#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:35:53 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186422 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/97/7039780.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_7039780
loop_
_publ_author_name
'Lord, Rianne M.'
'Allison, Simon J.'
'Rafferty, Karen'
'Ghandhi, Laura'
'Pask, Christopher M.'
'McGowan, Patrick C.'
_publ_section_title
;
 Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing
 induced cancer cell death by apoptosis.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13196
_journal_page_last               13203
_journal_paper_doi               10.1039/c6dt01464j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C52 H49 Br2 F2 N4 O2 Ru2, F6 P'
_chemical_formula_sum            'C52 H49 Br2 F8 N4 O2 P Ru2'
_chemical_formula_weight         1306.88
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-06-16
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-06-30 deposited with the CCDC.
2016-07-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.325(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.309(3)
_cell_length_b                   10.0915(9)
_cell_length_c                   18.4285(16)
_cell_measurement_reflns_used    9369
_cell_measurement_temperature    148(2)
_cell_measurement_theta_max      28.808
_cell_measurement_theta_min      2.229
_cell_volume                     5125.4(8)
_computing_cell_refinement       'APEX 2 software, Bruker Nonius 2004'
_computing_data_collection       'APEX 2 software, Bruker Nonius 2004'
_computing_data_reduction        'SAINT, Bruker Nonius 2004'
_computing_molecular_graphics    'ORTEX (McArdle, 1995)'
_computing_publication_material  'local program'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      148.15
_diffrn_detector_area_resol_mean '120 microns'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker X8 Apex diffractometer'
_diffrn_measurement_method       'Rotation images'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33840
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.967
_diffrn_reflns_theta_min         2.149
_diffrn_source                   'rotating anode'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.253
_exptl_absorpt_correction_T_max  0.9563
_exptl_absorpt_correction_T_min  0.5234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G.M. (2002). SADABS v. 2.03. University of Gottingen, Germany.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6751
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0326
_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)+(0.0282P)²+5.6420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0694
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5289
_reflns_number_total             6751
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt01464j2.cif
_cod_data_source_block           kr220_0m
_cod_depositor_comments
'Adding full bibliography for 7039777--7039782.cif.'
_cod_original_cell_volume        5125.5(8)
_cod_database_code               7039780
_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.
;
_shelx_estimated_absorpt_t_max   0.956
_shelx_estimated_absorpt_t_min   0.523
_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 Ternary CH refined with riding coordinates:
 C24(H24)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C7(H7), C2(H2), C3(H3), C5(H5), C4(H4), C12(H12), C13(H13), C15(H15),
 C14(H14), C20(H20), C22(H22), C19(H19), C23(H23)
2.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Ru1 Ru 0.12873(2) 0.72303(2) 0.48563(2) 0.01456(6) Uani 1 1 d . . .
Br1 Br 0.07579(2) 0.57707(3) 0.36297(2) 0.02211(7) Uani 1 1 d . . .
O1 O 0.00882(6) 0.95487(18) 0.44738(11) 0.0229(4) Uani 1 1 d . . .
N1 N 0.07300(7) 0.86163(19) 0.43696(12) 0.0156(4) Uani 1 1 d . . .
C11 C 0.07261(9) 0.9672(2) 0.38422(15) 0.0174(5) Uani 1 1 d . . .
C10 C 0.04192(9) 0.8646(2) 0.46602(15) 0.0163(5) Uani 1 1 d . . .
N2 N 0.08095(7) 0.6618(2) 0.53199(12) 0.0157(4) Uani 1 1 d . . .
C6 C 0.05069(9) 0.5227(3) 0.60694(15) 0.0201(5) Uani 1 1 d . . .
C8 C 0.01214(9) 0.7319(3) 0.55055(16) 0.0198(5) Uani 1 1 d . . .
H8 H -0.0123 0.7963 0.5401 0.024 Uiso 1 1 calc R . .
C1 C 0.08273(9) 0.5440(2) 0.57224(15) 0.0171(5) Uani 1 1 d . . .
C7 C 0.01573(9) 0.6208(3) 0.59577(16) 0.0222(6) Uani 1 1 d . . .
H7 H -0.0051 0.6095 0.6195 0.027 Uiso 1 1 calc R . .
C9 C 0.04551(9) 0.7494(2) 0.51948(15) 0.0165(5) Uani 1 1 d . . .
C2 C 0.11513(10) 0.4414(2) 0.57756(16) 0.0221(6) Uani 1 1 d . . .
H2 H 0.1353 0.4524 0.5524 0.027 Uiso 1 1 calc R . .
C3 C 0.11737(10) 0.3261(3) 0.61906(16) 0.0248(6) Uani 1 1 d . . .
H3 H 0.1396 0.2585 0.6232 0.030 Uiso 1 1 calc R . .
C5 C 0.05415(10) 0.4015(3) 0.64946(16) 0.0254(6) Uani 1 1 d . . .
H5 H 0.0336 0.3867 0.6735 0.030 Uiso 1 1 calc R . .
C4 C 0.08700(11) 0.3068(3) 0.65570(17) 0.0278(6) Uani 1 1 d . . .
H4 H 0.0895 0.2272 0.6849 0.033 Uiso 1 1 calc R . .
C12 C 0.06117(9) 0.9440(3) 0.30273(16) 0.0219(6) Uani 1 1 d . . .
H12 H 0.0522 0.8576 0.2801 0.026 Uiso 1 1 calc R . .
C16 C 0.08610(10) 1.0951(3) 0.41496(16) 0.0224(6) Uani 1 1 d . . .
C13 C 0.06288(10) 1.0475(3) 0.25399(18) 0.0314(7) Uani 1 1 d . . .
H13 H 0.0547 1.0313 0.1981 0.038 Uiso 1 1 calc R . .
C15 C 0.08839(11) 1.1993(3) 0.36846(19) 0.0312(7) Uani 1 1 d . . .
H15 H 0.0978 1.2853 0.3915 0.037 Uiso 1 1 calc R . .
C14 C 0.07643(11) 1.1745(3) 0.28655(19) 0.0355(7) Uani 1 1 d . . .
H14 H 0.0775 1.2443 0.2529 0.043 Uiso 1 1 calc R . .
C21 C 0.19018(9) 0.7802(3) 0.60620(16) 0.0239(6) Uani 1 1 d . . .
C20 C 0.18255(9) 0.8791(3) 0.54763(18) 0.0269(6) Uani 1 1 d . . .
H20 H 0.1776 0.9681 0.5588 0.032 Uiso 1 1 calc R . .
C22 C 0.19808(9) 0.6479(3) 0.58651(17) 0.0272(6) Uani 1 1 d . . .
H22 H 0.2045 0.5793 0.6257 0.033 Uiso 1 1 calc R . .
C18 C 0.18830(10) 0.7177(3) 0.45184(18) 0.0310(7) Uani 1 1 d . . .
C19 C 0.18205(9) 0.8479(3) 0.47108(18) 0.0309(7) Uani 1 1 d . . .
H19 H 0.1774 0.9168 0.4329 0.037 Uiso 1 1 calc R . .
C23 C 0.19658(9) 0.6169(3) 0.51108(19) 0.0302(7) Uani 1 1 d . . .
H23 H 0.2011 0.5279 0.4995 0.036 Uiso 1 1 calc R . .
C17 C 0.18453(12) 0.6819(4) 0.3688(2) 0.0541(11) Uani 1 1 d . . .
H17A H 0.1741 0.7598 0.3327 0.081 Uiso 1 1 calc GR . .
H17B H 0.1608 0.6105 0.3434 0.081 Uiso 1 1 calc GR . .
H17C H 0.2163 0.6523 0.3767 0.081 Uiso 1 1 calc GR . .
C24 C 0.19103(11) 0.8073(4) 0.68825(19) 0.0405(8) Uani 1 1 d . . .
H24 H 0.1758 0.7297 0.7009 0.049 Uiso 1 1 calc R . .
F1 F 0.09821(6) 1.11651(15) 0.49593(10) 0.0325(4) Uani 1 1 d . . .
C25 C 0.24485(13) 0.8146(5) 0.7559(2) 0.0644(12) Uani 1 1 d . . .
H25A H 0.2611 0.7307 0.7576 0.097 Uiso 1 1 calc GR . .
H25B H 0.2464 0.8305 0.8096 0.097 Uiso 1 1 calc GR . .
H25C H 0.2611 0.8872 0.7434 0.097 Uiso 1 1 calc GR . .
C26 C 0.16323(14) 0.9318(5) 0.6888(2) 0.0698(13) Uani 1 1 d . . .
H26A H 0.1806 1.0106 0.6858 0.105 Uiso 1 1 calc GR . .
H26B H 0.1606 0.9343 0.7397 0.105 Uiso 1 1 calc GR . .
H26C H 0.1307 0.9301 0.6412 0.105 Uiso 1 1 calc GR . .
P1 P 0.2500 0.2500 0.5000 0.0416(3) Uani 1 2 d S T P
F4 F 0.20449(8) 0.2805(2) 0.51571(16) 0.0693(7) Uani 1 1 d . . .
F2 F 0.23098(10) 0.3584(2) 0.42899(15) 0.0784(8) Uani 1 1 d . . .
F3 F 0.22004(8) 0.1377(2) 0.43369(15) 0.0696(7) Uani 1 1 d . . .
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'
Br Br -0.2901 2.4595 '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'
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
N1 Ru1 Br1 86.93(6) . .
N1 Ru1 N2 76.31(8) . .
N1 Ru1 C21 114.14(9) . .
N1 Ru1 C20 91.25(9) . .
N1 Ru1 C22 151.60(9) . .
N1 Ru1 C18 122.54(10) . .
N1 Ru1 C19 95.28(10) . .
N1 Ru1 C23 159.79(10) . .
N2 Ru1 Br1 84.45(5) . .
N2 Ru1 C21 96.53(8) . .
N2 Ru1 C20 120.71(9) . .
N2 Ru1 C22 99.14(9) . .
N2 Ru1 C18 160.42(10) . .
N2 Ru1 C19 158.03(10) . .
N2 Ru1 C23 123.87(10) . .
C21 Ru1 Br1 158.60(7) . .
C21 Ru1 C22 37.78(10) . .
C21 Ru1 C18 80.97(10) . .
C21 Ru1 C23 68.02(10) . .
C20 Ru1 Br1 153.56(8) . .
C20 Ru1 C21 37.17(10) . .
C20 Ru1 C22 66.65(10) . .
C20 Ru1 C18 67.95(11) . .
C20 Ru1 C19 38.18(11) . .
C20 Ru1 C23 79.32(10) . .
C22 Ru1 Br1 120.87(8) . .
C22 Ru1 C18 67.03(11) . .
C22 Ru1 C23 36.88(10) . .
C18 Ru1 Br1 90.95(8) . .
C19 Ru1 Br1 115.72(8) . .
C19 Ru1 C21 68.07(10) . .
C19 Ru1 C22 78.51(10) . .
C19 Ru1 C18 36.74(11) . .
C19 Ru1 C23 66.30(11) . .
C23 Ru1 Br1 93.62(8) . .
C23 Ru1 C18 37.29(11) . .
C11 N1 Ru1 121.75(14) . .
C10 N1 Ru1 118.15(16) . .
C10 N1 C11 119.2(2) . .
C12 C11 N1 121.4(2) . .
C12 C11 C16 118.0(2) . .
C16 C11 N1 120.5(2) . .
O1 C10 N1 124.1(2) . .
O1 C10 C9 121.4(2) . .
N1 C10 C9 114.3(2) . .
C1 N2 Ru1 127.08(16) . .
C9 N2 Ru1 114.65(15) . .
C9 N2 C1 118.3(2) . .
C7 C6 C1 119.0(2) . .
C7 C6 C5 122.0(2) . .
C5 C6 C1 119.0(2) . .
C7 C8 H8 120.6 . .
C7 C8 C9 118.9(2) . .
C9 C8 H8 120.6 . .
N2 C1 C6 120.4(2) . .
N2 C1 C2 120.5(2) . .
C2 C1 C6 119.1(2) . .
C6 C7 H7 120.2 . .
C8 C7 C6 119.7(2) . .
C8 C7 H7 120.2 . .
N2 C9 C10 114.9(2) . .
N2 C9 C8 123.5(2) . .
C8 C9 C10 121.5(2) . .
C1 C2 H2 119.9 . .
C3 C2 C1 120.1(2) . .
C3 C2 H2 119.9 . .
C2 C3 H3 119.6 . .
C2 C3 C4 120.8(3) . .
C4 C3 H3 119.6 . .
C6 C5 H5 119.9 . .
C4 C5 C6 120.2(2) . .
C4 C5 H5 119.9 . .
C3 C4 H4 119.6 . .
C5 C4 C3 120.8(2) . .
C5 C4 H4 119.6 . .
C11 C12 H12 120.0 . .
C11 C12 C13 120.1(3) . .
C13 C12 H12 120.0 . .
C15 C16 C11 123.3(2) . .
F1 C16 C11 117.6(2) . .
F1 C16 C15 119.1(2) . .
C12 C13 H13 119.7 . .
C14 C13 C12 120.5(3) . .
C14 C13 H13 119.7 . .
C16 C15 H15 121.0 . .
C16 C15 C14 118.0(3) . .
C14 C15 H15 121.0 . .
C13 C14 C15 120.1(3) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C20 C21 Ru1 70.40(15) . .
C20 C21 C22 117.0(2) . .
C20 C21 C24 123.5(3) . .
C22 C21 Ru1 71.11(15) . .
C22 C21 C24 119.6(3) . .
C24 C21 Ru1 129.74(19) . .
Ru1 C20 H20 129.0 . .
C21 C20 Ru1 72.43(15) . .
C21 C20 H20 119.5 . .
C21 C20 C19 121.1(3) . .
C19 C20 Ru1 71.52(16) . .
C19 C20 H20 119.5 . .
Ru1 C22 H22 131.0 . .
C21 C22 Ru1 71.11(15) . .
C21 C22 H22 119.0 . .
C23 C22 Ru1 71.73(16) . .
C23 C22 C21 121.9(3) . .
C23 C22 H22 119.0 . .
C19 C18 Ru1 70.75(14) . .
C19 C18 C23 118.3(2) . .
C19 C18 C17 121.6(3) . .
C23 C18 Ru1 71.04(15) . .
C23 C18 C17 120.1(3) . .
C17 C18 Ru1 127.6(2) . .
Ru1 C19 H19 130.4 . .
C20 C19 Ru1 70.30(15) . .
C20 C19 H19 119.4 . .
C18 C19 Ru1 72.51(16) . .
C18 C19 C20 121.1(3) . .
C18 C19 H19 119.4 . .
Ru1 C23 H23 129.7 . .
C22 C23 Ru1 71.39(15) . .
C22 C23 C18 120.6(3) . .
C22 C23 H23 119.7 . .
C18 C23 Ru1 71.67(15) . .
C18 C23 H23 119.7 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C21 C24 H24 107.8 . .
C21 C24 C25 107.9(2) . .
C21 C24 C26 114.3(3) . .
C25 C24 H24 107.8 . .
C26 C24 H24 107.8 . .
C26 C24 C25 111.1(3) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
F4 P1 F4 180.0 7_556 .
F2 P1 F4 90.07(13) . 7_556
F2 P1 F4 89.93(13) 7_556 7_556
F2 P1 F4 89.93(13) . .
F2 P1 F4 90.07(13) 7_556 .
F2 P1 F2 180.0 7_556 .
F2 P1 F3 89.77(13) 7_556 .
F2 P1 F3 90.23(13) 7_556 7_556
F2 P1 F3 89.77(13) . 7_556
F2 P1 F3 90.23(13) . .
F3 P1 F4 91.39(12) . .
F3 P1 F4 88.61(12) 7_556 .
F3 P1 F4 88.61(12) . 7_556
F3 P1 F4 91.39(12) 7_556 7_556
F3 P1 F3 180.0 7_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Br1 2.5439(4) .
Ru1 N1 2.0786(19) .
Ru1 N2 2.1360(19) .
Ru1 C21 2.217(3) .
Ru1 C20 2.191(3) .
Ru1 C22 2.217(3) .
Ru1 C18 2.230(2) .
Ru1 C19 2.207(3) .
Ru1 C23 2.221(3) .
O1 C10 1.297(3) .
N1 C11 1.438(3) .
N1 C10 1.315(3) .
C11 C12 1.389(4) .
C11 C16 1.392(4) .
C10 C9 1.493(3) .
N2 C1 1.388(3) .
N2 C9 1.350(3) .
C6 C1 1.439(3) .
C6 C7 1.417(4) .
C6 C5 1.428(4) .
C8 H8 0.9500 .
C8 C7 1.370(4) .
C8 C9 1.421(3) .
C1 C2 1.420(3) .
C7 H7 0.9500 .
C2 H2 0.9500 .
C2 C3 1.376(4) .
C3 H3 0.9500 .
C3 C4 1.417(4) .
C5 H5 0.9500 .
C5 C4 1.369(4) .
C4 H4 0.9500 .
C12 H12 0.9500 .
C12 C13 1.395(4) .
C16 C15 1.379(4) .
C16 F1 1.371(3) .
C13 H13 0.9500 .
C13 C14 1.393(4) .
C15 H15 0.9500 .
C15 C14 1.395(4) .
C14 H14 0.9500 .
C21 C20 1.405(4) .
C21 C22 1.436(4) .
C21 C24 1.524(4) .
C20 H20 0.9500 .
C20 C19 1.438(4) .
C22 H22 0.9500 .
C22 C23 1.404(4) .
C18 C19 1.398(4) .
C18 C23 1.423(4) .
C18 C17 1.522(4) .
C19 H19 0.9500 .
C23 H23 0.9500 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C24 H24 1.0000 .
C24 C25 1.551(5) .
C24 C26 1.531(5) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
P1 F4 1.612(2) 7_556
P1 F4 1.612(2) .
P1 F2 1.589(2) 7_556
P1 F2 1.589(2) .
P1 F3 1.603(2) 7_556
P1 F3 1.603(2) .
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
Ru1 N1 C11 C12 75.0(3)
Ru1 N1 C11 C16 -101.8(2)
Ru1 N1 C10 O1 172.34(18)
Ru1 N1 C10 C9 -11.2(3)
Ru1 N2 C1 C6 173.96(17)
Ru1 N2 C1 C2 -8.0(3)
Ru1 N2 C9 C10 7.7(3)
Ru1 N2 C9 C8 -175.43(19)
Ru1 C21 C20 C19 -54.6(2)
Ru1 C21 C22 C23 52.9(2)
Ru1 C21 C24 C25 168.4(3)
Ru1 C21 C24 C26 -67.5(4)
Ru1 C20 C19 C18 -53.9(2)
Ru1 C22 C23 C18 54.2(2)
Ru1 C18 C19 C20 52.9(2)
Ru1 C18 C23 C22 -54.1(2)
O1 C10 C9 N2 178.5(2)
O1 C10 C9 C8 1.6(4)
N1 C11 C12 C13 -177.6(2)
N1 C11 C16 C15 177.3(2)
N1 C11 C16 F1 -1.9(3)
N1 C10 C9 N2 1.9(3)
N1 C10 C9 C8 -175.0(2)
C11 N1 C10 O1 3.2(4)
C11 N1 C10 C9 179.6(2)
C11 C12 C13 C14 0.6(4)
C11 C16 C15 C14 0.1(4)
C10 N1 C11 C12 -116.2(3)
C10 N1 C11 C16 66.9(3)
N2 C1 C2 C3 178.6(2)
C6 C1 C2 C3 -3.2(4)
C6 C5 C4 C3 -1.1(4)
C1 N2 C9 C10 -172.0(2)
C1 N2 C9 C8 4.8(4)
C1 C6 C7 C8 1.7(4)
C1 C6 C5 C4 -1.0(4)
C1 C2 C3 C4 1.1(4)
C7 C6 C1 N2 3.2(4)
C7 C6 C1 C2 -175.0(2)
C7 C6 C5 C4 177.1(3)
C7 C8 C9 C10 176.7(2)
C7 C8 C9 N2 0.1(4)
C9 N2 C1 C6 -6.3(3)
C9 N2 C1 C2 171.8(2)
C9 C8 C7 C6 -3.3(4)
C2 C3 C4 C5 1.1(4)
C5 C6 C1 N2 -178.7(2)
C5 C6 C1 C2 3.2(4)
C5 C6 C7 C8 -176.4(2)
C12 C11 C16 C15 0.3(4)
C12 C11 C16 F1 -178.8(2)
C12 C13 C14 C15 -0.1(4)
C16 C11 C12 C13 -0.7(4)
C16 C15 C14 C13 -0.2(4)
C21 C20 C19 Ru1 55.0(2)
C21 C20 C19 C18 1.1(4)
C21 C22 C23 Ru1 -52.6(2)
C21 C22 C23 C18 1.6(4)
C20 C21 C22 Ru1 -55.1(2)
C20 C21 C22 C23 -2.2(4)
C20 C21 C24 C25 -100.0(4)
C20 C21 C24 C26 24.0(4)
C22 C21 C20 Ru1 55.5(2)
C22 C21 C20 C19 0.9(4)
C22 C21 C24 C25 79.2(4)
C22 C21 C24 C26 -156.8(3)
C19 C18 C23 Ru1 54.5(2)
C19 C18 C23 C22 0.4(4)
C23 C18 C19 Ru1 -54.7(2)
C23 C18 C19 C20 -1.8(4)
C17 C18 C19 Ru1 123.0(3)
C17 C18 C19 C20 175.9(2)
C17 C18 C23 Ru1 -123.2(3)
C17 C18 C23 C22 -177.3(3)
C24 C21 C20 Ru1 -125.3(3)
C24 C21 C20 C19 -179.9(2)
C24 C21 C22 Ru1 125.6(2)
C24 C21 C22 C23 178.5(3)
F1 C16 C15 C14 179.3(2)
