#------------------------------------------------------------------------------
#$Date: 2020-06-04 21:17:47 +0300 (Thu, 04 Jun 2020) $
#$Revision: 252647 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/45/7704593.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7704593
loop_
_publ_author_name
'Wen, Ya'
'Ouyang, Cheng'
'Li, Quanwen'
'Rees, Thomas W.'
'Qiu, Kangqiang'
'Ji, Liangnian'
'Chao, Hui'
_publ_section_title
;
 Synthesis, characterization and anticancer mechanism studies of
 fluorinated cyclometalated ruthenium(ii) complexes.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7044
_journal_page_last               7052
_journal_paper_doi               10.1039/d0dt01412e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C37 H23 F3 N5 Ru, F6 P, C7 H8'
_chemical_formula_sum            'C44 H31 F9 N5 P Ru'
_chemical_formula_weight         932.78
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_block_doi                 10.5517/ccdc.csd.cc21jjrw
_audit_creation_date             2019-12-04
_audit_creation_method
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5292)
;
_audit_update_record
;
2020-05-18 deposited with the CCDC.	2020-05-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.056(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.4892(5)
_cell_length_b                   9.0100(3)
_cell_length_c                   17.9682(8)
_cell_measurement_reflns_used    5445
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0210
_cell_measurement_theta_min      3.9600
_cell_volume                     1952.51(14)
_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    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11381
_diffrn_reflns_point_group_measured_fraction_full 0.837
_diffrn_reflns_point_group_measured_fraction_max 0.828
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         3.378
_exptl_absorpt_coefficient_mu    0.526
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_refine_diff_density_max         1.206
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.085
_refine_ls_abs_structure_details
;
 Flack x determined using 1946 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.284(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         6343
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0468
_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)+(0.0690P)²+1.1385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1220
_reflns_Friedel_coverage         0.657
_reflns_Friedel_fraction_full    0.676
_reflns_Friedel_fraction_max     0.658
_reflns_number_gt                5395
_reflns_number_total             6343
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01412e2.cif
_cod_data_source_block           1611142
_cod_database_code               7704593
_shelx_shelxl_version_number     2014/7
_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.
;
_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. Uiso/Uaniso restraints and constraints
Uanis(F4) \\sim Ueq, Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F9) \\sim
Ueq, Uanis(F8) \\sim Ueq, Uanis(F7) \\sim Ueq: with sigma of 0.005 and sigma
for terminal atoms of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C27(H27), C29(H29), C33(H33), C35(H35), C37(H37),
 C38(H38), C39(H39), C41(H41), C42(H42)
3.b Idealised Me refined as rotating group:
 C43(H43A,H43B,H43C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
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 0.01886(8) 0.24841(6) 0.43422(6) 0.02782(16) Uani 1 1 d . . . . .
F1 F -0.7609(5) 0.2960(8) 0.0623(4) 0.0750(18) Uani 1 1 d . . . . .
F2 F -0.5479(4) 0.2135(6) 0.3128(3) 0.0518(13) Uani 1 1 d . . . . .
F3 F -0.3786(4) 0.3733(7) 0.1233(3) 0.0675(16) Uani 1 1 d . . . . .
N1 N 0.1791(8) 0.2094(11) 0.4872(5) 0.040(2) Uani 1 1 d . . . . .
N2 N 0.0376(6) 0.3406(7) 0.5489(4) 0.0373(15) Uani 1 1 d . . . . .
N3 N 0.0233(5) 0.4589(6) 0.3909(3) 0.0295(13) Uani 1 1 d . . . . .
N4 N -0.1358(8) 0.2711(7) 0.3766(5) 0.0289(19) Uani 1 1 d . . . . .
N5 N -0.0436(5) 0.0466(6) 0.4555(3) 0.0284(13) Uani 1 1 d . . . . .
C1 C 0.0666(7) 0.1555(8) 0.3453(5) 0.0349(17) Uani 1 1 d . . . . .
C2 C 0.0078(7) 0.1337(8) 0.2701(5) 0.0379(18) Uani 1 1 d . . . . .
H2 H -0.0641 0.1703 0.2535 0.046 Uiso 1 1 calc R . . . .
C3 C 0.0543(9) 0.0571(10) 0.2177(5) 0.051(2) Uani 1 1 d . . . . .
H3 H 0.0129 0.0427 0.1672 0.061 Uiso 1 1 calc R . . . .
C4 C 0.1600(9) 0.0039(10) 0.2410(6) 0.057(3) Uani 1 1 d . . . . .
H4 H 0.1893 -0.0489 0.2065 0.068 Uiso 1 1 calc R . . . .
C5 C 0.2237(8) 0.0271(10) 0.3149(6) 0.057(2) Uani 1 1 d . . . . .
H5 H 0.2965 -0.0068 0.3299 0.068 Uiso 1 1 calc R . . . .
C5AA C -0.0767(6) 0.5046(8) 0.3456(4) 0.0322(16) Uani 1 1 d . . . . .
C6 C 0.1772(7) 0.1026(9) 0.3672(5) 0.044(2) Uani 1 1 d . . . . .
C7 C 0.2383(7) 0.1320(10) 0.4486(6) 0.046(2) Uani 1 1 d . . . . .
C8 C 0.3489(8) 0.0864(14) 0.4857(7) 0.074(3) Uani 1 1 d . . . . .
H8 H 0.3918 0.0312 0.4605 0.089 Uiso 1 1 calc R . . . .
C9 C 0.3885(9) 0.1317(16) 0.5640(7) 0.081(4) Uani 1 1 d . . . . .
H9 H 0.4594 0.1024 0.5909 0.097 Uiso 1 1 calc R . . . .
C10 C 0.3299(10) 0.2131(16) 0.6005(7) 0.073(3) Uani 1 1 d . . . . .
H10 H 0.3606 0.2433 0.6510 0.088 Uiso 1 1 calc R . . . .
C11 C 0.2213(8) 0.2532(10) 0.5621(5) 0.050(2) Uani 1 1 d . . . . .
C12 C 0.1435(7) 0.3351(10) 0.5940(5) 0.047(2) Uani 1 1 d . . . . .
C13 C 0.1708(9) 0.4091(11) 0.6661(5) 0.058(3) Uani 1 1 d . . . . .
H13 H 0.2426 0.4044 0.6978 0.069 Uiso 1 1 calc R . . . .
C14 C 0.0905(12) 0.4878(11) 0.6890(6) 0.068(3) Uani 1 1 d . . . . .
H14 H 0.1090 0.5404 0.7351 0.082 Uiso 1 1 calc R . . . .
C15 C -0.0153(11) 0.4893(11) 0.6446(6) 0.060(3) Uani 1 1 d . . . . .
H15 H -0.0705 0.5396 0.6605 0.072 Uiso 1 1 calc R . . . .
C16 C -0.0396(8) 0.4135(9) 0.5746(5) 0.048(2) Uani 1 1 d . . . . .
H16 H -0.1123 0.4134 0.5444 0.057 Uiso 1 1 calc R . . . .
C17 C 0.1103(7) 0.5498(8) 0.4015(4) 0.0379(18) Uani 1 1 d . . . . .
H17 H 0.1785 0.5184 0.4322 0.045 Uiso 1 1 calc R . . . .
C18 C 0.1025(8) 0.6887(10) 0.3684(5) 0.044(2) Uani 1 1 d . . . . .
H18 H 0.1649 0.7491 0.3767 0.053 Uiso 1 1 calc R . . . .
C19 C 0.0039(9) 0.7376(8) 0.3238(5) 0.044(2) Uani 1 1 d . . . . .
H19 H -0.0021 0.8314 0.3015 0.053 Uiso 1 1 calc R . . . .
C20 C -0.0869(7) 0.6461(8) 0.3121(4) 0.0391(18) Uani 1 1 d . . . . .
H20 H -0.1552 0.6781 0.2819 0.047 Uiso 1 1 calc R . . . .
C21 C 0.0089(6) -0.0663(8) 0.4999(4) 0.0323(16) Uani 1 1 d . . . . .
H21 H 0.0830 -0.0536 0.5260 0.039 Uiso 1 1 calc R . . . .
C22 C -0.0416(8) -0.1996(10) 0.5087(5) 0.041(2) Uani 1 1 d . . . . .
H22 H -0.0026 -0.2737 0.5405 0.050 Uiso 1 1 calc R . . . .
C23 C -0.1495(7) -0.2197(8) 0.4697(5) 0.041(2) Uani 1 1 d . . . . .
H23 H -0.1850 -0.3089 0.4737 0.049 Uiso 1 1 calc R . . . .
C24 C -0.2061(6) -0.1063(8) 0.4239(5) 0.0373(18) Uani 1 1 d . . . . .
H24 H -0.2803 -0.1185 0.3978 0.045 Uiso 1 1 calc R . . . .
C25 C -0.1528(6) 0.0239(8) 0.4172(4) 0.0300(16) Uani 1 1 d . . . . .
C26 C -0.2058(6) 0.1515(8) 0.3699(4) 0.0307(16) Uani 1 1 d . . . . .
C27 C -0.3106(6) 0.1579(8) 0.3225(4) 0.0322(17) Uani 1 1 d . . . . .
H27 H -0.3581 0.0773 0.3189 0.039 Uiso 1 1 calc R . . . .
C28 C -0.3464(7) 0.2869(9) 0.2790(5) 0.0340(18) Uani 1 1 d . . . . .
C29 C -0.2724(6) 0.4066(8) 0.2856(4) 0.0347(17) Uani 1 1 d . . . . .
H29 H -0.2941 0.4921 0.2566 0.042 Uiso 1 1 calc R . . . .
C30 C -0.1678(6) 0.3974(7) 0.3348(4) 0.0294(15) Uani 1 1 d . . . . .
C31 C -0.4566(6) 0.2927(8) 0.2221(5) 0.0350(17) Uani 1 1 d . . . . .
C32 C -0.4715(7) 0.3353(10) 0.1453(5) 0.049(2) Uani 1 1 d . . . . .
C33 C -0.5685(8) 0.3340(11) 0.0905(5) 0.060(3) Uani 1 1 d . . . . .
H33 H -0.5725 0.3586 0.0396 0.071 Uiso 1 1 calc R . . . .
C34 C -0.6607(8) 0.2946(10) 0.1137(6) 0.053(3) Uani 1 1 d . . . . .
C35 C -0.6551(8) 0.2537(9) 0.1880(6) 0.051(2) Uani 1 1 d . . . . .
H35 H -0.7188 0.2268 0.2023 0.061 Uiso 1 1 calc R . . . .
C36 C -0.5552(7) 0.2533(8) 0.2400(5) 0.0361(18) Uani 1 1 d . . . . .
P1 P 0.4811(2) 0.7017(3) 0.34504(15) 0.0506(6) Uani 1 1 d . . . . .
F4 F 0.3632(7) 0.7474(7) 0.2940(5) 0.101(3) Uani 1 1 d . U . . .
F5 F 0.6004(5) 0.6545(8) 0.3932(5) 0.105(3) Uani 1 1 d . U . . .
F6 F 0.5162(7) 0.8619(9) 0.3430(7) 0.145(4) Uani 1 1 d . U . . .
F7 F 0.4422(10) 0.5424(12) 0.3615(9) 0.190(5) Uani 1 1 d . U . . .
F8 F 0.4873(11) 0.6133(16) 0.2766(8) 0.189(5) Uani 1 1 d . U . . .
F9 F 0.4434(14) 0.7432(15) 0.4152(8) 0.191(6) Uani 1 1 d . U . . .
C37 C 0.7084(10) 1.0336(13) 0.1286(7) 0.076(3) Uani 1 1 d . . . . .
H37 H 0.7234 1.1204 0.1575 0.091 Uiso 1 1 calc R . . . .
C38 C 0.6544(10) 1.0435(15) 0.0527(7) 0.077(3) Uani 1 1 d . . . . .
H38 H 0.6310 1.1350 0.0304 0.093 Uiso 1 1 calc R . . . .
C39 C 0.6345(9) 0.9122(12) 0.0082(7) 0.066(3) Uani 1 1 d . . . . .
H39 H 0.6009 0.9174 -0.0444 0.079 Uiso 1 1 calc R . . . .
C40 C 0.6649(12) 0.7768(13) 0.0427(7) 0.073(3) Uani 1 1 d . . . . .
C41 C 0.7188(16) 0.7715(16) 0.1162(9) 0.102(5) Uani 1 1 d . . . . .
H41 H 0.7433 0.6801 0.1381 0.123 Uiso 1 1 calc R . . . .
C42 C 0.7410(12) 0.9031(13) 0.1637(8) 0.095(5) Uani 1 1 d . . . . .
H42 H 0.7761 0.8978 0.2161 0.114 Uiso 1 1 calc R . . . .
C43 C 0.6314(15) 0.6348(14) -0.0043(7) 0.109(6) Uani 1 1 d . . . . .
H43A H 0.5532 0.6364 -0.0281 0.164 Uiso 1 1 calc GR . . . .
H43B H 0.6492 0.5501 0.0291 0.164 Uiso 1 1 calc GR . . . .
H43C H 0.6710 0.6286 -0.0434 0.164 Uiso 1 1 calc GR . . . .
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'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D0DT01412E 2020
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 N2 76.6(3) . . ?
N1 Ru1 N3 102.6(3) . . ?
N1 Ru1 N5 97.9(3) . . ?
N1 Ru1 C1 80.8(4) . . ?
N3 Ru1 N2 90.0(2) . . ?
N4 Ru1 N1 174.8(4) . . ?
N4 Ru1 N2 108.1(3) . . ?
N4 Ru1 N3 79.8(3) . . ?
N4 Ru1 N5 79.6(3) . . ?
N4 Ru1 C1 94.5(4) . . ?
N5 Ru1 N2 96.6(2) . . ?
N5 Ru1 N3 159.4(2) . . ?
C1 Ru1 N2 157.3(3) . . ?
C1 Ru1 N3 92.3(3) . . ?
C1 Ru1 N5 89.1(3) . . ?
C7 N1 Ru1 117.5(7) . . ?
C7 N1 C11 122.5(10) . . ?
C11 N1 Ru1 119.8(8) . . ?
C12 N2 Ru1 113.5(6) . . ?
C16 N2 Ru1 127.0(6) . . ?
C16 N2 C12 119.0(7) . . ?
C5AA N3 Ru1 113.2(5) . . ?
C17 N3 Ru1 127.8(5) . . ?
C17 N3 C5AA 119.0(6) . . ?
C26 N4 Ru1 119.0(6) . . ?
C30 N4 Ru1 119.2(6) . . ?
C30 N4 C26 121.1(8) . . ?
C21 N5 Ru1 128.8(5) . . ?
C21 N5 C25 116.7(6) . . ?
C25 N5 Ru1 114.5(4) . . ?
C2 C1 Ru1 130.0(6) . . ?
C2 C1 C6 117.3(8) . . ?
C6 C1 Ru1 112.7(6) . . ?
C1 C2 C3 121.3(8) . . ?
C4 C3 C2 120.1(9) . . ?
C3 C4 C5 121.0(9) . . ?
C4 C5 C6 118.9(9) . . ?
N3 C5AA C20 119.8(7) . . ?
N3 C5AA C30 116.0(6) . . ?
C20 C5AA C30 124.1(7) . . ?
C1 C6 C7 115.2(7) . . ?
C5 C6 C1 121.4(9) . . ?
C5 C6 C7 123.3(8) . . ?
N1 C7 C6 113.1(7) . . ?
N1 C7 C8 120.5(10) . . ?
C8 C7 C6 126.4(9) . . ?
C9 C8 C7 115.1(11) . . ?
C10 C9 C8 123.6(11) . . ?
C9 C10 C11 119.2(11) . . ?
N1 C11 C10 119.0(11) . . ?
N1 C11 C12 114.1(8) . . ?
C10 C11 C12 126.8(10) . . ?
N2 C12 C11 115.5(7) . . ?
N2 C12 C13 119.5(9) . . ?
C13 C12 C11 125.0(8) . . ?
C14 C13 C12 119.7(9) . . ?
C15 C14 C13 120.3(10) . . ?
C14 C15 C16 118.5(11) . . ?
N2 C16 C15 122.9(10) . . ?
N3 C17 C18 122.1(7) . . ?
C19 C18 C17 120.1(8) . . ?
C18 C19 C20 118.8(7) . . ?
C19 C20 C5AA 120.1(8) . . ?
N5 C21 C22 123.7(7) . . ?
C23 C22 C21 118.4(7) . . ?
C22 C23 C24 119.5(7) . . ?
C25 C24 C23 120.0(7) . . ?
N5 C25 C26 114.2(6) . . ?
C24 C25 N5 121.7(6) . . ?
C24 C25 C26 124.1(6) . . ?
N4 C26 C25 112.3(7) . . ?
C27 C26 N4 120.4(7) . . ?
C27 C26 C25 127.2(7) . . ?
C26 C27 C28 119.8(7) . . ?
C27 C28 C31 121.0(7) . . ?
C29 C28 C27 118.7(7) . . ?
C29 C28 C31 120.1(7) . . ?
C30 C29 C28 120.1(7) . . ?
N4 C30 C5AA 111.7(7) . . ?
N4 C30 C29 119.8(7) . . ?
C29 C30 C5AA 128.3(6) . . ?
C32 C31 C28 123.5(8) . . ?
C32 C31 C36 113.5(7) . . ?
C36 C31 C28 123.0(7) . . ?
F3 C32 C31 116.7(7) . . ?
C33 C32 F3 117.5(8) . . ?
C33 C32 C31 125.7(8) . . ?
C32 C33 C34 116.5(8) . . ?
F1 C34 C33 119.6(9) . . ?
F1 C34 C35 118.3(9) . . ?
C35 C34 C33 122.1(8) . . ?
C36 C35 C34 118.7(9) . . ?
F2 C36 C31 117.0(7) . . ?
F2 C36 C35 119.7(8) . . ?
C35 C36 C31 123.3(8) . . ?
F4 P1 F5 177.8(6) . . ?
F6 P1 F4 88.2(4) . . ?
F6 P1 F5 91.9(4) . . ?
F6 P1 F7 169.9(9) . . ?
F7 P1 F4 93.5(5) . . ?
F7 P1 F5 86.8(5) . . ?
F8 P1 F4 84.3(6) . . ?
F8 P1 F5 93.7(6) . . ?
F8 P1 F6 114.5(10) . . ?
F8 P1 F7 75.5(8) . . ?
F8 P1 F9 157.4(10) . . ?
F9 P1 F4 88.5(7) . . ?
F9 P1 F5 93.7(7) . . ?
F9 P1 F6 86.5(8) . . ?
F9 P1 F7 83.6(9) . . ?
C42 C37 C38 122.6(12) . . ?
C37 C38 C39 118.8(12) . . ?
C40 C39 C38 120.0(11) . . ?
C39 C40 C43 119.3(11) . . ?
C41 C40 C39 119.5(12) . . ?
C41 C40 C43 121.2(12) . . ?
C40 C41 C42 122.1(13) . . ?
C37 C42 C41 116.8(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 2.012(9) . ?
Ru1 N2 2.177(7) . ?
Ru1 N3 2.056(6) . ?
Ru1 N4 1.950(9) . ?
Ru1 N5 2.053(6) . ?
Ru1 C1 2.026(8) . ?
F1 C34 1.348(10) . ?
F2 C36 1.336(10) . ?
F3 C32 1.364(10) . ?
N1 C7 1.334(13) . ?
N1 C11 1.369(13) . ?
N2 C12 1.361(10) . ?
N2 C16 1.345(11) . ?
N3 C5AA 1.365(9) . ?
N3 C17 1.335(9) . ?
N4 C26 1.374(10) . ?
N4 C30 1.365(10) . ?
N5 C21 1.353(9) . ?
N5 C25 1.374(9) . ?
C1 C2 1.374(11) . ?
C1 C6 1.417(12) . ?
C2 C3 1.408(13) . ?
C3 C4 1.363(14) . ?
C4 C5 1.375(14) . ?
C5 C6 1.402(13) . ?
C5AA C20 1.402(10) . ?
C5AA C30 1.466(10) . ?
C6 C7 1.488(13) . ?
C7 C8 1.429(14) . ?
C8 C9 1.424(17) . ?
C9 C10 1.324(18) . ?
C10 C11 1.400(14) . ?
C11 C12 1.451(14) . ?
C12 C13 1.418(13) . ?
C13 C14 1.376(16) . ?
C14 C15 1.354(16) . ?
C15 C16 1.393(13) . ?
C17 C18 1.378(12) . ?
C18 C19 1.356(13) . ?
C19 C20 1.373(12) . ?
C21 C22 1.384(12) . ?
C22 C23 1.360(12) . ?
C23 C24 1.385(11) . ?
C24 C25 1.370(10) . ?
C25 C26 1.479(9) . ?
C26 C27 1.365(10) . ?
C27 C28 1.407(11) . ?
C28 C29 1.405(11) . ?
C28 C31 1.488(11) . ?
C29 C30 1.376(10) . ?
C31 C32 1.397(12) . ?
C31 C36 1.398(12) . ?
C32 C33 1.347(12) . ?
C33 C34 1.370(14) . ?
C34 C35 1.369(15) . ?
C35 C36 1.351(12) . ?
P1 F4 1.574(7) . ?
P1 F5 1.575(6) . ?
P1 F6 1.511(8) . ?
P1 F7 1.568(10) . ?
P1 F8 1.483(12) . ?
P1 F9 1.504(14) . ?
C37 C38 1.358(15) . ?
C37 C42 1.347(16) . ?
C38 C39 1.413(16) . ?
C39 C40 1.376(16) . ?
C40 C41 1.318(19) . ?
C40 C43 1.530(15) . ?
C41 C42 1.446(17) . ?
