#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:46:19 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250279 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703518.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_7703518
loop_
_publ_author_name
'Labra-Vázquez, Pablo'
'Bocé, Mathilde'
'Tassé, Marine'
'Mallet-Ladeira, Sonia'
'Lacroix, Pascal G.'
'Farfán, Norberto'
'Malfant, Isabelle'
_publ_section_title
;
 Chemical and photochemical behavior of ruthenium nitrosyl complexes with
 terpyridine ligands in aqueous media.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3138
_journal_page_last               3154
_journal_paper_doi               10.1039/c9dt04832d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C21 H16 Cl N4 O2 Ru, F6 P, C2 H3 N'
_chemical_formula_sum            'C23 H19 Cl F6 N5 O2 P Ru'
_chemical_formula_weight         678.92
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2019-11-28 deposited with the CCDC.	2020-02-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.003(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.9917(8)
_cell_length_b                   17.2990(6)
_cell_length_c                   14.1597(5)
_cell_measurement_reflns_used    9669
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      37.78
_cell_measurement_theta_min      2.95
_cell_volume                     5144.8(3)
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.019
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            105871
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         37.834
_diffrn_reflns_theta_min         3.779
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.852
_exptl_absorpt_correction_T_max  0.7474
_exptl_absorpt_correction_T_min  0.6553
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.071
_refine_diff_density_min         -0.813
_refine_diff_density_rms         0.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         13630
_refine_ls_number_restraints     152
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0259P)²+6.0629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0674
_reflns_Friedel_coverage         0
_reflns_number_gt                12136
_reflns_number_total             13630
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04832d2.cif
_cod_data_source_block           4a
_cod_depositor_comments
'Adding full bibliography for 7703513--7703518.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7703518
loop_
_symmetry_equiv_pos_as_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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.47793(4) 0.61065(6) 0.35567(8) 0.01674(15) Uani 1 1 d . . . . .
H1 H 0.448902 0.652378 0.329488 0.02 Uiso 1 1 calc R U . . .
C2 C 0.45600(5) 0.53549(6) 0.33089(8) 0.01873(17) Uani 1 1 d . . . . .
H2 H 0.412457 0.525775 0.288374 0.022 Uiso 1 1 calc R U . . .
C3 C 0.49843(5) 0.47488(6) 0.36896(8) 0.01816(16) Uani 1 1 d . . . . .
H3 H 0.484219 0.423049 0.352728 0.022 Uiso 1 1 calc R U . . .
C4 C 0.56205(5) 0.49022(6) 0.43117(8) 0.01600(15) Uani 1 1 d . . . . .
H4 H 0.591622 0.449107 0.45807 0.019 Uiso 1 1 calc R U . . .
C5 C 0.58161(4) 0.56645(5) 0.45329(7) 0.01373(14) Uani 1 1 d . . . . .
C6 C 0.64813(4) 0.58939(5) 0.51675(7) 0.01306(13) Uani 1 1 d . . . . .
C7 C 0.70000(4) 0.54086(5) 0.56170(7) 0.01487(14) Uani 1 1 d . . . . .
H7 H 0.694676 0.486399 0.554647 0.018 Uiso 1 1 calc R U . . .
C8 C 0.76065(4) 0.57264(5) 0.61789(7) 0.01369(14) Uani 1 1 d . . . . .
C16 C 0.81665(5) 0.52147(6) 0.66785(8) 0.01729(16) Uani 1 1 d D . . . .
C17 C 0.87122(10) 0.54985(11) 0.7505(2) 0.0244(6) Uani 0.581(6) 1 d D U P A 1
H17 H 0.872588 0.602152 0.771762 0.029 Uiso 0.581(6) 1 calc R U P A 1
C18 C 0.92290(11) 0.50169(12) 0.8009(3) 0.0335(8) Uani 0.581(6) 1 d D U P A 1
H18 H 0.960804 0.522015 0.852826 0.04 Uiso 0.581(6) 1 calc R U P A 1
C19 C 0.91922(19) 0.4237(2) 0.7754(4) 0.0264(7) Uani 0.581(6) 1 d D U P A 1
H19 H 0.955242 0.391446 0.808911 0.032 Uiso 0.581(6) 1 calc R U P A 1
C20 C 0.86431(18) 0.3925(3) 0.7026(5) 0.0201(10) Uani 0.581(6) 1 d D U P A 1
H20 H 0.860603 0.338427 0.689903 0.024 Uiso 0.581(6) 1 calc R U P A 1
C21 C 0.8141(3) 0.4424(3) 0.6477(5) 0.0190(8) Uani 0.581(6) 1 d D U P A 1
H21 H 0.776789 0.421694 0.594706 0.023 Uiso 0.581(6) 1 calc R U P A 1
C17' C 0.87939(13) 0.55308(16) 0.7035(4) 0.0260(9) Uani 0.419(6) 1 d D U P A 2
H17' H 0.88479 0.60709 0.697902 0.031 Uiso 0.419(6) 1 calc R U P A 2
C18' C 0.93259(14) 0.50572(18) 0.7462(4) 0.0336(11) Uani 0.419(6) 1 d D U P A 2
H18' H 0.973984 0.527831 0.77241 0.04 Uiso 0.419(6) 1 calc R U P A 2
C19' C 0.9256(2) 0.4262(3) 0.7507(5) 0.0225(8) Uani 0.419(6) 1 d D U P A 2
H19' H 0.961129 0.393267 0.784134 0.027 Uiso 0.419(6) 1 calc R U P A 2
C20' C 0.8656(4) 0.3980(6) 0.7052(10) 0.035(2) Uani 0.419(6) 1 d D U P A 2
H20' H 0.860825 0.343416 0.699964 0.042 Uiso 0.419(6) 1 calc R U P A 2
C21' C 0.8104(4) 0.4421(5) 0.6655(7) 0.0212(14) Uani 0.419(6) 1 d D U P A 2
H21' H 0.769604 0.418335 0.637632 0.025 Uiso 0.419(6) 1 calc R U P A 2
C9 C 0.76692(4) 0.65342(5) 0.62588(7) 0.01352(13) Uani 1 1 d . . . . .
H9 H 0.807656 0.676383 0.660742 0.016 Uiso 1 1 calc R U . . .
C10 C 0.71299(4) 0.69938(5) 0.58233(7) 0.01233(13) Uani 1 1 d . . . . .
C11 C 0.71005(4) 0.78465(5) 0.58757(7) 0.01316(13) Uani 1 1 d . . . . .
C12 C 0.76256(5) 0.83055(6) 0.64104(8) 0.01656(15) Uani 1 1 d . . . . .
H12 H 0.803557 0.808142 0.675489 0.02 Uiso 1 1 calc R U . . .
C13 C 0.75419(5) 0.91019(6) 0.64339(9) 0.01988(17) Uani 1 1 d . . . . .
H13 H 0.789424 0.942569 0.680986 0.024 Uiso 1 1 calc R U . . .
C14 C 0.69440(5) 0.94192(6) 0.59080(9) 0.02065(18) Uani 1 1 d . . . . .
H14 H 0.68823 0.996221 0.590849 0.025 Uiso 1 1 calc R U . . .
C15 C 0.64348(5) 0.89307(6) 0.53785(8) 0.01837(16) Uani 1 1 d . . . . .
H15 H 0.602343 0.914603 0.501434 0.022 Uiso 1 1 calc R U . . .
C22 C 0.64482(6) 0.70618(9) 0.07545(11) 0.0292(2) Uani 1 1 d . . . . .
C23 C 0.63706(8) 0.78290(10) 0.02923(16) 0.0394(3) Uani 1 1 d . . . . .
H23A H 0.609266 0.779615 -0.044568 0.059 Uiso 1 1 calc R U . . .
H23B H 0.67875 0.80306 0.0378 0.059 Uiso 1 1 calc R U . . .
H23C H 0.617955 0.817598 0.063417 0.059 Uiso 1 1 calc R U . . .
N2 N 0.53905(4) 0.62579(5) 0.41563(6) 0.01410(12) Uani 1 1 d . . . . .
N3 N 0.65612(4) 0.66615(5) 0.52997(6) 0.01272(12) Uani 1 1 d . . . . .
N4 N 0.65109(4) 0.81637(5) 0.53700(7) 0.01440(13) Uani 1 1 d . . . . .
N1 N 0.55636(4) 0.73300(5) 0.57165(7) 0.01542(13) Uani 1 1 d . . . . .
N5 N 0.65022(6) 0.64594(9) 0.11088(10) 0.0347(3) Uani 1 1 d . . . . .
O2 O 0.60238(4) 0.73739(4) 0.34905(6) 0.01614(12) Uani 1 1 d . . . . .
O1 O 0.53317(5) 0.73759(6) 0.62945(7) 0.02554(17) Uani 1 1 d . . . . .
Cl1 Cl 0.49201(2) 0.81613(2) 0.37802(2) 0.01906(4) Uani 1 1 d . . . . .
Ru1 Ru 0.58056(2) 0.73349(2) 0.46840(2) 0.01245(2) Uani 1 1 d . . . . .
P1 P 0.67593(2) 0.63946(2) 0.82425(2) 0.01648(4) Uani 1 1 d . . . . .
F1 F 0.61151(4) 0.66868(5) 0.83090(6) 0.02856(15) Uani 1 1 d . . . . .
F2 F 0.68288(5) 0.71963(5) 0.77448(8) 0.0356(2) Uani 1 1 d . . . . .
F3 F 0.71603(4) 0.67093(7) 0.93750(7) 0.0413(2) Uani 1 1 d . . . . .
F4 F 0.73957(4) 0.60839(5) 0.81675(6) 0.02812(15) Uani 1 1 d . . . . .
F5 F 0.66747(5) 0.55732(5) 0.87007(8) 0.0372(2) Uani 1 1 d . . . . .
F6 F 0.63476(4) 0.60719(5) 0.70976(6) 0.02900(16) Uani 1 1 d . . . . .
H2A H 0.5774(11) 0.7602(12) 0.3065(17) 0.035(5) Uiso 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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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'
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 C1 C2 121.56(9) . . ?
N2 C1 H1 119.2 . . ?
C2 C1 H1 119.2 . . ?
C3 C2 C1 119.06(9) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 119.68(9) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 119.00(9) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N2 C5 C4 120.70(8) . . ?
N2 C5 C6 115.76(8) . . ?
C4 C5 C6 123.54(8) . . ?
N3 C6 C7 119.48(8) . . ?
N3 C6 C5 113.53(8) . . ?
C7 C6 C5 126.99(8) . . ?
C6 C7 C8 119.59(8) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C9 C8 C7 118.70(8) . . ?
C9 C8 C16 120.97(8) . . ?
C7 C8 C16 120.33(8) . . ?
C21 C16 C17 117.5(3) . . ?
C21' C16 C17' 118.0(4) . . ?
C21' C16 C8 121.4(4) . . ?
C21 C16 C8 122.1(3) . . ?
C17 C16 C8 119.63(11) . . ?
C17' C16 C8 119.70(14) . . ?
C18 C17 C16 120.28(18) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 120.0(3) . . ?
C17 C18 H18 120 . . ?
C19 C18 H18 120 . . ?
C20 C19 C18 121.1(4) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C21 118.3(5) . . ?
C19 C20 H20 120.9 . . ?
C21 C20 H20 120.9 . . ?
C16 C21 C20 122.4(5) . . ?
C16 C21 H21 118.8 . . ?
C20 C21 H21 118.8 . . ?
C18' C17' C16 120.8(2) . . ?
C18' C17' H17' 119.6 . . ?
C16 C17' H17' 119.6 . . ?
C19' C18' C17' 120.4(3) . . ?
C19' C18' H18' 119.8 . . ?
C17' C18' H18' 119.8 . . ?
C20' C19' C18' 116.7(6) . . ?
C20' C19' H19' 121.6 . . ?
C18' C19' H19' 121.6 . . ?
C19' C20' C21' 125.5(9) . . ?
C19' C20' H20' 117.2 . . ?
C21' C20' H20' 117.2 . . ?
C16 C21' C20' 117.9(8) . . ?
C16 C21' H21' 121.1 . . ?
C20' C21' H21' 121.1 . . ?
C10 C9 C8 119.35(8) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
N3 C10 C9 119.57(8) . . ?
N3 C10 C11 113.61(8) . . ?
C9 C10 C11 126.82(8) . . ?
N4 C11 C12 121.03(9) . . ?
N4 C11 C10 115.50(8) . . ?
C12 C11 C10 123.46(8) . . ?
C11 C12 C13 118.80(9) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C14 C13 C12 119.76(9) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 118.92(9) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
N4 C15 C14 121.52(9) . . ?
N4 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
N5 C22 C23 179.24(18) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C1 N2 C5 120.01(8) . . ?
C1 N2 Ru1 127.61(7) . . ?
C5 N2 Ru1 112.32(6) . . ?
C10 N3 C6 123.22(8) . . ?
C10 N3 Ru1 118.39(6) . . ?
C6 N3 Ru1 118.39(6) . . ?
C15 N4 C11 119.95(8) . . ?
C15 N4 Ru1 127.30(7) . . ?
C11 N4 Ru1 112.73(6) . . ?
O1 N1 Ru1 170.57(8) . . ?
Ru1 O2 H2A 109.3(17) . . ?
N1 Ru1 O2 176.41(3) . . ?
N1 Ru1 N3 98.56(4) . . ?
O2 Ru1 N3 85.00(3) . . ?
N1 Ru1 N4 93.72(4) . . ?
O2 Ru1 N4 87.39(3) . . ?
N3 Ru1 N4 79.76(3) . . ?
N1 Ru1 N2 92.29(4) . . ?
O2 Ru1 N2 87.82(3) . . ?
N3 Ru1 N2 79.85(3) . . ?
N4 Ru1 N2 159.38(3) . . ?
N1 Ru1 Cl1 87.67(3) . . ?
O2 Ru1 Cl1 88.77(2) . . ?
N3 Ru1 Cl1 173.77(2) . . ?
N4 Ru1 Cl1 99.78(2) . . ?
N2 Ru1 Cl1 100.16(2) . . ?
F3 P1 F2 91.53(6) . . ?
F3 P1 F4 90.64(5) . . ?
F2 P1 F4 90.23(5) . . ?
F3 P1 F1 90.19(5) . . ?
F2 P1 F1 90.73(5) . . ?
F4 P1 F1 178.71(5) . . ?
F3 P1 F5 90.66(6) . . ?
F2 P1 F5 177.81(6) . . ?
F4 P1 F5 89.65(5) . . ?
F1 P1 F5 89.36(5) . . ?
F3 P1 F6 179.45(6) . . ?
F2 P1 F6 88.85(5) . . ?
F4 P1 F6 89.75(5) . . ?
F1 P1 F6 89.41(5) . . ?
F5 P1 F6 88.96(5) . . ?
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
C1 N2 1.3393(12) . ?
C1 C2 1.3870(14) . ?
C1 H1 0.95 . ?
C2 C3 1.3834(15) . ?
C2 H2 0.95 . ?
C3 C4 1.3919(14) . ?
C3 H3 0.95 . ?
C4 C5 1.3873(13) . ?
C4 H4 0.95 . ?
C5 N2 1.3679(12) . ?
C5 C6 1.4784(12) . ?
C6 N3 1.3432(12) . ?
C6 C7 1.3838(13) . ?
C7 C8 1.4061(13) . ?
C7 H7 0.95 . ?
C8 C9 1.4047(13) . ?
C8 C16 1.4834(13) . ?
C16 C21' 1.380(8) . ?
C16 C21 1.393(6) . ?
C16 C17 1.411(2) . ?
C16 C17' 1.429(3) . ?
C17 C18 1.388(3) . ?
C17 H17 0.95 . ?
C18 C19 1.390(5) . ?
C18 H18 0.95 . ?
C19 C20 1.375(6) . ?
C19 H19 0.95 . ?
C20 C21 1.398(6) . ?
C20 H20 0.95 . ?
C21 H21 0.95 . ?
C17' C18' 1.390(4) . ?
C17' H17' 0.95 . ?
C18' C19' 1.389(6) . ?
C18' H18' 0.95 . ?
C19' C20' 1.354(9) . ?
C19' H19' 0.95 . ?
C20' C21' 1.388(10) . ?
C20' H20' 0.95 . ?
C21' H21' 0.95 . ?
C9 C10 1.3883(13) . ?
C9 H9 0.95 . ?
C10 N3 1.3420(11) . ?
C10 C11 1.4799(13) . ?
C11 N4 1.3644(12) . ?
C11 C12 1.3849(13) . ?
C12 C13 1.3933(14) . ?
C12 H12 0.95 . ?
C13 C14 1.3830(16) . ?
C13 H13 0.95 . ?
C14 C15 1.3903(15) . ?
C14 H14 0.95 . ?
C15 N4 1.3391(13) . ?
C15 H15 0.95 . ?
C22 N5 1.141(2) . ?
C22 C23 1.458(2) . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
N2 Ru1 2.0881(8) . ?
N3 Ru1 1.9756(8) . ?
N4 Ru1 2.0849(8) . ?
N1 O1 1.1469(12) . ?
N1 Ru1 1.7632(9) . ?
O2 Ru1 1.9499(8) . ?
O2 H2A 0.75(2) . ?
Cl1 Ru1 2.3890(2) . ?
P1 F3 1.5859(9) . ?
P1 F2 1.5930(9) . ?
P1 F4 1.6024(8) . ?
P1 F1 1.6034(8) . ?
P1 F5 1.6062(9) . ?
P1 F6 1.6085(8) . ?
