# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1998465'
loop_
_audit_author_name
_audit_author_address
'Roberto Quesada'
;Universidad de Burgos
Spain
;
_audit_update_record             
;
2020-04-22 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_audit_creation_date             2019-06-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C39 H31 N7 Ru, 2(F6 P)'
_chemical_formula_sum            'C39 H31 F12 N7 P2 Ru'
_chemical_formula_weight         988.72
_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'
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                   20.7784(11)
_cell_length_b                   11.5929(6)
_cell_length_c                   16.7092(8)
_cell_angle_alpha                90
_cell_angle_beta                 97.550(2)
_cell_angle_gamma                90
_cell_volume                     3990.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5224
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      23.47
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.945
_shelx_estimated_absorpt_T_min   0.848
_exptl_absorpt_coefficient_mu    0.570
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5262
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       orange
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1518
_diffrn_reflns_av_unetI/netI     0.0875
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            64983
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.722
_diffrn_reflns_theta_min         2.293
_diffrn_ambient_temperature      299.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4773
_reflns_number_total             9267
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.230
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       0.0030(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         9267
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1576
_refine_ls_R_factor_gt           0.0631
_refine_ls_restrained_S_all      1.090
_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)+(0.0731P)²+9.7089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1459
_refine_ls_wR_factor_ref         0.2238
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H13A(0.069) H13B(0.069) H39(0.078) H29(0.084) H4(0.073) H8(0.088)
 H20(0.083) H15(0.085) H11(0.081) H36(0.092) H1(0.086) H19(0.088) H30(0.085)
 H37(0.101) H3(0.083) H16(0.104) H2(0.088) H38(0.098) H18(0.104) H9(0.104)
 H23(0.094) H22(0.112) H17(0.102) H33(0.1) H28(0.101) H10(0.103) H21(0.099)
 H31(0.11) H27(0.114) H26(0.102) H32(0.125)
 Fixed X: H13A(0.438) H13B(0.4853) H39(0.1359) H29(0.2321) H4(0.3924)
 H8(0.4954) H20(0.1457) H15(0.5129) H11(0.29) H36(0.1975) H1(0.1885)
 H19(0.5057) H30(0.3028) H37(0.1407) H3(0.3401) H16(0.581) H2(0.2359)
 H38(0.1089) H18(0.5739) H9(0.4702) H23(0.001) H22(-0.0198) H17(0.6063)
 H33(0.2488) H28(0.1694) H10(0.3699) H21(0.0524) H31(0.3344) H27(0.0659)
 H26(0.0276) H32(0.307)
 Fixed Y: H13A(0.4557) H13B(0.5408) H39(0.7959) H29(0.5675) H4(0.4329)
 H8(0.7172) H20(0.8273) H15(0.704) H11(0.8934) H36(1.1391) H1(0.5375)
 H19(0.3627) H30(0.7591) H37(1.1365) H3(0.3297) H16(0.7032) H2(0.3828)
 H38(0.9617) H18(0.3609) H9(0.8756) H23(0.5619) H22(0.6584) H17(0.5319)
 H33(1.1267) H28(0.444) H10(0.961) H21(0.7946) H31(0.912) H27(0.404)
 H26(0.4824) H32(1.0956)
 Fixed Z: H13A(0.8863) H13B(0.9373) H39(0.9217) H29(0.9436) H4(0.7595)
 H8(1.0014) H20(0.6326) H15(0.8139) H11(0.9551) H36(0.8241) H1(0.6517)
 H19(0.807) H30(0.649) H37(0.9347) H3(0.6508) H16(0.7157) H2(0.5985)
 H38(0.9826) H18(0.7082) H9(1.076) H23(0.7023) H22(0.5806) H17(0.6569)
 H33(0.7163) H28(1.0066) H10(1.0528) H21(0.5468) H31(0.5765) H27(0.9487)
 H26(0.8233) H32(0.6096)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.21866(2) 0.71939(5) 0.78829(3) 0.0495(2) Uani 1 1 d . . . . .
P1 P 0.66894(10) 0.77762(16) 0.55138(12) 0.0626(5) Uani 1 1 d . . . . .
P2 P -0.07561(13) 0.7367(2) 0.36372(14) 0.0827(7) Uani 1 1 d . . . . .
N2 N 0.3089(2) 0.7041(4) 0.8581(3) 0.0441(11) Uani 1 1 d . . . . .
F1 F 0.6666(3) 0.9143(4) 0.5461(3) 0.0989(16) Uani 1 1 d . . . . .
N3 N 0.4064(2) 0.6197(4) 0.8797(3) 0.0510(12) Uani 1 1 d . . . . .
F5 F 0.6039(2) 0.7799(4) 0.5925(3) 0.0887(14) Uani 1 1 d . . . . .
N4 N 0.1317(2) 0.7120(4) 0.7145(3) 0.0518(12) Uani 1 1 d . . . . .
N6 N 0.1862(2) 0.8631(4) 0.8420(3) 0.0503(12) Uani 1 1 d . . . . .
N5 N 0.1686(2) 0.6013(4) 0.8492(3) 0.0527(12) Uani 1 1 d . . . . .
N1 N 0.2601(2) 0.5794(4) 0.7343(3) 0.0511(12) Uani 1 1 d . . . . .
F2 F 0.7321(2) 0.7764(4) 0.5081(3) 0.0988(16) Uani 1 1 d . . . . .
N7 N 0.2564(2) 0.8493(5) 0.7249(3) 0.0545(13) Uani 1 1 d . . . . .
C6 C 0.3467(3) 0.6203(5) 0.8349(3) 0.0439(13) Uani 1 1 d . . . . .
C7 C 0.4068(3) 0.7104(5) 0.9342(4) 0.0497(14) Uani 1 1 d . . . . .
F3 F 0.6261(3) 0.7715(5) 0.4666(3) 0.1131(18) Uani 1 1 d . . . . .
F4 F 0.6721(3) 0.6435(4) 0.5578(4) 0.1173(19) Uani 1 1 d . . . . .
C12 C 0.3453(3) 0.7619(5) 0.9196(3) 0.0490(14) Uani 1 1 d . . . . .
F6 F 0.7104(3) 0.7879(6) 0.6368(3) 0.126(2) Uani 1 1 d . . . . .
C5 C 0.3207(3) 0.5469(5) 0.7671(4) 0.0496(14) Uani 1 1 d . . . . .
C35 C 0.2031(3) 0.9665(6) 0.8125(4) 0.0586(17) Uani 1 1 d . . . . .
C14 C 0.5010(3) 0.5337(5) 0.8196(4) 0.0549(15) Uani 1 1 d . . . . .
C25 C 0.1078(3) 0.5758(6) 0.8128(4) 0.0578(16) Uani 1 1 d . . . . .
C13 C 0.4581(3) 0.5312(6) 0.8860(4) 0.0575(16) Uani 1 1 d . . . . .
H13A H 0.4380 0.4557 0.8863 0.069 Uiso 1 1 calc R . . . .
H13B H 0.4853 0.5408 0.9373 0.069 Uiso 1 1 calc R . . . .
C39 C 0.1501(3) 0.8658(6) 0.9029(4) 0.0651(18) Uani 1 1 d . . . . .
H39 H 0.1359 0.7959 0.9217 0.078 Uiso 1 1 calc R . . . .
C29 C 0.1902(4) 0.5513(6) 0.9195(4) 0.070(2) Uani 1 1 d . . . . .
H29 H 0.2321 0.5675 0.9436 0.084 Uiso 1 1 calc R . . . .
C24 C 0.0883(3) 0.6350(6) 0.7360(4) 0.0571(16) Uani 1 1 d . . . . .
C4 C 0.3508(3) 0.4540(6) 0.7366(4) 0.0611(17) Uani 1 1 d . . . . .
H4 H 0.3924 0.4329 0.7595 0.073 Uiso 1 1 calc R . . . .
C8 C 0.4546(4) 0.7516(7) 0.9923(5) 0.073(2) Uani 1 1 d . . . . .
H8 H 0.4954 0.7172 1.0014 0.088 Uiso 1 1 calc R . . . .
C20 C 0.1168(3) 0.7714(7) 0.6459(4) 0.0688(19) Uani 1 1 d . . . . .
H20 H 0.1457 0.8273 0.6326 0.083 Uiso 1 1 calc R . . . .
C15 C 0.5244(4) 0.6342(6) 0.7922(5) 0.071(2) Uani 1 1 d . . . . .
H15 H 0.5129 0.7040 0.8139 0.085 Uiso 1 1 calc R . . . .
C11 C 0.3305(4) 0.8579(6) 0.9642(4) 0.0674(19) Uani 1 1 d . . . . .
H11 H 0.2900 0.8934 0.9551 0.081 Uiso 1 1 calc R . . . .
C34 C 0.2408(3) 0.9582(6) 0.7442(4) 0.0614(17) Uani 1 1 d . . . . .
C36 C 0.1859(4) 1.0693(7) 0.8456(5) 0.077(2) Uani 1 1 d . . . . .
H36 H 0.1975 1.1391 0.8241 0.092 Uiso 1 1 calc R . . . .
C1 C 0.2304(4) 0.5169(7) 0.6734(5) 0.071(2) Uani 1 1 d . . . . .
H1 H 0.1885 0.5375 0.6517 0.086 Uiso 1 1 calc R . . . .
C19 C 0.5202(3) 0.4321(6) 0.7880(5) 0.073(2) Uani 1 1 d . . . . .
H19 H 0.5057 0.3627 0.8070 0.088 Uiso 1 1 calc R . . . .
C30 C 0.2915(3) 0.8336(7) 0.6625(4) 0.071(2) Uani 1 1 d . . . . .
H30 H 0.3028 0.7591 0.6490 0.085 Uiso 1 1 calc R . . . .
C37 C 0.1513(4) 1.0679(7) 0.9107(6) 0.084(2) Uani 1 1 d . . . . .
H37 H 0.1407 1.1365 0.9347 0.101 Uiso 1 1 calc R . . . .
C3 C 0.3198(4) 0.3918(6) 0.6723(4) 0.0695(19) Uani 1 1 d . . . . .
H3 H 0.3401 0.3297 0.6508 0.083 Uiso 1 1 calc R . . . .
C16 C 0.5648(4) 0.6340(8) 0.7329(5) 0.086(2) Uani 1 1 d . . . . .
H16 H 0.5810 0.7032 0.7157 0.104 Uiso 1 1 calc R . . . .
C2 C 0.2585(4) 0.4237(7) 0.6412(4) 0.073(2) Uani 1 1 d . . . . .
H2 H 0.2359 0.3828 0.5985 0.088 Uiso 1 1 calc R . . . .
C38 C 0.1328(4) 0.9648(8) 0.9393(5) 0.081(2) Uani 1 1 d . . . . .
H38 H 0.1089 0.9617 0.9826 0.098 Uiso 1 1 calc R . . . .
C18 C 0.5608(4) 0.4307(8) 0.7282(5) 0.086(3) Uani 1 1 d . . . . .
H18 H 0.5739 0.3609 0.7082 0.104 Uiso 1 1 calc R . . . .
C9 C 0.4393(4) 0.8458(8) 1.0361(5) 0.087(2) Uani 1 1 d . . . . .
H9 H 0.4702 0.8756 1.0760 0.104 Uiso 1 1 calc R . . . .
C23 C 0.0308(4) 0.6146(7) 0.6870(5) 0.078(2) Uani 1 1 d . . . . .
H23 H 0.0010 0.5619 0.7023 0.094 Uiso 1 1 calc R . . . .
C22 C 0.0181(4) 0.6734(9) 0.6152(6) 0.093(3) Uani 1 1 d . . . . .
H22 H -0.0198 0.6584 0.5806 0.112 Uiso 1 1 calc R . . . .
C17 C 0.5813(4) 0.5318(9) 0.6992(5) 0.085(2) Uani 1 1 d . . . . .
H17 H 0.6063 0.5319 0.6569 0.102 Uiso 1 1 calc R . . . .
C33 C 0.2595(4) 1.0522(7) 0.7022(5) 0.083(2) Uani 1 1 d . . . . .
H33 H 0.2488 1.1267 0.7163 0.100 Uiso 1 1 calc R . . . .
C28 C 0.1530(4) 0.4772(7) 0.9574(5) 0.084(2) Uani 1 1 d . . . . .
H28 H 0.1694 0.4440 1.0066 0.101 Uiso 1 1 calc R . . . .
C10 C 0.3784(4) 0.8974(7) 1.0219(5) 0.086(2) Uani 1 1 d . . . . .
H10 H 0.3699 0.9610 1.0528 0.103 Uiso 1 1 calc R . . . .
C21 C 0.0610(4) 0.7532(8) 0.5947(5) 0.083(2) Uani 1 1 d . . . . .
H21 H 0.0524 0.7946 0.5468 0.099 Uiso 1 1 calc R . . . .
C31 C 0.3106(4) 0.9245(10) 0.6191(5) 0.091(3) Uani 1 1 d . . . . .
H31 H 0.3344 0.9120 0.5765 0.110 Uiso 1 1 calc R . . . .
C27 C 0.0922(4) 0.4528(8) 0.9228(6) 0.095(3) Uani 1 1 d . . . . .
H27 H 0.0659 0.4040 0.9487 0.114 Uiso 1 1 calc R . . . .
C26 C 0.0689(4) 0.5008(7) 0.8486(6) 0.085(2) Uani 1 1 d . . . . .
H26 H 0.0276 0.4824 0.8233 0.102 Uiso 1 1 calc R . . . .
C32 C 0.2944(5) 1.0333(10) 0.6390(6) 0.104(3) Uani 1 1 d . . . . .
H32 H 0.3070 1.0956 0.6096 0.125 Uiso 1 1 calc R . . . .
F8 F -0.0774(4) 0.8518(7) 0.3192(6) 0.203(4) Uani 1 1 d . . . . .
F9 F -0.0194(4) 0.7002(8) 0.3205(6) 0.202(4) Uani 1 1 d . . . . .
F12 F -0.1313(5) 0.7713(8) 0.4085(7) 0.241(6) Uani 1 1 d . . . . .
F10 F -0.1244(5) 0.6858(10) 0.2978(5) 0.232(5) Uani 1 1 d . . . . .
F7 F -0.0268(5) 0.7903(9) 0.4281(5) 0.225(5) Uani 1 1 d . . . . .
F11 F -0.0768(6) 0.6186(7) 0.4038(7) 0.232(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 2.080(5) . ?
Ru1 N4 2.051(5) . ?
Ru1 N6 2.048(5) . ?
Ru1 N5 2.065(5) . ?
Ru1 N1 2.095(5) . ?
Ru1 N7 2.055(5) . ?
P1 F1 1.588(5) . ?
P1 F5 1.595(5) . ?
P1 F2 1.579(5) . ?
P1 F3 1.572(6) . ?
P1 F4 1.559(5) . ?
P1 F6 1.571(6) . ?
P2 F8 1.526(7) . ?
P2 F9 1.513(8) . ?
P2 F12 1.512(8) . ?
P2 F10 1.515(8) . ?
P2 F7 1.512(8) . ?
P2 F11 1.525(8) . ?
N2 C6 1.339(7) . ?
N2 C12 1.369(7) . ?
N3 C6 1.361(7) . ?
N3 C7 1.391(8) . ?
N3 C13 1.480(7) . ?
N4 C24 1.351(8) . ?
N4 C20 1.338(8) . ?
N6 C35 1.359(8) . ?
N6 C39 1.343(8) . ?
N5 C25 1.362(8) . ?
N5 C29 1.334(8) . ?
N1 C5 1.359(8) . ?
N1 C1 1.332(8) . ?
N7 C34 1.353(9) . ?
N7 C30 1.361(8) . ?
C6 C5 1.462(8) . ?
C7 C12 1.403(8) . ?
C7 C8 1.379(9) . ?
C12 C11 1.397(9) . ?
C5 C4 1.378(9) . ?
C35 C34 1.469(10) . ?
C35 C36 1.381(10) . ?
C14 C13 1.512(9) . ?
C14 C15 1.364(9) . ?
C14 C19 1.371(9) . ?
C25 C24 1.465(9) . ?
C25 C26 1.376(10) . ?
C39 C38 1.368(10) . ?
C29 C28 1.366(10) . ?
C24 C23 1.377(9) . ?
C4 C3 1.382(9) . ?
C8 C9 1.376(11) . ?
C20 C21 1.364(10) . ?
C15 C16 1.381(10) . ?
C11 C10 1.371(10) . ?
C34 C33 1.379(10) . ?
C36 C37 1.380(11) . ?
C1 C2 1.370(10) . ?
C19 C18 1.390(10) . ?
C30 C31 1.368(11) . ?
C37 C38 1.362(11) . ?
C3 C2 1.362(10) . ?
C16 C17 1.374(11) . ?
C18 C17 1.358(12) . ?
C9 C10 1.391(11) . ?
C23 C22 1.375(11) . ?
C22 C21 1.360(12) . ?
C33 C32 1.375(12) . ?
C28 C27 1.348(11) . ?
C31 C32 1.358(13) . ?
C27 C26 1.388(12) . ?

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
N2 Ru1 N1 77.57(19) . . ?
N4 Ru1 N2 172.2(2) . . ?
N4 Ru1 N5 78.9(2) . . ?
N4 Ru1 N1 95.1(2) . . ?
N4 Ru1 N7 94.9(2) . . ?
N6 Ru1 N2 98.55(19) . . ?
N6 Ru1 N4 89.0(2) . . ?
N6 Ru1 N5 96.2(2) . . ?
N6 Ru1 N1 174.89(19) . . ?
N6 Ru1 N7 78.4(2) . . ?
N5 Ru1 N2 98.17(19) . . ?
N5 Ru1 N1 87.7(2) . . ?
N7 Ru1 N2 88.58(18) . . ?
N7 Ru1 N5 172.0(2) . . ?
N7 Ru1 N1 98.0(2) . . ?
F1 P1 F5 89.2(2) . . ?
F2 P1 F1 90.3(3) . . ?
F2 P1 F5 178.2(3) . . ?
F3 P1 F1 89.2(3) . . ?
F3 P1 F5 88.6(3) . . ?
F3 P1 F2 89.6(3) . . ?
F4 P1 F1 179.0(4) . . ?
F4 P1 F5 91.0(3) . . ?
F4 P1 F2 89.6(3) . . ?
F4 P1 F3 91.8(3) . . ?
F4 P1 F6 90.0(3) . . ?
F6 P1 F1 89.1(3) . . ?
F6 P1 F5 90.1(3) . . ?
F6 P1 F2 91.6(3) . . ?
F6 P1 F3 177.9(3) . . ?
F9 P2 F8 89.0(5) . . ?
F9 P2 F10 91.7(6) . . ?
F9 P2 F11 91.0(5) . . ?
F12 P2 F8 92.1(6) . . ?
F12 P2 F9 178.7(7) . . ?
F12 P2 F10 88.9(6) . . ?
F12 P2 F7 91.4(6) . . ?
F12 P2 F11 87.9(5) . . ?
F10 P2 F8 90.8(6) . . ?
F10 P2 F11 85.5(6) . . ?
F7 P2 F8 87.6(5) . . ?
F7 P2 F9 88.0(6) . . ?
F7 P2 F10 178.5(6) . . ?
F7 P2 F11 96.0(6) . . ?
F11 P2 F8 176.4(6) . . ?
C6 N2 Ru1 114.9(4) . . ?
C6 N2 C12 106.5(5) . . ?
C12 N2 Ru1 138.4(4) . . ?
C6 N3 C7 106.5(5) . . ?
C6 N3 C13 130.0(5) . . ?
C7 N3 C13 122.4(5) . . ?
C24 N4 Ru1 115.7(4) . . ?
C20 N4 Ru1 125.4(5) . . ?
C20 N4 C24 118.8(6) . . ?
C35 N6 Ru1 116.3(4) . . ?
C39 N6 Ru1 126.9(5) . . ?
C39 N6 C35 116.8(6) . . ?
C25 N5 Ru1 115.0(4) . . ?
C29 N5 Ru1 126.1(5) . . ?
C29 N5 C25 118.9(6) . . ?
C5 N1 Ru1 116.9(4) . . ?
C1 N1 Ru1 125.1(5) . . ?
C1 N1 C5 117.9(6) . . ?
C34 N7 Ru1 116.2(5) . . ?
C34 N7 C30 118.5(6) . . ?
C30 N7 Ru1 125.1(5) . . ?
N2 C6 N3 111.9(5) . . ?
N2 C6 C5 118.3(5) . . ?
N3 C6 C5 129.8(5) . . ?
N3 C7 C12 106.3(5) . . ?
C8 C7 N3 131.6(6) . . ?
C8 C7 C12 122.1(6) . . ?
N2 C12 C7 108.9(5) . . ?
N2 C12 C11 130.7(6) . . ?
C11 C12 C7 120.4(6) . . ?
N1 C5 C6 112.4(5) . . ?
N1 C5 C4 120.7(6) . . ?
C4 C5 C6 127.0(6) . . ?
N6 C35 C34 114.4(6) . . ?
N6 C35 C36 121.6(7) . . ?
C36 C35 C34 124.0(7) . . ?
C15 C14 C13 122.2(6) . . ?
C15 C14 C19 118.1(6) . . ?
C19 C14 C13 119.7(6) . . ?
N5 C25 C24 115.0(5) . . ?
N5 C25 C26 120.5(7) . . ?
C26 C25 C24 124.5(7) . . ?
N3 C13 C14 115.3(5) . . ?
N6 C39 C38 124.2(7) . . ?
N5 C29 C28 122.5(7) . . ?
N4 C24 C25 115.2(5) . . ?
N4 C24 C23 120.9(7) . . ?
C23 C24 C25 124.0(7) . . ?
C5 C4 C3 120.5(7) . . ?
C9 C8 C7 116.9(7) . . ?
N4 C20 C21 122.6(7) . . ?
C14 C15 C16 121.0(7) . . ?
C10 C11 C12 116.8(7) . . ?
N7 C34 C35 114.5(6) . . ?
N7 C34 C33 121.5(7) . . ?
C33 C34 C35 124.0(7) . . ?
C37 C36 C35 119.6(7) . . ?
N1 C1 C2 123.5(7) . . ?
C14 C19 C18 121.4(7) . . ?
N7 C30 C31 121.7(8) . . ?
C38 C37 C36 119.2(8) . . ?
C2 C3 C4 118.2(7) . . ?
C17 C16 C15 120.3(8) . . ?
C3 C2 C1 119.3(7) . . ?
C37 C38 C39 118.5(8) . . ?
C17 C18 C19 119.7(8) . . ?
C8 C9 C10 121.3(7) . . ?
C22 C23 C24 119.0(7) . . ?
C21 C22 C23 120.0(8) . . ?
C18 C17 C16 119.4(8) . . ?
C32 C33 C34 118.6(9) . . ?
C27 C28 C29 119.2(8) . . ?
C11 C10 C9 122.5(7) . . ?
C22 C21 C20 118.6(8) . . ?
C32 C31 C30 119.1(9) . . ?
C28 C27 C26 119.8(8) . . ?
C25 C26 C27 119.1(8) . . ?
C31 C32 C33 120.6(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N2 C6 N3 176.1(4) . . . . ?
Ru1 N2 C6 C5 -2.5(6) . . . . ?
Ru1 N2 C12 C7 -173.9(4) . . . . ?
Ru1 N2 C12 C11 4.8(11) . . . . ?
Ru1 N4 C24 C25 5.3(7) . . . . ?
Ru1 N4 C24 C23 -173.8(5) . . . . ?
Ru1 N4 C20 C21 172.4(6) . . . . ?
Ru1 N6 C35 C34 1.9(7) . . . . ?
Ru1 N6 C35 C36 -177.8(5) . . . . ?
Ru1 N6 C39 C38 176.3(6) . . . . ?
Ru1 N5 C25 C24 0.9(7) . . . . ?
Ru1 N5 C25 C26 -178.2(6) . . . . ?
Ru1 N5 C29 C28 177.4(6) . . . . ?
Ru1 N1 C5 C6 -1.4(6) . . . . ?
Ru1 N1 C5 C4 178.4(5) . . . . ?
Ru1 N1 C1 C2 -178.1(6) . . . . ?
Ru1 N7 C34 C35 4.5(7) . . . . ?
Ru1 N7 C34 C33 -175.6(5) . . . . ?
Ru1 N7 C30 C31 174.8(6) . . . . ?
N2 C6 C5 N1 2.6(7) . . . . ?
N2 C6 C5 C4 -177.2(6) . . . . ?
N2 C12 C11 C10 -178.9(7) . . . . ?
N3 C6 C5 N1 -175.7(5) . . . . ?
N3 C6 C5 C4 4.5(10) . . . . ?
N3 C7 C12 N2 0.0(7) . . . . ?
N3 C7 C12 C11 -178.9(6) . . . . ?
N3 C7 C8 C9 179.0(7) . . . . ?
N4 C24 C23 C22 0.5(12) . . . . ?
N4 C20 C21 C22 1.5(13) . . . . ?
N6 C35 C34 N7 -4.2(8) . . . . ?
N6 C35 C34 C33 176.0(6) . . . . ?
N6 C35 C36 C37 0.7(11) . . . . ?
N6 C39 C38 C37 2.2(12) . . . . ?
N5 C25 C24 N4 -4.1(9) . . . . ?
N5 C25 C24 C23 175.0(7) . . . . ?
N5 C25 C26 C27 1.0(12) . . . . ?
N5 C29 C28 C27 0.2(13) . . . . ?
N1 C5 C4 C3 -0.3(10) . . . . ?
N1 C1 C2 C3 0.2(12) . . . . ?
N7 C34 C33 C32 0.5(12) . . . . ?
N7 C30 C31 C32 0.3(13) . . . . ?
C6 N2 C12 C7 -0.5(6) . . . . ?
C6 N2 C12 C11 178.2(7) . . . . ?
C6 N3 C7 C12 0.6(6) . . . . ?
C6 N3 C7 C8 -178.2(7) . . . . ?
C6 N3 C13 C14 82.0(8) . . . . ?
C6 C5 C4 C3 179.4(6) . . . . ?
C7 N3 C6 N2 -0.9(6) . . . . ?
C7 N3 C6 C5 177.4(6) . . . . ?
C7 N3 C13 C14 -111.9(7) . . . . ?
C7 C12 C11 C10 -0.3(10) . . . . ?
C7 C8 C9 C10 -0.4(13) . . . . ?
C12 N2 C6 N3 0.9(6) . . . . ?
C12 N2 C6 C5 -177.7(5) . . . . ?
C12 C7 C8 C9 0.4(11) . . . . ?
C12 C11 C10 C9 0.3(13) . . . . ?
C5 N1 C1 C2 -1.7(11) . . . . ?
C5 C4 C3 C2 -1.1(11) . . . . ?
C35 N6 C39 C38 -3.7(10) . . . . ?
C35 C34 C33 C32 -179.6(7) . . . . ?
C35 C36 C37 C38 -2.3(12) . . . . ?
C14 C15 C16 C17 1.2(13) . . . . ?
C14 C19 C18 C17 -1.1(13) . . . . ?
C25 N5 C29 C28 -1.5(11) . . . . ?
C25 C24 C23 C22 -178.6(7) . . . . ?
C13 N3 C6 N2 166.9(5) . . . . ?
C13 N3 C6 C5 -14.7(10) . . . . ?
C13 N3 C7 C12 -168.5(5) . . . . ?
C13 N3 C7 C8 12.8(10) . . . . ?
C13 C14 C15 C16 178.3(7) . . . . ?
C13 C14 C19 C18 -178.4(7) . . . . ?
C39 N6 C35 C34 -178.2(6) . . . . ?
C39 N6 C35 C36 2.2(9) . . . . ?
C29 N5 C25 C24 179.9(6) . . . . ?
C29 N5 C25 C26 0.8(10) . . . . ?
C29 C28 C27 C26 1.6(14) . . . . ?
C24 N4 C20 C21 -3.3(11) . . . . ?
C24 C25 C26 C27 -178.0(8) . . . . ?
C24 C23 C22 C21 -2.3(14) . . . . ?
C4 C3 C2 C1 1.2(12) . . . . ?
C8 C7 C12 N2 178.8(6) . . . . ?
C8 C7 C12 C11 0.0(10) . . . . ?
C8 C9 C10 C11 0.1(15) . . . . ?
C20 N4 C24 C25 -178.6(6) . . . . ?
C20 N4 C24 C23 2.2(10) . . . . ?
C15 C14 C13 N3 43.4(9) . . . . ?
C15 C14 C19 C18 -1.8(12) . . . . ?
C15 C16 C17 C18 -4.1(13) . . . . ?
C34 N7 C30 C31 -0.6(10) . . . . ?
C34 C35 C36 C37 -178.9(7) . . . . ?
C34 C33 C32 C31 -0.8(14) . . . . ?
C36 C35 C34 N7 175.5(6) . . . . ?
C36 C35 C34 C33 -4.4(11) . . . . ?
C36 C37 C38 C39 0.9(13) . . . . ?
C1 N1 C5 C6 -178.1(6) . . . . ?
C1 N1 C5 C4 1.7(9) . . . . ?
C19 C14 C13 N3 -140.0(7) . . . . ?
C19 C14 C15 C16 1.7(11) . . . . ?
C19 C18 C17 C16 4.0(13) . . . . ?
C30 N7 C34 C35 -179.8(6) . . . . ?
C30 N7 C34 C33 0.1(10) . . . . ?
C30 C31 C32 C33 0.4(15) . . . . ?
C23 C22 C21 C20 1.4(14) . . . . ?
C28 C27 C26 C25 -2.2(14) . . . . ?
C26 C25 C24 N4 175.0(7) . . . . ?
C26 C25 C24 C23 -5.9(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
