#------------------------------------------------------------------------------
#$Date: 2025-07-06 18:33:37 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/86/7718624.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_7718624
loop_
_publ_author_name
'Mudrak, Vladyslav'
'Lacroix, Pascal G.'
'Labra-Vázquez, Pablo'
'Tassé, Marine'
'Mallet-Ladeira, Sonia'
'Malfant, Isabelle'
_publ_section_title
;
 Photo-release of acetonitrile in ruthenium(II) complexes with various
 substituted terpyridine ligands.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9021
_journal_page_last               9031
_journal_paper_doi               10.1039/d5dt00734h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         '2(C29 H27 N4 O3 Ru), 2(F6 P), C4 H10 O'
_chemical_formula_sum            'C62 H64 F12 N8 O7 P2 Ru2'
_chemical_formula_weight         1525.29
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2025-03-24 deposited with the CCDC.	2025-05-02 downloaded from the CCDC.
;
_cell_angle_alpha                82.448(2)
_cell_angle_beta                 76.204(2)
_cell_angle_gamma                75.467(2)
_cell_formula_units_Z            1
_cell_length_a                   11.0282(3)
_cell_length_b                   11.3656(3)
_cell_length_c                   13.5530(3)
_cell_measurement_reflns_used    11735
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.4190
_cell_measurement_theta_min      3.3320
_cell_volume                     1592.33(7)
_computing_cell_refinement       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.120a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20459
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.596
_diffrn_reflns_theta_min         3.368
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.141
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79097
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.120a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_description       plate
_exptl_crystal_F_000             774
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.106
_refine_diff_density_min         -1.267
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     449
_refine_ls_number_reflns         6267
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.052
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0778P)²+1.4293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1253
_refine_ls_wR_factor_ref         0.1281
_reflns_Friedel_coverage         0
_reflns_number_gt                5675
_reflns_number_total             6267
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00734h2.cif
_cod_data_source_block           VM-PLV-26plate
_cod_depositor_comments
'Adding full bibliography for 7718624--7718627.cif.'
_cod_database_code               7718624
_shelx_shelxl_version_number     2018/3
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.0484(4) 0.2906(3) 0.7624(3) 0.0274(7) Uani 1 1 d . . . . .
H1 H 0.006792 0.339271 0.818062 0.033 Uiso 1 1 calc R U . . .
C2 C -0.0164(4) 0.2144(3) 0.7353(3) 0.0303(8) Uani 1 1 d . . . . .
H2 H -0.100378 0.210519 0.771943 0.036 Uiso 1 1 calc R U . . .
C3 C 0.0435(4) 0.1440(3) 0.6538(3) 0.0277(7) Uani 1 1 d . . . . .
H3 H 0.000813 0.091378 0.633343 0.033 Uiso 1 1 calc R U . . .
C4 C 0.1668(3) 0.1513(3) 0.6024(3) 0.0253(7) Uani 1 1 d . . . . .
H4 H 0.209255 0.103736 0.546186 0.03 Uiso 1 1 calc R U . . .
C5 C 0.2272(3) 0.2281(3) 0.6336(3) 0.0222(7) Uani 1 1 d . . . . .
C6 C 0.3580(3) 0.2413(3) 0.5847(3) 0.0213(7) Uani 1 1 d . . . . .
C7 C 0.4408(3) 0.1796(3) 0.5050(3) 0.0227(7) Uani 1 1 d . . . . .
H7 H 0.416343 0.118152 0.478133 0.027 Uiso 1 1 calc R U . . .
C8 C 0.5610(3) 0.2066(3) 0.4632(3) 0.0223(7) Uani 1 1 d . . . . .
C9 C 0.5924(3) 0.2980(3) 0.5063(3) 0.0213(7) Uani 1 1 d . . . . .
H9 H 0.671822 0.320494 0.479102 0.026 Uiso 1 1 calc R U . . .
C10 C 0.5083(3) 0.3554(3) 0.5881(3) 0.0229(7) Uani 1 1 d . . . . .
C11 C 0.5274(3) 0.4534(3) 0.6406(3) 0.0220(7) Uani 1 1 d . . . . .
C12 C 0.6401(4) 0.4932(3) 0.6196(3) 0.0253(7) Uani 1 1 d . . . . .
H12 H 0.710625 0.458653 0.568416 0.03 Uiso 1 1 calc R U . . .
C13 C 0.6485(4) 0.5849(3) 0.6748(3) 0.0269(7) Uani 1 1 d . . . . .
H13 H 0.725636 0.612436 0.66245 0.032 Uiso 1 1 calc R U . . .
C14 C 0.5441(4) 0.6352(3) 0.7474(3) 0.0270(7) Uani 1 1 d . . . . .
H14 H 0.548472 0.697954 0.785439 0.032 Uiso 1 1 calc R U . . .
C15 C 0.4332(4) 0.5937(3) 0.7641(3) 0.0236(7) Uani 1 1 d . . . . .
H15 H 0.361426 0.629381 0.813918 0.028 Uiso 1 1 calc R U . . .
C16 C 0.6469(3) 0.1495(3) 0.3721(3) 0.0223(7) Uani 1 1 d . . . . .
C17 C 0.6022(3) 0.0876(3) 0.3109(3) 0.0249(7) Uani 1 1 d . . . . .
H17 H 0.518149 0.073675 0.333033 0.03 Uiso 1 1 calc R U . . .
C18 C 0.6760(4) 0.0459(3) 0.2190(3) 0.0270(7) Uani 1 1 d . . . . .
H18 H 0.642503 0.004462 0.178948 0.032 Uiso 1 1 calc R U . . .
C19 C 0.7997(4) 0.0649(3) 0.1856(3) 0.0254(7) Uani 1 1 d . . . . .
C20 C 0.8484(4) 0.1234(3) 0.2474(3) 0.0264(7) Uani 1 1 d . . . . .
H20 H 0.933452 0.134919 0.226237 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7738(3) 0.1640(3) 0.3381(3) 0.0242(7) Uani 1 1 d . . . . .
H21 H 0.808513 0.202945 0.379121 0.029 Uiso 1 1 calc R U . . .
C22 C 0.8316(4) -0.0267(5) 0.0309(4) 0.0429(11) Uani 1 1 d . . . . .
H22A H 0.811287 -0.1029 0.065609 0.064 Uiso 1 1 calc R U . . .
H22B H 0.896668 -0.044503 -0.031821 0.064 Uiso 1 1 calc R U . . .
H22C H 0.753852 0.027811 0.014129 0.064 Uiso 1 1 calc R U . . .
C23 C 0.0779(3) 0.6008(3) 0.6442(3) 0.0242(7) Uani 1 1 d . . . . .
C24 C 0.0052(4) 0.6310(3) 0.7406(3) 0.0269(7) Uani 1 1 d . . . . .
H24 H -0.078856 0.680002 0.742989 0.032 Uiso 1 1 calc R U . . .
C25 C 0.0423(4) 0.5971(3) 0.8349(3) 0.0270(7) Uani 1 1 d . . . . .
C26 C 0.0251(4) 0.6594(4) 0.5522(3) 0.0312(8) Uani 1 1 d . . . . .
H26A H 0.083262 0.70723 0.509249 0.047 Uiso 1 1 calc R U . . .
H26B H -0.059463 0.71303 0.574344 0.047 Uiso 1 1 calc R U . . .
H26C H 0.017086 0.595963 0.513251 0.047 Uiso 1 1 calc R U . . .
C27 C -0.0398(4) 0.6593(4) 0.9282(3) 0.0357(9) Uani 1 1 d . . . . .
H27A H -0.070847 0.598414 0.979571 0.054 Uiso 1 1 calc R U . . .
H27B H -0.113071 0.719404 0.909287 0.054 Uiso 1 1 calc R U . . .
H27C H 0.011327 0.700475 0.956063 0.054 Uiso 1 1 calc R U . . .
C28 C 0.3888(4) 0.2483(3) 0.9070(3) 0.0274(8) Uani 1 1 d . . . . .
C29 C 0.4441(5) 0.1738(4) 0.9886(4) 0.0471(11) Uani 1 1 d . . . . .
H29A H 0.462801 0.226575 1.031928 0.071 Uiso 1 1 calc R U . . .
H29B H 0.523658 0.117198 0.958983 0.071 Uiso 1 1 calc R U . . .
H29C H 0.38314 0.127484 1.029528 0.071 Uiso 1 1 calc R U . . .
C30 C 0.7216(7) 0.4578(9) 0.9420(7) 0.044(2) Uani 0.5 1 d D U P A -1
H30A H 0.727788 0.526516 0.890621 0.065 Uiso 0.5 1 calc R U P A -1
H30B H 0.785654 0.385153 0.917163 0.065 Uiso 0.5 1 calc R U P A -1
H30C H 0.737481 0.477559 1.005356 0.065 Uiso 0.5 1 calc R U P A -1
C31 C 0.5902(8) 0.4336(6) 0.9616(7) 0.0373(17) Uani 0.5 1 d D U P A -1
H31A H 0.574071 0.411587 0.898367 0.045 Uiso 0.5 1 calc R U P A -1
H31B H 0.582617 0.365064 1.014189 0.045 Uiso 0.5 1 calc R U P A -1
O4 O 0.4993(4) 0.5419(5) 0.9957(5) 0.0360(12) Uani 0.5 1 d D U P A -1
C32 C 0.3703(7) 0.5269(8) 1.0224(8) 0.0435(19) Uani 0.5 1 d D U P A -1
H32A H 0.360861 0.464135 1.07994 0.052 Uiso 0.5 1 calc R U P A -1
H32B H 0.347804 0.500484 0.963712 0.052 Uiso 0.5 1 calc R U P A -1
C33 C 0.2839(9) 0.6470(11) 1.0523(9) 0.065(3) Uani 0.5 1 d D U P A -1
H33A H 0.293005 0.663372 1.119021 0.098 Uiso 0.5 1 calc R U P A -1
H33B H 0.194735 0.644508 1.055843 0.098 Uiso 0.5 1 calc R U P A -1
H33C H 0.307288 0.711796 1.001425 0.098 Uiso 0.5 1 calc R U P A -1
N1 N 0.1668(3) 0.2986(2) 0.7137(2) 0.0216(6) Uani 1 1 d . . . . .
N2 N 0.3937(3) 0.3268(2) 0.6259(2) 0.0194(5) Uani 1 1 d . . . . .
N3 N 0.4227(3) 0.5042(2) 0.7126(2) 0.0220(6) Uani 1 1 d . . . . .
N4 N 0.3460(3) 0.3075(3) 0.8443(2) 0.0242(6) Uani 1 1 d . . . . .
O1 O 0.1901(2) 0.5304(2) 0.62403(18) 0.0226(5) Uani 1 1 d . . . . .
O2 O 0.1421(2) 0.5177(2) 0.84916(19) 0.0241(5) Uani 1 1 d . . . . .
O3 O 0.8794(3) 0.0304(3) 0.0960(2) 0.0337(6) Uani 1 1 d . . . . .
F1 F 0.6738(3) 1.0070(3) 0.6218(2) 0.0495(7) Uani 1 1 d . . . . .
F2 F 0.7117(3) 0.8428(2) 0.7280(3) 0.0617(9) Uani 1 1 d . . . . .
F3 F 0.7889(4) 0.9446(4) 0.8213(3) 0.0839(12) Uani 1 1 d . . . . .
F4 F 0.7480(3) 1.1147(3) 0.7125(3) 0.0689(10) Uani 1 1 d . . . . .
F5 F 0.8706(2) 0.9380(2) 0.6552(3) 0.0515(7) Uani 1 1 d . . . . .
F6 F 0.5893(3) 1.0166(3) 0.7906(3) 0.0632(9) Uani 1 1 d . . . . .
P1 P 0.72926(9) 0.98049(9) 0.72176(8) 0.0306(2) Uani 1 1 d . . . . .
Ru1 Ru 0.27218(2) 0.41753(2) 0.73416(2) 0.01970(11) 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 0.0181 0.0091 '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 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.296 '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
N1 C1 C2 122.8(3) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C1 C2 C3 118.8(4) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C2 C3 C4 119.1(3) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
N1 C5 C4 121.1(3) . . ?
N1 C5 C6 115.3(3) . . ?
C4 C5 C6 123.5(3) . . ?
N2 C6 C7 120.1(3) . . ?
N2 C6 C5 112.5(3) . . ?
C7 C6 C5 127.4(3) . . ?
C6 C7 C8 120.7(3) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C7 C8 C9 117.2(3) . . ?
C7 C8 C16 121.8(3) . . ?
C9 C8 C16 120.9(3) . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
N2 C10 C9 120.5(3) . . ?
N2 C10 C11 112.9(3) . . ?
C9 C10 C11 126.6(3) . . ?
N3 C11 C12 121.6(3) . . ?
N3 C11 C10 114.7(3) . . ?
C12 C11 C10 123.6(3) . . ?
C11 C12 C13 118.9(3) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 H12 120.5 . . ?
C14 C13 C12 119.5(3) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
N3 C15 C14 122.5(3) . . ?
N3 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C17 C16 C21 116.9(3) . . ?
C17 C16 C8 121.2(3) . . ?
C21 C16 C8 121.7(3) . . ?
C18 C17 C16 122.3(3) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 119.6(3) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
O3 C19 C18 124.7(3) . . ?
O3 C19 C20 116.2(3) . . ?
C18 C19 C20 119.2(3) . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C16 121.7(3) . . ?
C20 C21 H21 119.2 . . ?
C16 C21 H21 119.2 . . ?
O3 C22 H22A 109.5 . . ?
O3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C23 C24 126.7(3) . . ?
O1 C23 C26 114.8(3) . . ?
C24 C23 C26 118.5(3) . . ?
C23 C24 C25 127.5(3) . . ?
C23 C24 H24 116.3 . . ?
C25 C24 H24 116.3 . . ?
O2 C25 C24 125.3(3) . . ?
O2 C25 C27 115.6(3) . . ?
C24 C25 C27 119.1(3) . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N4 C28 C29 179.1(4) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O4 C31 C30 108.0(5) . . ?
O4 C31 H31A 110.1 . . ?
C30 C31 H31A 110.1 . . ?
O4 C31 H31B 110.1 . . ?
C30 C31 H31B 110.1 . . ?
H31A C31 H31B 108.4 . . ?
C31 O4 C32 112.8(6) . . ?
O4 C32 C33 108.0(5) . . ?
O4 C32 H32A 110.1 . . ?
C33 C32 H32A 110.1 . . ?
O4 C32 H32B 110.1 . . ?
C33 C32 H32B 110.1 . . ?
H32A C32 H32B 108.4 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C1 N1 C5 118.7(3) . . ?
C1 N1 Ru1 128.4(2) . . ?
C5 N1 Ru1 112.7(2) . . ?
C10 N2 C6 121.0(3) . . ?
C10 N2 Ru1 119.6(2) . . ?
C6 N2 Ru1 119.2(2) . . ?
C15 N3 C11 118.1(3) . . ?
C15 N3 Ru1 128.9(2) . . ?
C11 N3 Ru1 112.7(2) . . ?
C28 N4 Ru1 178.0(3) . . ?
C23 O1 Ru1 122.7(2) . . ?
C25 O2 Ru1 123.8(2) . . ?
C19 O3 C22 117.4(3) . . ?
F4 P1 F1 90.94(19) . . ?
F4 P1 F6 92.44(18) . . ?
F1 P1 F6 91.15(18) . . ?
F4 P1 F5 89.88(16) . . ?
F1 P1 F5 90.15(17) . . ?
F6 P1 F5 177.3(2) . . ?
F4 P1 F3 92.3(2) . . ?
F1 P1 F3 176.3(2) . . ?
F6 P1 F3 90.6(2) . . ?
F5 P1 F3 88.0(2) . . ?
F4 P1 F2 178.5(2) . . ?
F1 P1 F2 87.97(17) . . ?
F6 P1 F2 88.68(18) . . ?
F5 P1 F2 89.03(16) . . ?
F3 P1 F2 88.8(2) . . ?
N2 Ru1 N4 93.08(12) . . ?
N2 Ru1 O1 88.37(11) . . ?
N4 Ru1 O1 178.00(10) . . ?
N2 Ru1 N1 79.93(11) . . ?
N4 Ru1 N1 93.68(11) . . ?
O1 Ru1 N1 85.22(10) . . ?
N2 Ru1 N3 79.81(11) . . ?
N4 Ru1 N3 88.09(12) . . ?
O1 Ru1 N3 93.52(10) . . ?
N1 Ru1 N3 159.72(12) . . ?
N2 Ru1 O2 179.04(10) . . ?
N4 Ru1 O2 87.59(11) . . ?
O1 Ru1 O2 90.97(10) . . ?
N1 Ru1 O2 100.73(11) . . ?
N3 Ru1 O2 99.53(10) . . ?
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 N1 1.335(5) . ?
C1 C2 1.383(5) . ?
C1 H1 0.95 . ?
C2 C3 1.384(6) . ?
C2 H2 0.95 . ?
C3 C4 1.390(5) . ?
C3 H3 0.95 . ?
C4 C5 1.382(5) . ?
C4 H4 0.95 . ?
C5 N1 1.371(5) . ?
C5 C6 1.473(5) . ?
C6 N2 1.361(4) . ?
C6 C7 1.378(5) . ?
C7 C8 1.405(5) . ?
C7 H7 0.95 . ?
C8 C9 1.406(5) . ?
C8 C16 1.480(5) . ?
C9 C10 1.381(5) . ?
C9 H9 0.95 . ?
C10 N2 1.349(5) . ?
C10 C11 1.478(5) . ?
C11 N3 1.377(5) . ?
C11 C12 1.382(5) . ?
C12 C13 1.392(5) . ?
C12 H12 0.95 . ?
C13 C14 1.378(6) . ?
C13 H13 0.95 . ?
C14 C15 1.378(5) . ?
C14 H14 0.95 . ?
C15 N3 1.349(4) . ?
C15 H15 0.95 . ?
C16 C17 1.396(5) . ?
C16 C21 1.409(5) . ?
C17 C18 1.384(5) . ?
C17 H17 0.95 . ?
C18 C19 1.393(5) . ?
C18 H18 0.95 . ?
C19 O3 1.359(4) . ?
C19 C20 1.405(5) . ?
C20 C21 1.369(5) . ?
C20 H20 0.95 . ?
C21 H21 0.95 . ?
C22 O3 1.421(5) . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 O1 1.282(4) . ?
C23 C24 1.395(5) . ?
C23 C26 1.507(5) . ?
C24 C25 1.410(5) . ?
C24 H24 0.95 . ?
C25 O2 1.273(5) . ?
C25 C27 1.512(5) . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
C28 N4 1.132(5) . ?
C28 C29 1.459(6) . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 C31 1.498(9) . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C31 O4 1.429(7) . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
O4 C32 1.429(7) . ?
C32 C33 1.498(9) . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
N1 Ru1 2.072(3) . ?
N2 Ru1 1.943(3) . ?
N3 Ru1 2.079(3) . ?
N4 Ru1 2.008(3) . ?
O1 Ru1 2.062(2) . ?
O2 Ru1 2.089(2) . ?
F1 P1 1.579(3) . ?
F2 P1 1.613(3) . ?
F3 P1 1.601(3) . ?
F4 P1 1.575(3) . ?
F5 P1 1.594(3) . ?
F6 P1 1.587(3) . ?
