#------------------------------------------------------------------------------
#$Date: 2022-10-12 02:05:25 +0300 (Wed, 12 Oct 2022) $
#$Revision: 278537 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/14/7711463.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_7711463
loop_
_publ_author_name
'Navale, Govinda R.'
'Singh, Sain'
'Agrawal, Sonia'
'Ghosh, Chandrachur'
'Roychoudhury, Angshuman'
'Roy, Partha'
'Sarkar, Dhiman'
'Ghosh, Kaushik'
_publ_section_title
;
 DNA binding, antitubercular, antibacterial and anticancer studies of
 newly designed piano-stool ruthenium(II) complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02577A
_journal_year                    2022
_chemical_formula_moiety         'C32 H31 Cl N3 Ru, F6 P'
_chemical_formula_sum            'C32 H31 Cl F6 N3 P Ru'
_chemical_formula_weight         739.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-08-26
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-08-26 deposited with the CCDC.	2022-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.756(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6841(3)
_cell_length_b                   14.4742(3)
_cell_length_c                   16.9097(4)
_cell_measurement_reflns_used    15395
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      32.8570
_cell_measurement_theta_min      2.7920
_cell_volume                     3068.31(12)
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_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)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00 118.20   0.30    3.00    --   29.89  54.00 150.00  624
  2  ω    -69.00 118.20   0.30    3.00    --   29.89  54.00  60.00  624
  3  ω    -69.00  17.10   0.30    3.00    --   29.89  54.00 -90.00  287
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0550488000
_diffrn_orient_matrix_UB_12      0.0109722000
_diffrn_orient_matrix_UB_13      -0.0036392000
_diffrn_orient_matrix_UB_21      0.0122083000
_diffrn_orient_matrix_UB_22      0.0475510000
_diffrn_orient_matrix_UB_23      -0.0032336000
_diffrn_orient_matrix_UB_31      -0.0048922000
_diffrn_orient_matrix_UB_32      -0.0045625000
_diffrn_orient_matrix_UB_33      -0.0421435000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            35122
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.742
_diffrn_reflns_theta_min         2.590
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.715
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52703
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.971
_refine_diff_density_min         -0.876
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         10758
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0403P)²+3.5734P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0960
_refine_ls_wR_factor_ref         0.1041
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9288
_reflns_number_total             10758
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02577a2.cif
_cod_data_source_block           ru_pcymn_2_100k_2
_cod_database_code               7711463
_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.
;
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_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:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C18(H18), C3(H3), C2(H2), C16(H16), C6(H6), C19(H19), C14(H14),
 C11(H11), C12(H12), C13(H13), C21(H21), C26(H26), C24(H24), C22(H22), C28(H28),
  C23(H23), C32(H32), C30(H30), C29(H29), C31(H31)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C10(H10A,H10B,H10C), C9(H9A,H9B,H9C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.682
_oxdiff_exptl_absorpt_empirical_full_min 0.608
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'
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 0.27193(2) 0.63695(2) 0.52230(2) 0.01655(5) Uani 1 1 d . . . . .
Cl1 Cl 0.37476(4) 0.60446(4) 0.41789(3) 0.02445(9) Uani 1 1 d . . . . .
P1 P 0.17943(4) 0.50792(4) 0.84560(3) 0.02136(10) Uani 1 1 d . . . . .
F6 F 0.16935(12) 0.61645(9) 0.86419(9) 0.0340(3) Uani 1 1 d . . . . .
F3 F 0.19116(12) 0.39993(9) 0.82674(8) 0.0317(3) Uani 1 1 d . . . . .
F4 F 0.10117(13) 0.52182(11) 0.76302(8) 0.0376(3) Uani 1 1 d . . . . .
F2 F 0.07887(12) 0.48615(10) 0.88876(9) 0.0355(3) Uani 1 1 d . . . . .
F1 F 0.25755(13) 0.49429(10) 0.92822(9) 0.0371(3) Uani 1 1 d . . . . .
F5 F 0.27979(12) 0.52958(10) 0.80053(10) 0.0371(3) Uani 1 1 d . . . . .
N3 N 0.37975(13) 0.74362(11) 0.54894(9) 0.0184(3) Uani 1 1 d . . . . .
N1 N 0.39465(13) 0.57705(11) 0.60588(10) 0.0190(3) Uani 1 1 d . . . . .
N2 N 0.46816(14) 0.64238(11) 0.64257(11) 0.0225(3) Uani 1 1 d . . . . .
C5 C 0.13456(15) 0.53859(13) 0.51736(12) 0.0203(3) Uani 1 1 d . . . . .
H5 H 0.1312 0.4744 0.5183 0.024 Uiso 1 1 calc R . . . .
C20 C 0.20567(15) 0.26989(13) 0.53410(12) 0.0201(3) Uani 1 1 d . . . . .
C15 C 0.45980(15) 0.73000(13) 0.60971(12) 0.0202(3) Uani 1 1 d . . . . .
C18 C 0.33437(17) 0.39022(14) 0.51784(12) 0.0237(4) Uani 1 1 d . . . . .
H18 H 0.3765 0.4213 0.4861 0.028 Uiso 1 1 calc R . . . .
C3 C 0.12825(15) 0.68402(14) 0.44454(11) 0.0210(3) Uani 1 1 d . . . . .
H3 H 0.1238 0.7162 0.3966 0.025 Uiso 1 1 calc R . . . .
C2 C 0.13898(15) 0.73292(14) 0.51755(12) 0.0218(3) Uani 1 1 d . . . . .
H2 H 0.1392 0.7972 0.5166 0.026 Uiso 1 1 calc R . . . .
C7 C 0.15863(17) 0.73603(15) 0.67228(13) 0.0255(4) Uani 1 1 d . . . . .
H7 H 0.2007 0.6967 0.7125 0.031 Uiso 1 1 calc R . . . .
C16 C 0.40308(16) 0.49381(13) 0.63379(12) 0.0222(3) Uani 1 1 d . . . . .
H16 H 0.4543 0.4816 0.6780 0.027 Uiso 1 1 calc R . . . .
C1 C 0.14945(15) 0.68665(14) 0.59257(12) 0.0210(3) Uani 1 1 d . . . . .
C4 C 0.12419(15) 0.58533(14) 0.44382(11) 0.0208(3) Uani 1 1 d . . . . .
C6 C 0.15020(15) 0.58883(14) 0.59043(12) 0.0212(3) Uani 1 1 d . . . . .
H6 H 0.1613 0.5564 0.6385 0.025 Uiso 1 1 calc R . . . .
C19 C 0.27139(17) 0.31786(14) 0.48704(12) 0.0234(4) Uani 1 1 d . . . . .
H19 H 0.2718 0.2999 0.4343 0.028 Uiso 1 1 calc R . . . .
C14 C 0.53184(17) 0.80054(14) 0.63809(13) 0.0246(4) Uani 1 1 d . . . . .
H14 H 0.5875 0.7896 0.6795 0.029 Uiso 1 1 calc R . . . .
C11 C 0.37062(16) 0.82734(13) 0.51294(12) 0.0217(3) Uani 1 1 d . . . . .
H11 H 0.3179 0.8359 0.4689 0.026 Uiso 1 1 calc R . . . .
C25 C 0.20722(15) 0.29678(13) 0.61510(11) 0.0195(3) Uani 1 1 d . . . . .
C17 C 0.33481(15) 0.41737(13) 0.59847(12) 0.0203(3) Uani 1 1 d . . . . .
C12 C 0.43625(17) 0.90013(14) 0.53897(13) 0.0250(4) Uani 1 1 d . . . . .
H12 H 0.4264 0.9576 0.5143 0.030 Uiso 1 1 calc R . . . .
C13 C 0.51783(18) 0.88633(15) 0.60296(13) 0.0260(4) Uani 1 1 d . . . . .
H13 H 0.5627 0.9349 0.6219 0.031 Uiso 1 1 calc R . . . .
C21 C 0.14155(16) 0.19334(14) 0.50439(13) 0.0240(4) Uani 1 1 d . . . . .
H21 H 0.1394 0.1753 0.4514 0.029 Uiso 1 1 calc R . . . .
C26 C 0.27437(15) 0.37025(13) 0.64634(12) 0.0195(3) Uani 1 1 d . . . . .
H26 H 0.2778 0.3869 0.6998 0.023 Uiso 1 1 calc R . . . .
C27 C 0.52546(17) 0.62861(14) 0.72156(12) 0.0230(4) Uani 1 1 d . . . . .
C24 C 0.14360(17) 0.24755(14) 0.66297(13) 0.0245(4) Uani 1 1 d . . . . .
H24 H 0.1429 0.2656 0.7157 0.029 Uiso 1 1 calc R . . . .
C22 C 0.08278(17) 0.14555(15) 0.55256(14) 0.0269(4) Uani 1 1 d . . . . .
H22 H 0.0427 0.0946 0.5325 0.032 Uiso 1 1 calc R . . . .
C8 C 0.04674(19) 0.74509(18) 0.69495(14) 0.0320(5) Uani 1 1 d . . . . .
H8A H 0.0038 0.7838 0.6567 0.048 Uiso 1 1 calc GR . . . .
H8B H 0.0516 0.7720 0.7473 0.048 Uiso 1 1 calc GR . . . .
H8C H 0.0146 0.6851 0.6951 0.048 Uiso 1 1 calc GR . . . .
C10 C 0.1136(2) 0.53337(17) 0.36686(13) 0.0309(4) Uani 1 1 d . . . . .
H10A H 0.1631 0.5576 0.3345 0.046 Uiso 1 1 calc GR . . . .
H10B H 0.0422 0.5399 0.3389 0.046 Uiso 1 1 calc GR . . . .
H10C H 0.1286 0.4692 0.3776 0.046 Uiso 1 1 calc GR . . . .
C28 C 0.6178(2) 0.57702(16) 0.73231(17) 0.0364(5) Uani 1 1 d . . . . .
H28 H 0.6439 0.5512 0.6888 0.044 Uiso 1 1 calc R . . . .
C23 C 0.08312(17) 0.17355(15) 0.63230(14) 0.0272(4) Uani 1 1 d . . . . .
H23 H 0.0421 0.1417 0.6644 0.033 Uiso 1 1 calc R . . . .
C32 C 0.4866(2) 0.6701(2) 0.78550(15) 0.0370(5) Uani 1 1 d . . . . .
H32 H 0.4238 0.7043 0.7772 0.044 Uiso 1 1 calc R . . . .
C9 C 0.2129(2) 0.83032(19) 0.67481(17) 0.0406(6) Uani 1 1 d . . . . .
H9A H 0.2806 0.8244 0.6564 0.061 Uiso 1 1 calc GR . . . .
H9B H 0.2237 0.8532 0.7287 0.061 Uiso 1 1 calc GR . . . .
H9C H 0.1687 0.8726 0.6409 0.061 Uiso 1 1 calc GR . . . .
C30 C 0.6342(3) 0.6060(2) 0.87355(18) 0.0610(11) Uani 1 1 d . . . . .
H30 H 0.6707 0.5981 0.9251 0.073 Uiso 1 1 calc R . . . .
C29 C 0.6717(3) 0.56440(18) 0.8103(2) 0.0571(10) Uani 1 1 d . . . . .
H29 H 0.7327 0.5279 0.8192 0.068 Uiso 1 1 calc R . . . .
C31 C 0.5431(3) 0.6593(3) 0.86159(16) 0.0547(9) Uani 1 1 d . . . . .
H31 H 0.5196 0.6882 0.9048 0.066 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 '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_
_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
N3 Ru1 Cl1 83.74(5) . . ?
N3 Ru1 N1 76.47(6) . . ?
N3 Ru1 C5 165.36(7) . . ?
N3 Ru1 C3 111.20(7) . . ?
N3 Ru1 C2 90.83(7) . . ?
N3 Ru1 C1 97.78(7) . . ?
N3 Ru1 C4 147.14(7) . . ?
N3 Ru1 C6 128.53(7) . . ?
N1 Ru1 Cl1 89.09(5) . . ?
N1 Ru1 C5 104.62(7) . . ?
N1 Ru1 C3 170.83(7) . . ?
N1 Ru1 C2 140.44(7) . . ?
N1 Ru1 C1 106.18(7) . . ?
N1 Ru1 C4 135.81(7) . . ?
N1 Ru1 C6 91.39(7) . . ?
C5 Ru1 Cl1 110.80(5) . . ?
C5 Ru1 C4 36.41(7) . . ?
C3 Ru1 Cl1 96.63(5) . . ?
C3 Ru1 C5 66.65(7) . . ?
C3 Ru1 C1 68.47(7) . . ?
C3 Ru1 C4 37.52(7) . . ?
C2 Ru1 Cl1 127.13(6) . . ?
C2 Ru1 C5 79.08(8) . . ?
C2 Ru1 C3 37.74(7) . . ?
C2 Ru1 C1 37.79(7) . . ?
C2 Ru1 C4 67.64(7) . . ?
C1 Ru1 Cl1 164.61(5) . . ?
C1 Ru1 C5 67.76(7) . . ?
C1 Ru1 C4 80.51(7) . . ?
C4 Ru1 Cl1 89.90(5) . . ?
C6 Ru1 Cl1 146.80(6) . . ?
C6 Ru1 C5 37.49(7) . . ?
C6 Ru1 C3 79.90(7) . . ?
C6 Ru1 C2 67.40(7) . . ?
C6 Ru1 C1 37.62(8) . . ?
C6 Ru1 C4 67.18(7) . . ?
F3 P1 F6 179.19(9) . . ?
F3 P1 F5 89.53(8) . . ?
F4 P1 F6 89.46(8) . . ?
F4 P1 F3 90.74(8) . . ?
F4 P1 F5 89.58(9) . . ?
F2 P1 F6 90.61(8) . . ?
F2 P1 F3 90.18(8) . . ?
F2 P1 F4 89.49(8) . . ?
F2 P1 F1 90.46(9) . . ?
F2 P1 F5 179.02(9) . . ?
F1 P1 F6 90.40(8) . . ?
F1 P1 F3 89.40(8) . . ?
F1 P1 F4 179.85(10) . . ?
F1 P1 F5 90.47(9) . . ?
F5 P1 F6 89.69(8) . . ?
C15 N3 Ru1 117.05(12) . . ?
C15 N3 C11 118.56(16) . . ?
C11 N3 Ru1 124.23(13) . . ?
N2 N1 Ru1 112.92(12) . . ?
C16 N1 Ru1 129.47(13) . . ?
C16 N1 N2 117.00(16) . . ?
N1 N2 C27 121.74(16) . . ?
C15 N2 N1 115.79(15) . . ?
C15 N2 C27 119.94(16) . . ?
C4 C5 Ru1 72.21(11) . . ?
C4 C5 C6 120.34(18) . . ?
C6 C5 Ru1 68.77(10) . . ?
C19 C20 C25 118.92(17) . . ?
C19 C20 C21 122.49(18) . . ?
C21 C20 C25 118.54(18) . . ?
N3 C15 N2 116.39(16) . . ?
N3 C15 C14 122.05(18) . . ?
N2 C15 C14 121.56(18) . . ?
C19 C18 C17 119.59(19) . . ?
C2 C3 Ru1 70.72(11) . . ?
C2 C3 C4 120.47(17) . . ?
C4 C3 Ru1 73.71(11) . . ?
C3 C2 Ru1 71.54(11) . . ?
C3 C2 C1 121.82(18) . . ?
C1 C2 Ru1 72.54(11) . . ?
C1 C7 C8 108.34(18) . . ?
C1 C7 C9 114.85(19) . . ?
C9 C7 C8 110.4(2) . . ?
N1 C16 C17 122.75(18) . . ?
C2 C1 Ru1 69.66(11) . . ?
C2 C1 C7 123.74(18) . . ?
C7 C1 Ru1 131.73(14) . . ?
C6 C1 Ru1 69.74(11) . . ?
C6 C1 C2 116.61(17) . . ?
C6 C1 C7 119.64(18) . . ?
C5 C4 Ru1 71.38(11) . . ?
C5 C4 C3 118.40(17) . . ?
C5 C4 C10 120.91(19) . . ?
C3 C4 Ru1 68.77(10) . . ?
C3 C4 C10 120.64(18) . . ?
C10 C4 Ru1 129.63(15) . . ?
C5 C6 Ru1 73.74(11) . . ?
C1 C6 Ru1 72.64(11) . . ?
C1 C6 C5 122.21(18) . . ?
C18 C19 C20 121.26(18) . . ?
C13 C14 C15 118.27(19) . . ?
N3 C11 C12 122.46(19) . . ?
C26 C25 C20 119.04(18) . . ?
C26 C25 C24 121.81(18) . . ?
C24 C25 C20 119.12(17) . . ?
C18 C17 C16 120.90(18) . . ?
C26 C17 C18 120.44(18) . . ?
C26 C17 C16 118.60(18) . . ?
C11 C12 C13 118.78(19) . . ?
C14 C13 C12 119.77(19) . . ?
C22 C21 C20 121.12(19) . . ?
C17 C26 C25 120.69(18) . . ?
C28 C27 N2 119.9(2) . . ?
C28 C27 C32 121.7(2) . . ?
C32 C27 N2 118.3(2) . . ?
C23 C24 C25 120.67(19) . . ?
C21 C22 C23 120.06(19) . . ?
C27 C28 C29 118.5(3) . . ?
C24 C23 C22 120.5(2) . . ?
C31 C32 C27 118.7(3) . . ?
C29 C30 C31 120.9(2) . . ?
C30 C29 C28 119.9(3) . . ?
C30 C31 C32 120.2(3) . . ?
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 Cl1 2.3959(5) . ?
Ru1 N3 2.0663(16) . ?
Ru1 N1 2.1220(16) . ?
Ru1 C5 2.2419(18) . ?
Ru1 C3 2.1875(19) . ?
Ru1 C2 2.1769(19) . ?
Ru1 C1 2.2146(19) . ?
Ru1 C4 2.2525(18) . ?
Ru1 C6 2.1768(19) . ?
P1 F6 1.6110(14) . ?
P1 F3 1.6067(14) . ?
P1 F4 1.5980(14) . ?
P1 F2 1.5946(15) . ?
P1 F1 1.5972(14) . ?
P1 F5 1.6108(15) . ?
N3 C15 1.345(2) . ?
N3 C11 1.353(2) . ?
N1 N2 1.404(2) . ?
N1 C16 1.292(2) . ?
N2 C15 1.382(2) . ?
N2 C27 1.434(3) . ?
C5 C4 1.404(3) . ?
C5 C6 1.421(3) . ?
C20 C19 1.419(3) . ?
C20 C25 1.421(3) . ?
C20 C21 1.420(3) . ?
C15 C14 1.405(3) . ?
C18 C19 1.371(3) . ?
C18 C17 1.418(3) . ?
C3 C2 1.412(3) . ?
C3 C4 1.429(3) . ?
C2 C1 1.423(3) . ?
C7 C1 1.514(3) . ?
C7 C8 1.531(3) . ?
C7 C9 1.526(3) . ?
C16 C17 1.474(3) . ?
C1 C6 1.416(3) . ?
C4 C10 1.491(3) . ?
C14 C13 1.376(3) . ?
C11 C12 1.373(3) . ?
C25 C26 1.414(3) . ?
C25 C24 1.419(3) . ?
C17 C26 1.377(3) . ?
C12 C13 1.393(3) . ?
C21 C22 1.372(3) . ?
C27 C28 1.378(3) . ?
C27 C32 1.391(3) . ?
C24 C23 1.372(3) . ?
C22 C23 1.407(3) . ?
C28 C29 1.401(4) . ?
C32 C31 1.383(4) . ?
C30 C29 1.374(6) . ?
C30 C31 1.378(6) . ?
