 0.670(10) 1 d D . P A 1
N13 N 0.5433(12) 0.7494(16) 0.3336(12) 0.031(4) Uani 0.670(10) 1 d D . P A 1
O13 O 0.5682(5) 0.7597(5) 0.3816(4) 0.041(2) Uani 0.670(10) 1 d D . P A 1
F13A F 0.5335(19) 0.754(2) 0.3211(13) 0.032(7) Uani 0.330(10) 1 d D U P A 2
Ru3A Ru 0.4920(4) 0.7525(2) 0.2346(3) 0.0198(7) Uani 0.330(10) 1 d D . P A 2
N13A N 0.458(2) 0.758(2) 0.1529(15) 0.015(6) Uani 0.330(10) 1 d D U P A 2
O13A O 0.4190(14) 0.7604(14) 0.1050(10) 0.069(6) Uani 0.330(10) 1 d D . P A 2


_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 F11 1.902(4) . ?
Ru1 N51 2.099(5) . ?
Ru1 N21 2.088(6) . ?
Ru1 N31 2.082(5) . ?
Ru1 N11 1.732(6) . ?
Ru1 N41 2.090(6) . ?
Ru2 F12 1.910(4) . ?
Ru2 N52 2.082(5) . ?
Ru2 N42 2.087(6) . ?
Ru2 N12 1.732(5) . ?
Ru2 N22 2.092(5) . ?
Ru2 N32 2.091(6) . ?
Ru3 N43 2.116(5) . ?
Ru3 N33 2.149(6) . ?
Ru3 N23 2.108(6) . ?
Ru3 N53 2.075(6) . ?
Ru3 F13 1.898(12) . ?
Ru3 N13 1.74(2) . ?
P5 F29 1.592(5) . ?
P5 F25 1.583(4) . ?
P5 F27 1.591(4) . ?
P5 F26 1.586(5) . ?
P5 F30 1.607(5) . ?
P5 F28 1.578(5) . ?
P4 F22 1.599(5) . ?
P4 F24 1.598(5) . ?
P4 F19 1.594(4) . ?
P4 F21 1.602(5) . ?
P4 F20 1.595(5) . ?
P4 F23 1.575(5) . ?
P2 F5 1.597(5) . ?
P2 F4 1.596(5) . ?
P2 F3 1.612(5) . ?
P2 F1 1.590(5) . ?
P2 F2 1.592(5) . ?
P2 F6 1.580(5) . ?
P1 F10 1.572(6) . ?
P1 F7 1.573(6) . ?
P1 F9 1.567(6) . ?
P1 F8 1.538(6) . ?
P1 F38 1.549(6) . ?
P1 F37 1.540(7) . ?
P6 F36 1.561(7) . ?
P6 F35 1.546(8) . ?
P6 F31 1.478(8) . ?
P6 F34 1.454(8) . ?
P6 F33 1.511(9) . ?
P6 F32 1.466(11) . ?
P3 F17 1.572(7) . ?
P3 F39 1.522(7) . ?
P3 F15 1.572(8) . ?
P3 F14 1.581(8) . ?
P3 F18 1.557(8) . ?
P3 F16 1.478(7) . ?
O12 N12 1.146(7) . ?
N43 C153 1.344(8) . ?
N43 C113 1.347(8) . ?
N43 Ru3A 2.089(6) . ?
N52 C162 1.348(8) . ?
N52 C202 1.328(8) . ?
N33 C63 1.334(8) . ?
N33 C103 1.341(8) . ?
N33 Ru3A 2.022(7) . ?
N51 C161 1.323(9) . ?
N51 C201 1.358(9) . ?
N23 C53 1.336(9) . ?
N23 C13 1.339(9) . ?
N23 Ru3A 2.142(6) . ?
N21 C11 1.330(8) . ?
N21 C51 1.332(9) . ?
N53 C203 1.357(9) . ?
N53 C163 1.327(9) . ?
N53 Ru3A 2.215(7) . ?
N42 C112 1.336(9) . ?
N42 C152 1.365(9) . ?
N31 C61 1.348(9) . ?
N31 C101 1.350(8) . ?
N22 C12 1.348(9) . ?
N22 C52 1.343(8) . ?
N32 C62 1.336(9) . ?
N32 C102 1.349(10) . ?
O11 N11 1.143(7) . ?
C162 H162 0.9500 . ?
C162 C172 1.372(9) . ?
N41 C151 1.343(10) . ?
N41 C111 1.326(9) . ?
C62 H62 0.9500 . ?
C62 C72 1.380(10) . ?
C143 H143 0.9500 . ?
C143 C153 1.372(9) . ?
C143 C133 1.371(10) . ?
C153 H153 0.9500 . ?
C133 H133 0.9500 . ?
C133 C123 1.372(11) . ?
C202 H202 0.9500 . ?
C202 C192 1.379(10) . ?
C12 H12 0.9500 . ?
C12 C22 1.362(10) . ?
C61 H61 0.9500 . ?
C61 C71 1.375(10) . ?
C63 H63 0.9500 . ?
C63 C73 1.381(11) . ?
C43 H43 0.9500 . ?
C43 C33 1.371(10) . ?
C43 C53 1.378(10) . ?
C91 H91 0.9500 . ?
C91 C101 1.381(10) . ?
C91 C81 1.367(11) . ?
C113 H113 0.9500 . ?
C113 C123 1.369(10) . ?
C103 H103 0.9500 . ?
C103 C93 1.383(10) . ?
C21 H21 0.9500 . ?
C21 C11 1.372(10) . ?
C21 C31 1.375(11) . ?
C33 H33 0.9500 . ?
C33 C23 1.374(11) . ?
C23 H23 0.9500 . ?
C23 C13 1.379(10) . ?
C93 H93 0.9500 . ?
C93 C83 1.377(11) . ?
C53 H53 0.9500 . ?
C172 H172 0.9500 . ?
C172 C182 1.370(10) . ?
C182 H182 0.9500 . ?
C182 C192 1.374(10) . ?
C13 H13 0.9500 . ?
C11 H11 0.9500 . ?
C71 H71 0.9500 . ?
C71 C81 1.379(10) . ?
C161 H161 0.9500 . ?
C161 C171 1.399(11) . ?
C22 H22 0.9500 . ?
C22 C32 1.374(11) . ?
C192 H192 0.9500 . ?
C112 H112 0.9500 . ?
C112 C122 1.377(11) . ?
C52 H52 0.9500 . ?
C52 C42 1.387(11) . ?
C183 H183 0.9500 . ?
C183 C193 1.358(12) . ?
C183 C173 1.382(11) . ?
C32 H32 0.9500 . ?
C32 C42 1.363(12) . ?
C203 H203 0.9500 . ?
C203 C193 1.365(11) . ?
C83 H83 0.9500 . ?
C83 C73 1.378(12) . ?
C191 H191 0.9500 . ?
C191 C201 1.375(11) . ?
C191 C181 1.348(11) . ?
C72 H72 0.9500 . ?
C72 C82 1.387(12) . ?
C51 H51 0.9500 . ?
C51 C41 1.385(11) . ?
C123 H123 0.9500 . ?
C73 H73 0.9500 . ?
C101 H101 0.9500 . ?
C31 H31 0.9500 . ?
C31 C41 1.363(12) . ?
C201 H201 0.9500 . ?
C171 H171 0.9500 . ?
C171 C181 1.361(12) . ?
C42 H42 0.9500 . ?
C152 H152 0.9500 . ?
C152 C142 1.346(12) . ?
C81 H81 0.9500 . ?
C193 H193 0.9500 . ?
C82 H82 0.9500 . ?
C82 C92 1.375(13) . ?
C181 H181 0.9500 . ?
C151 H151 0.9500 . ?
C151 C141 1.376(11) . ?
C163 H163 0.9500 . ?
C163 C173 1.375(10) . ?
C111 H111 0.9500 . ?
C111 C121 1.378(12) . ?
C122 H122 0.9500 . ?
C122 C132 1.384(14) . ?
C102 H102 0.9500 . ?
C102 C92 1.356(12) . ?
C121 H121 0.9500 . ?
C121 C131 1.369(16) . ?
C41 H41 0.9500 . ?
C173 H173 0.9500 . ?
C132 H132 0.9500 . ?
C132 C142 1.375(15) . ?
C92 H92 0.9500 . ?
C142 H142 0.9500 . ?
C141 H141 0.9500 . ?
C141 C131 1.367(16) . ?
C131 H131 0.9500 . ?
O1 H1A 0.8697 . ?
O1 H1B 0.8693 . ?
N13 O13 1.15(2) . ?
F13A Ru3A 1.92(2) . ?
Ru3A N13A 1.73(3) . ?
N13A O13A 1.16(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F11 Ru1 N51 86.45(19) . . ?
F11 Ru1 N21 86.1(2) . . ?
F11 Ru1 N31 86.22(19) . . ?
F11 Ru1 N41 86.6(2) . . ?
N21 Ru1 N51 91.1(2) . . ?
N21 Ru1 N41 172.7(2) . . ?
N31 Ru1 N51 172.6(2) . . ?
N31 Ru1 N21 89.5(2) . . ?
N31 Ru1 N41 90.3(2) . . ?
N11 Ru1 F11 178.3(2) . . ?
N11 Ru1 N51 94.4(2) . . ?
N11 Ru1 N21 92.4(3) . . ?
N11 Ru1 N31 92.9(2) . . ?
N11 Ru1 N41 94.9(3) . . ?
N41 Ru1 N51 88.1(2) . . ?
F12 Ru2 N52 86.53(19) . . ?
F12 Ru2 N42 87.3(2) . . ?
F12 Ru2 N22 86.4(2) . . ?
F12 Ru2 N32 85.0(2) . . ?
N52 Ru2 N42 90.3(2) . . ?
N52 Ru2 N22 89.8(2) . . ?
N52 Ru2 N32 171.4(2) . . ?
N42 Ru2 N22 173.7(2) . . ?
N42 Ru2 N32 90.6(2) . . ?
N12 Ru2 F12 177.8(2) . . ?
N12 Ru2 N52 95.5(2) . . ?
N12 Ru2 N42 92.0(2) . . ?
N12 Ru2 N22 94.3(2) . . ?
N12 Ru2 N32 93.0(2) . . ?
N32 Ru2 N22 88.3(2) . . ?
N43 Ru3 N33 86.5(2) . . ?
N23 Ru3 N43 168.2(3) . . ?
N23 Ru3 N33 90.0(2) . . ?
N53 Ru3 N43 93.3(2) . . ?
N53 Ru3 N33 169.5(3) . . ?
N53 Ru3 N23 88.1(2) . . ?
F13 Ru3 N43 82.7(5) . . ?
F13 Ru3 N33 83.6(5) . . ?
F13 Ru3 N23 85.7(5) . . ?
F13 Ru3 N53 86.0(5) . . ?
N13 Ru3 N43 94.7(8) . . ?
N13 Ru3 N33 93.5(7) . . ?
N13 Ru3 N23 96.7(8) . . ?
N13 Ru3 N53 97.0(7) . . ?
N13 Ru3 F13 176.2(5) . . ?
F29 P5 F30 179.4(3) . . ?
F25 P5 F29 90.7(3) . . ?
F25 P5 F27 178.9(3) . . ?
F25 P5 F26 90.1(3) . . ?
F25 P5 F30 89.7(3) . . ?
F27 P5 F29 90.3(3) . . ?
F27 P5 F30 89.4(3) . . ?
F26 P5 F29 90.3(3) . . ?
F26 P5 F27 90.3(3) . . ?
F26 P5 F30 89.3(3) . . ?
F28 P5 F29 89.8(3) . . ?
F28 P5 F25 90.3(3) . . ?
F28 P5 F27 89.3(3) . . ?
F28 P5 F26 179.6(3) . . ?
F28 P5 F30 90.6(3) . . ?
F22 P4 F21 89.3(3) . . ?
F24 P4 F22 89.9(3) . . ?
F24 P4 F21 88.4(3) . . ?
F19 P4 F22 90.8(3) . . ?
F19 P4 F24 90.2(2) . . ?
F19 P4 F21 178.6(3) . . ?
F19 P4 F20 90.2(3) . . ?
F20 P4 F22 179.0(3) . . ?
F20 P4 F24 89.7(3) . . ?
F20 P4 F21 89.8(3) . . ?
F23 P4 F22 90.5(3) . . ?
F23 P4 F24 179.0(3) . . ?
F23 P4 F19 90.7(3) . . ?
F23 P4 F21 90.7(3) . . ?
F23 P4 F20 89.8(3) . . ?
F5 P2 F3 88.8(3) . . ?
F4 P2 F5 90.2(2) . . ?
F4 P2 F3 89.7(3) . . ?
F1 P2 F5 90.6(3) . . ?
F1 P2 F4 90.5(3) . . ?
F1 P2 F3 179.4(3) . . ?
F1 P2 F2 90.2(3) . . ?
F2 P2 F5 89.2(3) . . ?
F2 P2 F4 179.2(3) . . ?
F2 P2 F3 89.6(3) . . ?
F6 P2 F5 178.4(3) . . ?
F6 P2 F4 89.3(3) . . ?
F6 P2 F3 89.7(3) . . ?
F6 P2 F1 90.9(3) . . ?
F6 P2 F2 91.2(3) . . ?
F10 P1 F7 88.5(4) . . ?
F9 P1 F10 90.2(4) . . ?
F9 P1 F7 177.2(4) . . ?
F8 P1 F10 178.7(4) . . ?
F8 P1 F7 92.7(4) . . ?
F8 P1 F9 88.6(4) . . ?
F8 P1 F38 92.8(5) . . ?
F8 P1 F37 89.7(6) . . ?
F38 P1 F10 87.6(4) . . ?
F38 P1 F7 89.1(4) . . ?
F38 P1 F9 88.3(4) . . ?
F37 P1 F10 90.0(5) . . ?
F37 P1 F7 89.5(6) . . ?
F37 P1 F9 93.0(6) . . ?
F37 P1 F38 177.2(5) . . ?
F35 P6 F36 176.5(6) . . ?
F31 P6 F36 90.0(5) . . ?
F31 P6 F35 90.1(6) . . ?
F31 P6 F33 166.1(10) . . ?
F34 P6 F36 87.4(6) . . ?
F34 P6 F35 89.2(6) . . ?
F34 P6 F31 103.7(10) . . ?
F34 P6 F33 88.7(9) . . ?
F34 P6 F32 171.3(11) . . ?
F33 P6 F36 84.2(5) . . ?
F33 P6 F35 96.4(6) . . ?
F32 P6 F36 96.7(7) . . ?
F32 P6 F35 86.8(8) . . ?
F32 P6 F31 84.1(9) . . ?
F32 P6 F33 84.0(9) . . ?
F17 P3 F15 89.6(4) . . ?
F17 P3 F14 87.0(4) . . ?
F39 P3 F17 92.8(4) . . ?
F39 P3 F15 169.5(6) . . ?
F39 P3 F14 85.7(5) . . ?
F39 P3 F18 88.3(5) . . ?
F15 P3 F14 84.2(5) . . ?
F18 P3 F17 175.5(6) . . ?
F18 P3 F15 88.6(5) . . ?
F18 P3 F14 88.7(6) . . ?
F16 P3 F17 94.4(6) . . ?
F16 P3 F39 100.0(7) . . ?
F16 P3 F15 90.1(7) . . ?
F16 P3 F14 174.0(7) . . ?
F16 P3 F18 89.7(7) . . ?
C153 N43 Ru3 118.4(4) . . ?
C153 N43 C113 118.4(6) . . ?
C153 N43 Ru3A 124.7(4) . . ?
C113 N43 Ru3 123.2(5) . . ?
C113 N43 Ru3A 115.6(5) . . ?
C162 N52 Ru2 122.4(4) . . ?
C202 N52 Ru2 118.8(4) . . ?
C202 N52 C162 118.7(6) . . ?
C63 N33 Ru3 122.6(5) . . ?
C63 N33 C103 118.5(6) . . ?
C63 N33 Ru3A 112.3(5) . . ?
C103 N33 Ru3 118.8(5) . . ?
C103 N33 Ru3A 129.1(5) . . ?
C161 N51 Ru1 122.7(5) . . ?
C161 N51 C201 118.3(6) . . ?
C201 N51 Ru1 119.0(5) . . ?
C53 N23 Ru3 117.8(5) . . ?
C53 N23 C13 118.7(6) . . ?
C53 N23 Ru3A 128.9(5) . . ?
C13 N23 Ru3 123.4(5) . . ?
C13 N23 Ru3A 112.3(5) . . ?
C11 N21 Ru1 120.6(5) . . ?
C11 N21 C51 118.5(6) . . ?
C51 N21 Ru1 120.4(5) . . ?
C203 N53 Ru3 116.9(5) . . ?
C203 N53 Ru3A 128.7(5) . . ?
C163 N53 Ru3 126.1(5) . . ?
C163 N53 C203 116.8(6) . . ?
C163 N53 Ru3A 114.2(5) . . ?
C112 N42 Ru2 122.4(5) . . ?
C112 N42 C152 118.5(7) . . ?
C152 N42 Ru2 119.1(5) . . ?
C61 N31 Ru1 122.1(5) . . ?
C61 N31 C101 118.6(6) . . ?
C101 N31 Ru1 119.3(5) . . ?
O12 N12 Ru2 177.0(5) . . ?
C12 N22 Ru2 120.9(4) . . ?
C52 N22 Ru2 119.5(5) . . ?
C52 N22 C12 119.2(6) . . ?
C62 N32 Ru2 123.3(5) . . ?
C62 N32 C102 118.0(7) . . ?
C102 N32 Ru2 118.7(5) . . ?
O11 N11 Ru1 178.2(6) . . ?
N52 C162 H162 119.2 . . ?
N52 C162 C172 121.5(6) . . ?
C172 C162 H162 119.2 . . ?
C151 N41 Ru1 118.3(5) . . ?
C111 N41 Ru1 121.8(5) . . ?
C111 N41 C151 119.9(7) . . ?
N32 C62 H62 118.7 . . ?
N32 C62 C72 122.6(7) . . ?
C72 C62 H62 118.7 . . ?
C153 C143 H143 120.0 . . ?
C133 C143 H143 120.0 . . ?
C133 C143 C153 120.0(7) . . ?
N43 C153 C143 121.5(6) . . ?
N43 C153 H153 119.3 . . ?
C143 C153 H153 119.3 . . ?
C143 C133 H133 120.8 . . ?
C143 C133 C123 118.5(7) . . ?
C123 C133 H133 120.8 . . ?
N52 C202 H202 118.9 . . ?
N52 C202 C192 122.3(6) . . ?
C192 C202 H202 118.9 . . ?
N22 C12 H12 119.2 . . ?
N22 C12 C22 121.5(7) . . ?
C22 C12 H12 119.2 . . ?
N31 C61 H61 118.9 . . ?
N31 C61 C71 122.3(7) . . ?
C71 C61 H61 118.9 . . ?
N33 C63 H63 119.0 . . ?
N33 C63 C73 122.0(7) . . ?
C73 C63 H63 119.0 . . ?
C33 C43 H43 120.1 . . ?
C33 C43 C53 119.7(7) . . ?
C53 C43 H43 120.1 . . ?
C101 C91 H91 120.1 . . ?
C81 C91 H91 120.1 . . ?
C81 C91 C101 119.8(7) . . ?
N43 C113 H113 119.0 . . ?
N43 C113 C123 122.0(7) . . ?
C123 C113 H113 119.0 . . ?
N33 C103 H103 118.7 . . ?
N33 C103 C93 122.6(7) . . ?
C93 C103 H103 118.7 . . ?
C11 C21 H21 120.8 . . ?
C11 C21 C31 118.3(7) . . ?
C31 C21 H21 120.8 . . ?
C43 C33 H33 120.7 . . ?
C43 C33 C23 118.7(7) . . ?
C23 C33 H33 120.7 . . ?
C33 C23 H23 120.4 . . ?
C33 C23 C13 119.1(7) . . ?
C13 C23 H23 120.4 . . ?
C103 C93 H93 120.8 . . ?
C83 C93 C103 118.5(8) . . ?
C83 C93 H93 120.8 . . ?
N23 C53 C43 121.7(7) . . ?
N23 C53 H53 119.2 . . ?
C43 C53 H53 119.2 . . ?
C162 C172 H172 120.2 . . ?
C182 C172 C162 119.6(7) . . ?
C182 C172 H172 120.2 . . ?
C172 C182 H182 120.6 . . ?
C172 C182 C192 118.9(7) . . ?
C192 C182 H182 120.6 . . ?
N23 C13 C23 122.1(7) . . ?
N23 C13 H13 119.0 . . ?
C23 C13 H13 119.0 . . ?
N21 C11 C21 123.0(7) . . ?
N21 C11 H11 118.5 . . ?
C21 C11 H11 118.5 . . ?
C61 C71 H71 120.6 . . ?
C61 C71 C81 118.8(7) . . ?
C81 C71 H71 120.6 . . ?
N51 C161 H161 119.4 . . ?
N51 C161 C171 121.2(7) . . ?
C171 C161 H161 119.4 . . ?
C12 C22 H22 120.2 . . ?
C12 C22 C32 119.6(8) . . ?
C32 C22 H22 120.2 . . ?
C202 C192 H192 120.5 . . ?
C182 C192 C202 118.9(7) . . ?
C182 C192 H192 120.5 . . ?
N42 C112 H112 119.0 . . ?
N42 C112 C122 122.1(8) . . ?
C122 C112 H112 119.0 . . ?
N22 C52 H52 119.6 . . ?
N22 C52 C42 120.8(7) . . ?
C42 C52 H52 119.6 . . ?
C193 C183 H183 120.8 . . ?
C193 C183 C173 118.5(8) . . ?
C173 C183 H183 120.8 . . ?
C22 C32 H32 120.5 . . ?
C42 C32 C22 119.1(7) . . ?
C42 C32 H32 120.5 . . ?
N53 C203 H203 118.5 . . ?
N53 C203 C193 123.0(7) . . ?
C193 C203 H203 118.5 . . ?
C93 C83 H83 120.5 . . ?
C93 C83 C73 119.0(7) . . ?
C73 C83 H83 120.5 . . ?
C201 C191 H191 119.8 . . ?
C181 C191 H191 119.8 . . ?
C181 C191 C201 120.5(8) . . ?
C62 C72 H72 120.4 . . ?
C62 C72 C82 119.2(8) . . ?
C82 C72 H72 120.4 . . ?
N21 C51 H51 119.3 . . ?
N21 C51 C41 121.5(7) . . ?
C41 C51 H51 119.3 . . ?
C133 C123 H123 120.2 . . ?
C113 C123 C133 119.6(7) . . ?
C113 C123 H123 120.2 . . ?
C63 C73 H73 120.3 . . ?
C83 C73 C63 119.3(7) . . ?
C83 C73 H73 120.3 . . ?
N31 C101 C91 121.2(7) . . ?
N31 C101 H101 119.4 . . ?
C91 C101 H101 119.4 . . ?
C21 C31 H31 120.4 . . ?
C41 C31 C21 119.1(8) . . ?
C41 C31 H31 120.4 . . ?
N51 C201 C191 121.5(8) . . ?
N51 C201 H201 119.2 . . ?
C191 C201 H201 119.2 . . ?
C161 C171 H171 119.9 . . ?
C181 C171 C161 120.3(8) . . ?
C181 C171 H171 119.9 . . ?
C52 C42 H42 120.2 . . ?
C32 C42 C52 119.6(7) . . ?
C32 C42 H42 120.2 . . ?
N42 C152 H152 119.0 . . ?
C142 C152 N42 122.0(9) . . ?
C142 C152 H152 119.0 . . ?
C91 C81 C71 119.3(7) . . ?
C91 C81 H81 120.3 . . ?
C71 C81 H81 120.3 . . ?
C183 C193 C203 119.5(8) . . ?
C183 C193 H193 120.2 . . ?
C203 C193 H193 120.2 . . ?
C72 C82 H82 121.4 . . ?
C92 C82 C72 117.3(8) . . ?
C92 C82 H82 121.4 . . ?
C191 C181 C171 118.2(8) . . ?
C191 C181 H181 120.9 . . ?
C171 C181 H181 120.9 . . ?
N41 C151 H151 119.3 . . ?
N41 C151 C141 121.4(9) . . ?
C141 C151 H151 119.3 . . ?
N53 C163 H163 118.5 . . ?
N53 C163 C173 123.0(7) . . ?
C173 C163 H163 118.5 . . ?
N41 C111 H111 119.7 . . ?
N41 C111 C121 120.5(9) . . ?
C121 C111 H111 119.7 . . ?
C112 C122 H122 120.7 . . ?
C112 C122 C132 118.5(9) . . ?
C132 C122 H122 120.7 . . ?
N32 C102 H102 119.1 . . ?
N32 C102 C92 121.8(8) . . ?
C92 C102 H102 119.1 . . ?
C111 C121 H121 119.8 . . ?
C131 C121 C111 120.4(9) . . ?
C131 C121 H121 119.8 . . ?
C51 C41 H41 120.3 . . ?
C31 C41 C51 119.5(8) . . ?
C31 C41 H41 120.3 . . ?
C183 C173 H173 120.4 . . ?
C163 C173 C183 119.2(8) . . ?
C163 C173 H173 120.4 . . ?
C122 C132 H132 120.3 . . ?
C142 C132 C122 119.3(8) . . ?
C142 C132 H132 120.3 . . ?
C82 C92 H92 119.4 . . ?
C102 C92 C82 121.1(9) . . ?
C102 C92 H92 119.4 . . ?
C152 C142 C132 119.6(9) . . ?
C152 C142 H142 120.2 . . ?
C132 C142 H142 120.2 . . ?
C151 C141 H141 120.4 . . ?
C131 C141 C151 119.3(10) . . ?
C131 C141 H141 120.4 . . ?
C121 C131 H131 120.7 . . ?
C141 C131 C121 118.6(9) . . ?
C141 C131 H131 120.7 . . ?
H1A O1 H1B 104.6 . . ?
O13 N13 Ru3 169(2) . . ?
N43 Ru3A N23 166.5(4) . . ?
N43 Ru3A N53 90.1(3) . . ?
N33 Ru3A N43 90.6(3) . . ?
N33 Ru3A N23 92.6(2) . . ?
N33 Ru3A N53 166.1(4) . . ?
N23 Ru3A N53 83.7(3) . . ?
F13A Ru3A N43 81.0(9) . . ?
F13A Ru3A N33 84.8(9) . . ?
F13A Ru3A N23 86.2(9) . . ?
F13A Ru3A N53 81.6(9) . . ?
N13A Ru3A N43 96.6(12) . . ?
N13A Ru3A N33 98.6(11) . . ?
N13A Ru3A N23 95.9(12) . . ?
N13A Ru3A N53 95.2(10) . . ?
N13A Ru3A F13A 175.9(11) . . ?
O13A N13A Ru3A 168(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N51 C161 C171 177.5(7) . . . . ?
Ru1 N51 C201 C191 -179.6(7) . . . . ?
Ru1 N21 C11 C21 -171.3(5) . . . . ?
Ru1 N21 C51 C41 172.2(6) . . . . ?
Ru1 N31 C61 C71 179.4(5) . . . . ?
Ru1 N31 C101 C91 -179.9(5) . . . . ?
Ru1 N41 C151 C141 175.0(8) . . . . ?
Ru1 N41 C111 C121 -176.1(7) . . . . ?
Ru2 N52 C162 C172 -176.5(5) . . . . ?
Ru2 N52 C202 C192 177.4(5) . . . . ?
Ru2 N42 C112 C122 -175.3(6) . . . . ?
Ru2 N42 C152 C142 175.9(6) . . . . ?
Ru2 N22 C12 C22 -172.2(5) . . . . ?
Ru2 N22 C52 C42 171.1(6) . . . . ?
Ru2 N32 C62 C72 -177.4(6) . . . . ?
Ru2 N32 C102 C92 178.4(9) . . . . ?
Ru3 N43 C153 C143 -179.9(5) . . . . ?
Ru3 N43 C113 C123 179.6(6) . . . . ?
Ru3 N33 C63 C73 -175.2(5) . . . . ?
Ru3 N33 C103 C93 175.1(6) . . . . ?
Ru3 N23 C53 C43 -179.7(6) . . . . ?
Ru3 N23 C13 C23 178.5(6) . . . . ?
Ru3 N53 C203 C193 176.2(6) . . . . ?
Ru3 N53 C163 C173 -176.9(7) . . . . ?
N43 Ru3 N13 O13 -47(8) . . . . ?
N43 C113 C123 C133 -0.9(12) . . . . ?
N43 Ru3A N13A O13A -66(15) . . . . ?
N52 C162 C172 C182 -0.7(11) . . . . ?
N52 C202 C192 C182 -0.9(11) . . . . ?
N33 Ru3 N13 O13 -133(8) . . . . ?
N33 C63 C73 C83 0.5(11) . . . . ?
N33 C103 C93 C83 0.0(11) . . . . ?
N33 Ru3A N13A O13A 25(16) . . . . ?
N51 C161 C171 C181 1.9(15) . . . . ?
N23 Ru3 N13 O13 136(8) . . . . ?
N23 Ru3A N13A O13A 119(15) . . . . ?
N21 C51 C41 C31 -1.1(13) . . . . ?
N53 Ru3 N13 O13 47(8) . . . . ?
N53 C203 C193 C183 0.1(12) . . . . ?
N53 C163 C173 C183 2.3(14) . . . . ?
N53 Ru3A N13A O13A -157(15) . . . . ?
N42 C112 C122 C132 -0.9(12) . . . . ?
N42 C152 C142 C132 -0.3(13) . . . . ?
N31 C61 C71 C81 0.7(11) . . . . ?
N22 C12 C22 C32 2.7(11) . . . . ?
N22 C52 C42 C32 -0.3(12) . . . . ?
N32 C62 C72 C82 -0.9(13) . . . . ?
N32 C102 C92 C82 -1.1(18) . . . . ?
C162 N52 C202 C192 0.9(10) . . . . ?
C162 C172 C182 C192 0.7(11) . . . . ?
N41 C151 C141 C131 0.9(18) . . . . ?
N41 C111 C121 C131 1.5(16) . . . . ?
C62 N32 C102 C92 -0.4(15) . . . . ?
C62 C72 C82 C92 -0.6(15) . . . . ?
C143 C133 C123 C113 1.4(11) . . . . ?
C153 N43 C113 C123 0.5(11) . . . . ?
C153 C143 C133 C123 -1.6(11) . . . . ?
C133 C143 C153 N43 1.3(11) . . . . ?
C202 N52 C162 C172 -0.1(10) . . . . ?
C12 N22 C52 C42 -2.1(10) . . . . ?
C12 C22 C32 C42 -5.1(12) . . . . ?
C61 N31 C101 C91 0.8(10) . . . . ?
C61 C71 C81 C91 0.3(11) . . . . ?
C63 N33 C103 C93 -0.7(10) . . . . ?
C43 C33 C23 C13 -1.2(12) . . . . ?
C113 N43 C153 C143 -0.7(10) . . . . ?
C103 N33 C63 C73 0.5(10) . . . . ?
C103 C93 C83 C73 1.0(12) . . . . ?
C21 C31 C41 C51 1.8(13) . . . . ?
C33 C43 C53 N23 1.9(12) . . . . ?
C33 C23 C13 N23 0.3(12) . . . . ?
C93 C83 C73 C63 -1.2(11) . . . . ?
C53 N23 C13 C23 1.7(11) . . . . ?
C53 C43 C33 C23 0.1(12) . . . . ?
C172 C182 C192 C202 0.1(11) . . . . ?
C13 N23 C53 C43 -2.8(11) . . . . ?
C11 N21 C51 C41 -0.4(11) . . . . ?
C11 C21 C31 C41 -1.0(12) . . . . ?
C161 N51 C201 C191 -1.3(13) . . . . ?
C161 C171 C181 C191 -1.0(15) . . . . ?
C22 C32 C42 C52 3.9(12) . . . . ?
C112 N42 C152 C142 -1.2(11) . . . . ?
C112 C122 C132 C142 -0.6(13) . . . . ?
C52 N22 C12 C22 0.9(10) . . . . ?
C203 N53 C163 C173 -2.4(12) . . . . ?
C72 C82 C92 C102 1.6(17) . . . . ?
C51 N21 C11 C21 1.2(10) . . . . ?
C101 N31 C61 C71 -1.3(10) . . . . ?
C101 C91 C81 C71 -0.8(11) . . . . ?
C31 C21 C11 N21 -0.5(11) . . . . ?
C201 N51 C161 C171 -0.7(12) . . . . ?
C201 C191 C181 C171 -1.0(15) . . . . ?
C152 N42 C112 C122 1.8(10) . . . . ?
C81 C91 C101 N31 0.2(11) . . . . ?
C193 C183 C173 C163 -0.8(13) . . . . ?
C181 C191 C201 N51 2.3(15) . . . . ?
C151 N41 C111 C121 0.9(13) . . . . ?
C151 C141 C131 C121 1(2) . . . . ?
C163 N53 C203 C193 1.3(11) . . . . ?
C111 N41 C151 C141 -2.1(14) . . . . ?
C111 C121 C131 C141 -2.6(19) . . . . ?
C122 C132 C142 C152 1.2(13) . . . . ?
C102 N32 C62 C72 1.4(12) . . . . ?
C173 C183 C193 C203 -0.3(13) . . . . ?
Ru3A N43 C153 C143 -167.0(5) . . . . ?
Ru3A N43 C113 C123 168.0(6) . . . . ?
Ru3A N33 C63 C73 177.1(6) . . . . ?
Ru3A N33 C103 C93 -176.7(5) . . . . ?
Ru3A N23 C53 C43 173.2(6) . . . . ?
Ru3A N23 C13 C23 -174.9(6) . . . . ?
Ru3A N53 C203 C193 174.9(6) . . . . ?
Ru3A N53 C163 C173 -177.0(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
