# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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 
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data_1_0m
_database_code_depnum_ccdc_archive 'CCDC 2165850'
loop_
_audit_author_name
_audit_author_address
RuCYS
;Jiangxi Science and Technology Normal University
China
;
_audit_update_record             
;
2022-04-11 deposited with the CCDC.	2022-09-16 downloaded from the CCDC.
;
_audit_creation_date             2021-09-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C49 H40 N8 Ru, 2(F6 P), C H4 O'
_chemical_formula_sum            'C50 H44 F12 N8 O P2 Ru'
_chemical_formula_weight         1163.94
_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 21/n'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.2796(14)
_cell_length_b                   23.099(3)
_cell_length_c                   18.796(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.087(4)
_cell_angle_gamma                90
_cell_volume                     4878.0(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8418
_cell_measurement_temperature    170.0
_cell_measurement_theta_max      26.343
_cell_measurement_theta_min      2.175
_shelx_estimated_absorpt_T_max   0.949
_shelx_estimated_absorpt_T_min   0.889
_exptl_absorpt_coefficient_mu    0.481
_exptl_absorpt_correction_T_max  0.1495
_exptl_absorpt_correction_T_min  0.0607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1471 before and 0.1200 after correction.
The Ratio of minimum to maximum transmission is 0.4060.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1129
_diffrn_reflns_av_unetI/netI     0.0959
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32959
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.016
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5745
_reflns_number_total             8617
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXD-1997  (Sheldrick, 2008)'
_refine_diff_density_max         1.300
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.115
_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     673
_refine_ls_number_reflns         8617
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1175
_refine_ls_R_factor_gt           0.0782
_refine_ls_restrained_S_all      1.022
_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)+(0.1197P)²+8.1768P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1933
_refine_ls_wR_factor_ref         0.2290
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N3(H3), C45(H45), C10(H10), C1(H1), C26(H26), C29(H29), C33(H33), C48(H48),
 C8(H8), C3(H3A), C47(H47), C25(H25), C9(H9), C27(H27), C36(H36), C24(H24),
 C38(H38), C2(H2), C35(H35), C16(H16), C15(H15), C19(H19), C23(H23), C18(H18),
 C41(H41), C21(H21), C39(H39), C22(H22)
2.b Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C49(H49A,H49B,H49C), C37(H37A,H37B,H37C), C43(H43A,H43B,
 H43C), C50(H50A,H50B,H50C)
2.c Idealised tetrahedral OH refined as rotating group:
 O1(H1A)
;
_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
Ru01 Ru 0.68871(5) 0.13688(2) 0.31089(3) 0.0410(2) Uani 1 1 d . . . . .
P1 P 0.20238(18) 0.17983(9) 0.46973(11) 0.0579(5) Uani 1 1 d . . . . .
P2 P 0.17075(17) 0.43507(9) 0.29684(11) 0.0579(5) Uani 1 1 d . . . . .
N8 N 0.7996(5) 0.1892(2) 0.2583(3) 0.0431(12) Uani 1 1 d . . . . .
N4 N 0.5922(5) 0.3511(2) 0.5321(3) 0.0457(13) Uani 1 1 d . . . . .
N1 N 0.5568(5) 0.1989(2) 0.3047(3) 0.0420(12) Uani 1 1 d . . . . .
N2 N 0.7271(5) 0.1777(2) 0.4071(3) 0.0416(12) Uani 1 1 d . . . . .
N7 N 0.6432(5) 0.1141(2) 0.2057(3) 0.0438(13) Uani 1 1 d . . . . .
N5 N 0.5890(5) 0.0744(2) 0.3567(3) 0.0424(12) Uani 1 1 d . . . . .
N6 N 0.8131(5) 0.0727(2) 0.3315(3) 0.0425(12) Uani 1 1 d . . . . .
N3 N 0.4397(5) 0.3635(2) 0.4499(3) 0.0434(13) Uani 1 1 d . . . . .
H3 H 0.3749 0.3783 0.4274 0.052 Uiso 1 1 calc R U . . .
F4 F 0.1446(5) 0.1978(3) 0.5405(3) 0.110(2) Uani 1 1 d . . . . .
F1 F 0.2606(6) 0.1643(3) 0.4001(3) 0.112(2) Uani 1 1 d . . . . .
C6 C 0.5956(6) 0.3093(3) 0.4805(3) 0.0413(15) Uani 1 1 d . . . . .
O1 O 0.7409(6) 0.3424(3) 0.6611(3) 0.086(2) Uani 1 1 d . . . . .
H1A H 0.7083 0.3595 0.6251 0.129 Uiso 1 1 calc R U . . .
C13 C 0.4981(6) 0.3837(3) 0.5125(4) 0.0420(15) Uani 1 1 d . . . . .
C12 C 0.5623(5) 0.2355(3) 0.3624(3) 0.0393(14) Uani 1 1 d . . . . .
C5 C 0.5006(6) 0.3163(3) 0.4292(3) 0.0409(14) Uani 1 1 d . . . . .
C30 C 0.6478(6) 0.0240(3) 0.3763(3) 0.0408(14) Uani 1 1 d . . . . .
C11 C 0.6578(6) 0.2259(3) 0.4169(3) 0.0407(14) Uani 1 1 d . . . . .
C44 C 0.7863(6) 0.1874(3) 0.1868(4) 0.0447(16) Uani 1 1 d . . . . .
C32 C 0.7760(6) 0.0250(3) 0.3649(3) 0.0429(15) Uani 1 1 d . . . . .
C45 C 0.8620(6) 0.2175(3) 0.1448(4) 0.0454(15) Uani 1 1 d . . . . .
H45 H 0.8508 0.2146 0.0943 0.054 Uiso 1 1 calc R U . . .
F6 F 0.2654(7) 0.2396(3) 0.4731(3) 0.121(2) Uani 1 1 d . . . . .
F9 F 0.2690(7) 0.4197(3) 0.3561(4) 0.147(3) Uani 1 1 d . . . . .
C17 C 0.3809(6) 0.5213(3) 0.6406(4) 0.0439(15) Uani 1 1 d . . . . .
C4 C 0.4815(6) 0.2809(3) 0.3687(3) 0.0422(15) Uani 1 1 d . . . . .
C46 C 0.9526(6) 0.2512(3) 0.1762(4) 0.0498(17) Uani 1 1 d . . . . .
C7 C 0.6774(5) 0.2626(3) 0.4762(3) 0.0400(14) Uani 1 1 d . . . . .
C20 C 0.3409(6) 0.5668(3) 0.6900(4) 0.0473(16) Uani 1 1 d . . . . .
C14 C 0.4565(6) 0.4326(3) 0.5530(4) 0.0469(16) Uani 1 1 d . . . . .
C10 C 0.8170(6) 0.1677(3) 0.4570(4) 0.0495(17) Uani 1 1 d . . . . .
H10 H 0.8649 0.1343 0.4522 0.059 Uiso 1 1 calc R U . . .
F3 F 0.0940(5) 0.2063(4) 0.4243(4) 0.138(3) Uani 1 1 d . . . . .
C1 C 0.4673(6) 0.2070(3) 0.2540(4) 0.0480(16) Uani 1 1 d . . . . .
H1 H 0.4626 0.1824 0.2134 0.058 Uiso 1 1 calc R U . . .
C26 C 0.4739(6) 0.0781(3) 0.3696(4) 0.0456(15) Uani 1 1 d . . . . .
H26 H 0.4328 0.1133 0.3586 0.055 Uiso 1 1 calc R U . . .
C28 C 0.4682(6) -0.0188(3) 0.4149(4) 0.0466(16) Uani 1 1 d . . . . .
C29 C 0.5892(6) -0.0225(3) 0.4038(3) 0.0436(15) Uani 1 1 d . . . . .
H29 H 0.6315 -0.0573 0.4154 0.052 Uiso 1 1 calc R U . . .
C33 C 0.8538(6) -0.0183(3) 0.3904(4) 0.0489(16) Uani 1 1 d . . . . .
H33 H 0.8253 -0.0507 0.4149 0.059 Uiso 1 1 calc R U . . .
C48 C 0.8888(6) 0.2228(3) 0.2896(4) 0.0489(16) Uani 1 1 d . . . . .
H48 H 0.8989 0.2253 0.3403 0.059 Uiso 1 1 calc R U . . .
F5 F 0.3049(7) 0.1510(3) 0.5174(4) 0.139(3) Uani 1 1 d . . . . .
C42 C 0.6874(7) 0.1497(3) 0.1570(4) 0.0483(16) Uani 1 1 d . . . . .
C8 C 0.7742(6) 0.2510(3) 0.5263(4) 0.0488(17) Uani 1 1 d . . . . .
H8 H 0.7913 0.2752 0.5668 0.059 Uiso 1 1 calc R U . . .
C3 C 0.3858(6) 0.2859(3) 0.3142(4) 0.0481(16) Uani 1 1 d . . . . .
H3A H 0.3261 0.3145 0.3175 0.058 Uiso 1 1 calc R U . . .
F11 F 0.0721(6) 0.4478(3) 0.3480(4) 0.129(2) Uani 1 1 d . . . . .
C47 C 0.9641(6) 0.2531(3) 0.2502(4) 0.0523(17) Uani 1 1 d . . . . .
H47 H 1.0255 0.2759 0.2740 0.063 Uiso 1 1 calc R U . . .
F7 F 0.1294(6) 0.3709(2) 0.2956(6) 0.157(4) Uani 1 1 d . . . . .
C34 C 0.9726(6) -0.0141(3) 0.3798(4) 0.0555(18) Uani 1 1 d . . . . .
C25 C 0.4221(6) 0.6027(3) 0.7272(4) 0.0570(19) Uani 1 1 d . . . . .
H25 H 0.5040 0.5997 0.7194 0.068 Uiso 1 1 calc R U . . .
C9 C 0.8437(6) 0.2033(3) 0.5151(4) 0.0555(18) Uani 1 1 d . . . . .
H9 H 0.9107 0.1950 0.5477 0.067 Uiso 1 1 calc R U . . .
C27 C 0.4126(6) 0.0333(3) 0.3978(4) 0.0510(17) Uani 1 1 d . . . . .
H27 H 0.3312 0.0383 0.4057 0.061 Uiso 1 1 calc R U . . .
F12 F 0.0724(6) 0.4511(4) 0.2360(4) 0.148(3) Uani 1 1 d . . . . .
C36 C 0.9275(6) 0.0745(3) 0.3192(4) 0.0552(18) Uani 1 1 d . . . . .
H36 H 0.9542 0.1063 0.2928 0.066 Uiso 1 1 calc R U . . .
C31 C 0.4048(6) -0.0699(3) 0.4415(4) 0.0541(18) Uani 1 1 d . . . . .
H31A H 0.3656 -0.0912 0.4010 0.081 Uiso 1 1 calc R U . . .
H31B H 0.3450 -0.0568 0.4727 0.081 Uiso 1 1 calc R U . . .
H31C H 0.4621 -0.0953 0.4685 0.081 Uiso 1 1 calc R U . . .
C24 C 0.3868(7) 0.6429(3) 0.7755(5) 0.060(2) Uani 1 1 d . . . . .
H24 H 0.4441 0.6677 0.7999 0.073 Uiso 1 1 calc R U . . .
C38 C 0.5560(7) 0.0766(3) 0.1823(4) 0.0575(19) Uani 1 1 d . . . . .
H38 H 0.5274 0.0496 0.2149 0.069 Uiso 1 1 calc R U . . .
C2 C 0.3808(6) 0.2495(3) 0.2576(4) 0.0531(18) Uani 1 1 d . . . . .
H2 H 0.3183 0.2529 0.2205 0.064 Uiso 1 1 calc R U . . .
F10 F 0.2079(6) 0.4986(3) 0.3006(6) 0.173(4) Uani 1 1 d . . . . .
C35 C 1.0091(7) 0.0331(3) 0.3425(4) 0.0587(19) Uani 1 1 d . . . . .
H35 H 1.0900 0.0369 0.3330 0.070 Uiso 1 1 calc R U . . .
C16 C 0.3081(7) 0.4995(3) 0.5845(4) 0.0603(19) Uani 1 1 d . . . . .
H16 H 0.2300 0.5149 0.5755 0.072 Uiso 1 1 calc R U . . .
C15 C 0.3440(6) 0.4560(3) 0.5405(4) 0.0577(19) Uani 1 1 d . . . . .
H15 H 0.2914 0.4424 0.5019 0.069 Uiso 1 1 calc R U . . .
C19 C 0.5332(7) 0.4566(3) 0.6072(4) 0.061(2) Uani 1 1 d . . . . .
H19 H 0.6128 0.4429 0.6145 0.073 Uiso 1 1 calc R U . . .
C23 C 0.2707(7) 0.6471(3) 0.7881(5) 0.060(2) Uani 1 1 d . . . . .
H23 H 0.2464 0.6752 0.8208 0.072 Uiso 1 1 calc R U . . .
C18 C 0.4951(6) 0.4999(3) 0.6505(4) 0.0578(19) Uani 1 1 d . . . . .
H18 H 0.5487 0.5152 0.6877 0.069 Uiso 1 1 calc R U . . .
C41 C 0.6412(8) 0.1507(3) 0.0871(4) 0.063(2) Uani 1 1 d . . . . .
H41 H 0.6745 0.1762 0.0546 0.076 Uiso 1 1 calc R U . . .
C21 C 0.2240(7) 0.5715(3) 0.7039(5) 0.063(2) Uani 1 1 d . . . . .
H21 H 0.1662 0.5473 0.6790 0.075 Uiso 1 1 calc R U . . .
C40 C 0.5474(8) 0.1155(4) 0.0625(4) 0.071(2) Uani 1 1 d . . . . .
C39 C 0.5079(8) 0.0766(3) 0.1127(5) 0.066(2) Uani 1 1 d . . . . .
H39 H 0.4467 0.0497 0.0982 0.079 Uiso 1 1 calc R U . . .
F8 F 0.2635(7) 0.4230(5) 0.2445(5) 0.186(4) Uani 1 1 d . . . . .
F2 F 0.1368(11) 0.1211(4) 0.4698(5) 0.186(4) Uani 1 1 d . . . . .
C49 C 1.0343(8) 0.2844(4) 0.1331(5) 0.070(2) Uani 1 1 d . . . . .
H49A H 1.1125 0.2655 0.1364 0.105 Uiso 1 1 calc R U . . .
H49B H 1.0428 0.3240 0.1516 0.105 Uiso 1 1 calc R U . . .
H49C H 1.0014 0.2854 0.0831 0.105 Uiso 1 1 calc R U . . .
C22 C 0.1881(7) 0.6107(3) 0.7536(5) 0.066(2) Uani 1 1 d . . . . .
H22 H 0.1071 0.6125 0.7637 0.079 Uiso 1 1 calc R U . . .
C37 C 1.0600(7) -0.0597(4) 0.4097(5) 0.073(2) Uani 1 1 d . . . . .
H37A H 1.1113 -0.0432 0.4494 0.110 Uiso 1 1 calc R U . . .
H37B H 1.1090 -0.0725 0.3721 0.110 Uiso 1 1 calc R U . . .
H37C H 1.0161 -0.0927 0.4268 0.110 Uiso 1 1 calc R U . . .
C43 C 0.4894(11) 0.1201(5) -0.0130(5) 0.107(4) Uani 1 1 d . . . . .
H43A H 0.4118 0.1392 -0.0124 0.161 Uiso 1 1 calc R U . . .
H43B H 0.4784 0.0813 -0.0335 0.161 Uiso 1 1 calc R U . . .
H43C H 0.5403 0.1430 -0.0420 0.161 Uiso 1 1 calc R U . . .
C50 C 0.6925(9) 0.3636(4) 0.7241(5) 0.082(3) Uani 1 1 d . . . . .
H50A H 0.6055 0.3645 0.7164 0.123 Uiso 1 1 calc R U . . .
H50B H 0.7224 0.4028 0.7346 0.123 Uiso 1 1 calc R U . . .
H50C H 0.7167 0.3381 0.7645 0.123 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
Ru01 N8 2.054(5) . ?
Ru01 N1 2.062(5) . ?
Ru01 N2 2.052(5) . ?
Ru01 N7 2.067(6) . ?
Ru01 N5 2.064(5) . ?
Ru01 N6 2.054(5) . ?
P1 F4 1.588(6) . ?
P1 F1 1.557(6) . ?
P1 F6 1.551(6) . ?
P1 F3 1.553(6) . ?
P1 F5 1.549(6) . ?
P1 F2 1.545(7) . ?
P2 F9 1.542(6) . ?
P2 F11 1.561(7) . ?
P2 F7 1.554(6) . ?
P2 F12 1.565(6) . ?
P2 F10 1.526(7) . ?
P2 F8 1.524(7) . ?
N8 C44 1.341(8) . ?
N8 C48 1.362(8) . ?
N4 C6 1.371(8) . ?
N4 C13 1.327(8) . ?
N1 C12 1.372(8) . ?
N1 C1 1.338(8) . ?
N2 C11 1.382(7) . ?
N2 C10 1.339(8) . ?
N7 C42 1.358(8) . ?
N7 C38 1.355(9) . ?
N5 C30 1.375(8) . ?
N5 C26 1.344(8) . ?
N6 C32 1.354(8) . ?
N6 C36 1.331(8) . ?
N3 H3 0.8800 . ?
N3 C13 1.378(8) . ?
N3 C5 1.365(8) . ?
C6 C5 1.385(8) . ?
C6 C7 1.427(8) . ?
O1 H1A 0.8400 . ?
O1 C50 1.434(11) . ?
C13 C14 1.462(9) . ?
C12 C11 1.437(8) . ?
C12 C4 1.401(8) . ?
C5 C4 1.401(9) . ?
C30 C32 1.480(9) . ?
C30 C29 1.385(9) . ?
C11 C7 1.401(9) . ?
C44 C45 1.397(9) . ?
C44 C42 1.484(9) . ?
C32 C33 1.387(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.376(9) . ?
C17 C20 1.499(9) . ?
C17 C16 1.375(10) . ?
C17 C18 1.376(9) . ?
C4 C3 1.425(9) . ?
C46 C47 1.386(10) . ?
C46 C49 1.490(10) . ?
C7 C8 1.404(9) . ?
C20 C25 1.379(10) . ?
C20 C21 1.371(10) . ?
C14 C15 1.381(9) . ?
C14 C19 1.391(10) . ?
C10 H10 0.9500 . ?
C10 C9 1.378(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.389(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.377(9) . ?
C28 C29 1.401(9) . ?
C28 C27 1.381(9) . ?
C28 C31 1.490(9) . ?
C29 H29 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.376(10) . ?
C48 H48 0.9500 . ?
C48 C47 1.369(10) . ?
C42 C41 1.370(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.378(9) . ?
C3 H3A 0.9500 . ?
C3 C2 1.353(9) . ?
C47 H47 0.9500 . ?
C34 C35 1.377(10) . ?
C34 C37 1.516(10) . ?
C25 H25 0.9500 . ?
C25 C24 1.382(10) . ?
C9 H9 0.9500 . ?
C27 H27 0.9500 . ?
C36 H36 0.9500 . ?
C36 C35 1.373(10) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C24 H24 0.9500 . ?
C24 C23 1.355(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.371(11) . ?
C2 H2 0.9500 . ?
C35 H35 0.9500 . ?
C16 H16 0.9500 . ?
C16 C15 1.383(10) . ?
C15 H15 0.9500 . ?
C19 H19 0.9500 . ?
C19 C18 1.384(10) . ?
C23 H23 0.9500 . ?
C23 C22 1.374(11) . ?
C18 H18 0.9500 . ?
C41 H41 0.9500 . ?
C41 C40 1.380(11) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(10) . ?
C40 C39 1.405(12) . ?
C40 C43 1.513(13) . ?
C39 H39 0.9500 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C22 H22 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 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
N8 Ru01 N1 91.8(2) . . ?
N8 Ru01 N7 78.5(2) . . ?
N8 Ru01 N5 171.7(2) . . ?
N1 Ru01 N7 90.4(2) . . ?
N1 Ru01 N5 95.3(2) . . ?
N2 Ru01 N8 93.7(2) . . ?
N2 Ru01 N1 79.9(2) . . ?
N2 Ru01 N7 167.36(19) . . ?
N2 Ru01 N5 91.9(2) . . ?
N2 Ru01 N6 94.5(2) . . ?
N5 Ru01 N7 97.1(2) . . ?
N6 Ru01 N8 94.6(2) . . ?
N6 Ru01 N1 171.8(2) . . ?
N6 Ru01 N7 96.0(2) . . ?
N6 Ru01 N5 78.8(2) . . ?
F1 P1 F4 178.1(4) . . ?
F6 P1 F4 87.4(4) . . ?
F6 P1 F1 90.8(4) . . ?
F6 P1 F3 90.5(5) . . ?
F3 P1 F4 89.8(4) . . ?
F3 P1 F1 89.9(4) . . ?
F5 P1 F4 88.2(4) . . ?
F5 P1 F1 92.2(4) . . ?
F5 P1 F6 92.5(5) . . ?
F5 P1 F3 176.4(5) . . ?
F2 P1 F4 89.8(5) . . ?
F2 P1 F1 92.1(5) . . ?
F2 P1 F6 177.1(5) . . ?
F2 P1 F3 89.6(5) . . ?
F2 P1 F5 87.4(5) . . ?
F9 P2 F11 96.0(5) . . ?
F9 P2 F7 89.2(4) . . ?
F9 P2 F12 179.1(5) . . ?
F11 P2 F12 84.7(4) . . ?
F7 P2 F11 87.7(5) . . ?
F7 P2 F12 91.3(5) . . ?
F10 P2 F9 90.6(4) . . ?
F10 P2 F11 89.9(5) . . ?
F10 P2 F7 177.6(6) . . ?
F10 P2 F12 88.9(5) . . ?
F8 P2 F9 86.2(5) . . ?
F8 P2 F11 177.8(5) . . ?
F8 P2 F7 92.2(6) . . ?
F8 P2 F12 93.1(5) . . ?
F8 P2 F10 90.3(6) . . ?
C44 N8 Ru01 116.5(4) . . ?
C44 N8 C48 117.6(6) . . ?
C48 N8 Ru01 125.8(5) . . ?
C13 N4 C6 106.0(5) . . ?
C12 N1 Ru01 113.6(4) . . ?
C1 N1 Ru01 129.2(4) . . ?
C1 N1 C12 117.1(5) . . ?
C11 N2 Ru01 114.2(4) . . ?
C10 N2 Ru01 128.7(4) . . ?
C10 N2 C11 116.6(6) . . ?
C42 N7 Ru01 114.5(4) . . ?
C38 N7 Ru01 125.8(5) . . ?
C38 N7 C42 118.0(6) . . ?
C30 N5 Ru01 115.8(4) . . ?
C26 N5 Ru01 127.0(4) . . ?
C26 N5 C30 117.2(5) . . ?
C32 N6 Ru01 116.2(4) . . ?
C36 N6 Ru01 127.0(5) . . ?
C36 N6 C32 116.7(5) . . ?
C13 N3 H3 126.3 . . ?
C5 N3 H3 126.3 . . ?
C5 N3 C13 107.5(5) . . ?
N4 C6 C5 110.0(5) . . ?
N4 C6 C7 129.1(6) . . ?
C5 C6 C7 120.8(6) . . ?
C50 O1 H1A 109.5 . . ?
N4 C13 N3 110.7(5) . . ?
N4 C13 C14 125.4(6) . . ?
N3 C13 C14 123.7(6) . . ?
N1 C12 C11 116.6(5) . . ?
N1 C12 C4 122.9(6) . . ?
C4 C12 C11 120.5(6) . . ?
N3 C5 C6 105.7(5) . . ?
N3 C5 C4 130.7(6) . . ?
C6 C5 C4 123.5(6) . . ?
N5 C30 C32 113.7(5) . . ?
N5 C30 C29 121.4(6) . . ?
C29 C30 C32 124.8(6) . . ?
N2 C11 C12 115.2(6) . . ?
N2 C11 C7 122.9(5) . . ?
C7 C11 C12 121.9(5) . . ?
N8 C44 C45 122.1(6) . . ?
N8 C44 C42 114.2(6) . . ?
C45 C44 C42 123.7(6) . . ?
N6 C32 C30 115.2(5) . . ?
N6 C32 C33 122.4(6) . . ?
C33 C32 C30 122.3(6) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 C44 120.5(7) . . ?
C46 C45 H45 119.7 . . ?
C16 C17 C20 122.7(6) . . ?
C16 C17 C18 117.5(6) . . ?
C18 C17 C20 119.9(6) . . ?
C12 C4 C3 117.2(6) . . ?
C5 C4 C12 116.7(6) . . ?
C5 C4 C3 126.0(6) . . ?
C45 C46 C47 116.5(6) . . ?
C45 C46 C49 122.0(7) . . ?
C47 C46 C49 121.4(7) . . ?
C11 C7 C6 116.5(5) . . ?
C11 C7 C8 118.4(6) . . ?
C8 C7 C6 125.1(6) . . ?
C25 C20 C17 120.8(6) . . ?
C21 C20 C17 121.4(6) . . ?
C21 C20 C25 117.6(6) . . ?
C15 C14 C13 123.2(6) . . ?
C15 C14 C19 118.0(6) . . ?
C19 C14 C13 118.8(6) . . ?
N2 C10 H10 118.3 . . ?
N2 C10 C9 123.3(6) . . ?
C9 C10 H10 118.3 . . ?
N1 C1 H1 118.2 . . ?
N1 C1 C2 123.5(6) . . ?
C2 C1 H1 118.2 . . ?
N5 C26 H26 118.4 . . ?
N5 C26 C27 123.2(6) . . ?
C27 C26 H26 118.4 . . ?
C29 C28 C31 120.3(6) . . ?
C27 C28 C29 116.6(6) . . ?
C27 C28 C31 123.1(6) . . ?
C30 C29 C28 120.8(6) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C32 C33 H33 120.2 . . ?
C34 C33 C32 119.6(6) . . ?
C34 C33 H33 120.2 . . ?
N8 C48 H48 119.1 . . ?
N8 C48 C47 121.8(7) . . ?
C47 C48 H48 119.1 . . ?
N7 C42 C44 114.2(6) . . ?
N7 C42 C41 121.6(7) . . ?
C41 C42 C44 124.2(6) . . ?
C7 C8 H8 121.0 . . ?
C9 C8 C7 118.0(6) . . ?
C9 C8 H8 121.0 . . ?
C4 C3 H3A 120.3 . . ?
C2 C3 C4 119.4(6) . . ?
C2 C3 H3A 120.3 . . ?
C46 C47 H47 119.3 . . ?
C48 C47 C46 121.4(7) . . ?
C48 C47 H47 119.3 . . ?
C33 C34 C35 117.9(6) . . ?
C33 C34 C37 120.4(7) . . ?
C35 C34 C37 121.6(7) . . ?
C20 C25 H25 119.4 . . ?
C20 C25 C24 121.3(7) . . ?
C24 C25 H25 119.4 . . ?
C10 C9 H9 119.6 . . ?
C8 C9 C10 120.8(6) . . ?
C8 C9 H9 119.6 . . ?
C26 C27 C28 120.7(6) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
N6 C36 H36 118.1 . . ?
N6 C36 C35 123.7(7) . . ?
C35 C36 H36 118.1 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C25 C24 H24 119.9 . . ?
C23 C24 C25 120.1(7) . . ?
C23 C24 H24 119.9 . . ?
N7 C38 H38 119.2 . . ?
N7 C38 C39 121.6(7) . . ?
C39 C38 H38 119.2 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.8(6) . . ?
C3 C2 H2 120.1 . . ?
C34 C35 H35 120.3 . . ?
C36 C35 C34 119.5(7) . . ?
C36 C35 H35 120.3 . . ?
C17 C16 H16 118.8 . . ?
C17 C16 C15 122.5(7) . . ?
C15 C16 H16 118.8 . . ?
C14 C15 C16 119.8(7) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C14 C19 H19 119.5 . . ?
C18 C19 C14 121.0(7) . . ?
C18 C19 H19 119.5 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 120.0(7) . . ?
C22 C23 H23 120.0 . . ?
C17 C18 C19 121.0(7) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C42 C41 H41 119.1 . . ?
C42 C41 C40 121.8(7) . . ?
C40 C41 H41 119.1 . . ?
C20 C21 H21 119.2 . . ?
C20 C21 C22 121.5(7) . . ?
C22 C21 H21 119.2 . . ?
C41 C40 C39 115.5(8) . . ?
C41 C40 C43 121.8(8) . . ?
C39 C40 C43 122.6(8) . . ?
C38 C39 C40 121.3(7) . . ?
C38 C39 H39 119.4 . . ?
C40 C39 H39 119.4 . . ?
C46 C49 H49A 109.5 . . ?
C46 C49 H49B 109.5 . . ?
C46 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C23 C22 C21 119.4(7) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O1 C50 H50A 109.5 . . ?
O1 C50 H50B 109.5 . . ?
O1 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 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
Ru01 N8 C44 C45 -175.0(5) . . . . ?
Ru01 N8 C44 C42 3.3(7) . . . . ?
Ru01 N8 C48 C47 175.1(5) . . . . ?
Ru01 N1 C12 C11 0.8(7) . . . . ?
Ru01 N1 C12 C4 179.7(5) . . . . ?
Ru01 N1 C1 C2 177.3(5) . . . . ?
Ru01 N2 C11 C12 6.9(7) . . . . ?
Ru01 N2 C11 C7 -174.1(5) . . . . ?
Ru01 N2 C10 C9 170.4(5) . . . . ?
Ru01 N7 C42 C44 16.6(7) . . . . ?
Ru01 N7 C42 C41 -162.0(6) . . . . ?
Ru01 N7 C38 C39 160.2(6) . . . . ?
Ru01 N5 C30 C32 3.7(7) . . . . ?
Ru01 N5 C30 C29 -176.3(5) . . . . ?
Ru01 N5 C26 C27 177.2(5) . . . . ?
Ru01 N6 C32 C30 4.9(7) . . . . ?
Ru01 N6 C32 C33 -171.4(5) . . . . ?
Ru01 N6 C36 C35 171.4(6) . . . . ?
N8 C44 C45 C46 -1.2(10) . . . . ?
N8 C44 C42 N7 -13.2(8) . . . . ?
N8 C44 C42 C41 165.4(7) . . . . ?
N8 C48 C47 C46 0.4(10) . . . . ?
N4 C6 C5 N3 0.6(7) . . . . ?
N4 C6 C5 C4 178.5(6) . . . . ?
N4 C6 C7 C11 179.3(6) . . . . ?
N4 C6 C7 C8 -0.5(11) . . . . ?
N4 C13 C14 C15 -163.4(7) . . . . ?
N4 C13 C14 C19 16.2(11) . . . . ?
N1 C12 C11 N2 -5.1(8) . . . . ?
N1 C12 C11 C7 175.8(6) . . . . ?
N1 C12 C4 C5 -177.5(6) . . . . ?
N1 C12 C4 C3 4.2(9) . . . . ?
N1 C1 C2 C3 1.1(11) . . . . ?
N2 C11 C7 C6 -177.5(6) . . . . ?
N2 C11 C7 C8 2.3(10) . . . . ?
N2 C10 C9 C8 2.7(12) . . . . ?
N7 C42 C41 C40 -0.1(12) . . . . ?
N7 C38 C39 C40 0.2(12) . . . . ?
N5 C30 C32 N6 -5.6(8) . . . . ?
N5 C30 C32 C33 170.7(6) . . . . ?
N5 C30 C29 C28 -2.1(10) . . . . ?
N5 C26 C27 C28 0.2(11) . . . . ?
N6 C32 C33 C34 -2.1(10) . . . . ?
N6 C36 C35 C34 1.2(12) . . . . ?
N3 C13 C14 C15 12.9(11) . . . . ?
N3 C13 C14 C19 -167.5(7) . . . . ?
N3 C5 C4 C12 179.2(6) . . . . ?
N3 C5 C4 C3 -2.6(12) . . . . ?
C6 N4 C13 N3 0.8(7) . . . . ?
C6 N4 C13 C14 177.5(6) . . . . ?
C6 C5 C4 C12 1.8(10) . . . . ?
C6 C5 C4 C3 -180.0(7) . . . . ?
C6 C7 C8 C9 178.7(6) . . . . ?
C13 N4 C6 C5 -0.9(8) . . . . ?
C13 N4 C6 C7 -178.8(7) . . . . ?
C13 N3 C5 C6 -0.1(7) . . . . ?
C13 N3 C5 C4 -177.8(7) . . . . ?
C13 C14 C15 C16 175.3(7) . . . . ?
C13 C14 C19 C18 -175.2(7) . . . . ?
C12 N1 C1 C2 -0.8(10) . . . . ?
C12 C11 C7 C6 1.5(9) . . . . ?
C12 C11 C7 C8 -178.7(6) . . . . ?
C12 C4 C3 C2 -3.7(10) . . . . ?
C5 N3 C13 N4 -0.5(7) . . . . ?
C5 N3 C13 C14 -177.2(6) . . . . ?
C5 C6 C7 C11 1.6(9) . . . . ?
C5 C6 C7 C8 -178.2(6) . . . . ?
C5 C4 C3 C2 178.1(7) . . . . ?
C30 N5 C26 C27 -3.0(10) . . . . ?
C30 C32 C33 C34 -178.2(6) . . . . ?
C11 N2 C10 C9 -1.4(10) . . . . ?
C11 C12 C4 C5 1.3(9) . . . . ?
C11 C12 C4 C3 -177.0(6) . . . . ?
C11 C7 C8 C9 -1.0(10) . . . . ?
C44 N8 C48 C47 -1.1(9) . . . . ?
C44 C45 C46 C47 0.4(10) . . . . ?
C44 C45 C46 C49 -179.4(6) . . . . ?
C44 C42 C41 C40 -178.6(7) . . . . ?
C32 N6 C36 C35 -4.5(11) . . . . ?
C32 C30 C29 C28 177.9(6) . . . . ?
C32 C33 C34 C35 -1.3(11) . . . . ?
C32 C33 C34 C37 177.6(7) . . . . ?
C45 C44 C42 N7 165.1(6) . . . . ?
C45 C44 C42 C41 -16.3(11) . . . . ?
C45 C46 C47 C48 0.0(10) . . . . ?
C17 C20 C25 C24 -176.8(7) . . . . ?
C17 C20 C21 C22 175.2(7) . . . . ?
C17 C16 C15 C14 0.7(12) . . . . ?
C4 C12 C11 N2 176.0(6) . . . . ?
C4 C12 C11 C7 -3.1(9) . . . . ?
C4 C3 C2 C1 1.3(11) . . . . ?
C7 C6 C5 N3 178.7(6) . . . . ?
C7 C6 C5 C4 -3.4(10) . . . . ?
C7 C8 C9 C10 -1.3(11) . . . . ?
C20 C17 C16 C15 -177.7(7) . . . . ?
C20 C17 C18 C19 177.8(7) . . . . ?
C20 C25 C24 C23 1.1(12) . . . . ?
C20 C21 C22 C23 2.1(13) . . . . ?
C14 C19 C18 C17 -1.1(12) . . . . ?
C10 N2 C11 C12 179.9(6) . . . . ?
C10 N2 C11 C7 -1.1(9) . . . . ?
C1 N1 C12 C11 179.2(6) . . . . ?
C1 N1 C12 C4 -2.0(9) . . . . ?
C26 N5 C30 C32 -176.0(6) . . . . ?
C26 N5 C30 C29 3.9(9) . . . . ?
C29 C30 C32 N6 174.4(6) . . . . ?
C29 C30 C32 C33 -9.2(10) . . . . ?
C29 C28 C27 C26 1.8(10) . . . . ?
C33 C34 C35 C36 1.8(12) . . . . ?
C48 N8 C44 C45 1.5(9) . . . . ?
C48 N8 C44 C42 179.8(6) . . . . ?
C42 N7 C38 C39 -4.0(10) . . . . ?
C42 C44 C45 C46 -179.3(6) . . . . ?
C42 C41 C40 C39 -3.6(13) . . . . ?
C42 C41 C40 C43 174.6(9) . . . . ?
C25 C20 C21 C22 -0.1(12) . . . . ?
C25 C24 C23 C22 0.9(13) . . . . ?
C27 C28 C29 C30 -0.8(10) . . . . ?
C36 N6 C32 C30 -178.8(6) . . . . ?
C36 N6 C32 C33 4.9(10) . . . . ?
C31 C28 C29 C30 177.3(6) . . . . ?
C31 C28 C27 C26 -176.3(7) . . . . ?
C24 C23 C22 C21 -2.5(13) . . . . ?
C38 N7 C42 C44 -177.4(6) . . . . ?
C38 N7 C42 C41 3.9(10) . . . . ?
C16 C17 C20 C25 -155.5(7) . . . . ?
C16 C17 C20 C21 29.4(11) . . . . ?
C16 C17 C18 C19 -2.5(11) . . . . ?
C15 C14 C19 C18 4.4(12) . . . . ?
C19 C14 C15 C16 -4.3(11) . . . . ?
C18 C17 C20 C25 24.2(10) . . . . ?
C18 C17 C20 C21 -151.0(8) . . . . ?
C18 C17 C16 C15 2.7(12) . . . . ?
C41 C40 C39 C38 3.6(13) . . . . ?
C21 C20 C25 C24 -1.5(12) . . . . ?
C49 C46 C47 C48 179.8(7) . . . . ?
C37 C34 C35 C36 -177.1(8) . . . . ?
C43 C40 C39 C38 -174.6(9) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
