#------------------------------------------------------------------------------
#$Date: 2021-11-16 04:33:18 +0200 (Tue, 16 Nov 2021) $
#$Revision: 270675 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/39/7243922.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_7243922
loop_
_publ_author_name
'Tomioka, Nozomi'
'Nanbu, Shinkoh'
'Misawa-Suzuki, Tomoyo'
'Nagao, Hirotaka'
_publ_section_title
;
 N--C bond formation between two anilines coordinated to a ruthenium
 center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety
;
_journal_issue                   58
_journal_name_full               'RSC Advances'
_journal_page_first              36644
_journal_page_last               36650
_journal_paper_doi               10.1039/D1RA07736H
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C32 H26 N6 Ru, 2(F6 P)'
_chemical_formula_sum            'C32 H26 F12 N6 P2 Ru'
_chemical_formula_weight         885.60
_chemical_name_common
'N1-phenylcyclohexa-3,5-diene-1,2-diiminebis(2,2'-bipyridine)ruthenium hexafulolophosphate'
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2019-12-02
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-12-16 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.4170(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.31180(10)
_cell_length_b                   18.79730(10)
_cell_length_c                   13.97790(10)
_cell_measurement_reflns_used    18776
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      75.5780
_cell_measurement_theta_min      3.3310
_cell_volume                     3468.37(4)
_computing_cell_refinement       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_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_temperature      298.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -80.00 -42.00   0.50    0.15    --  -42.55 113.00 150.00   76
  2  ω     52.00  78.00   0.50    0.15    --   42.55-113.00  58.00   52
  3  ω   -116.00 -91.00   0.50    0.60    --  -90.25-113.00  58.00   50
  4  ω    -81.00 -42.00   0.50    0.60    --  -90.25 113.00 150.00   78
  5  ω     70.00  98.00   0.50    0.60    --  109.88-113.00  58.00   56
  6  ω    105.00 152.00   0.50    0.60    --  109.88 113.00 150.00   94
  7  ω    -21.00  37.00   0.50    0.15    --  -42.55  19.00-180.00  116
  8  ω    -22.00  36.00   0.50    0.15    --  -42.55  19.00  60.00  116
  9  ω    -22.00  32.00   0.50    0.15    --  -42.55  19.00 -90.00  108
 10  ω    -33.00  32.00   0.50    0.15    --  -42.55  37.00 -60.00  130
 11  ω     95.00 120.00   0.50    0.15    --   42.55 178.00-120.00   50
 12  ω    -41.00 -14.00   0.50    0.60    --  -90.25  45.00-120.00   54
 13  ω    -43.00 -18.00   0.50    0.60    --  -90.25  45.00  60.00   50
 14  ω    -42.00 -15.00   0.50    0.60    --  -90.25  45.00   0.00   54
 15  ω    -43.00 -17.00   0.50    0.60    --  -90.25  45.00 -90.00   52
 16  ω    -41.00 -14.00   0.50    0.60    --  -90.25  45.00 -30.00   54
 17  ω    -43.00 -18.00   0.50    0.60    --  -90.25  45.00 -60.00   50
 18  ω    -43.00 -17.00   0.50    0.60    --  -90.25  45.00  90.00   52
 19  ω     34.00  59.00   0.50    0.60    --  109.88 -45.00 -90.00   50
 20  ω     34.00  59.00   0.50    0.60    --  109.88 -45.00-120.00   50
 21  ω     34.00  59.00   0.50    0.60    --  109.88 -45.00 -60.00   50
 22  ω     46.00  79.00   0.50    0.60    --  109.88 -61.00   0.00   66
 23  ω     38.00  64.00   0.50    0.60    --  109.88 -61.00  90.00   52
 24  ω     35.00  61.00   0.50    0.60    --  109.88 -45.00-150.00   52
 25  ω     35.00  61.00   0.50    0.60    --  109.88 -45.00 -30.00   52
 26  ω     91.00 151.00   0.50    0.60    --  109.88  30.00-120.00  120
 27  ω     37.00 109.00   0.50    0.60    --  109.88 -77.00  90.00  144
 28  ω     39.00  78.00   0.50    0.60    --  109.88 -61.00-150.00   78
 29  ω     34.00  61.00   0.50    0.60    --  109.88 -45.00 120.00   54
 30  ω     40.00 101.00   0.50    0.60    --  109.88 -94.00 -60.00  122
 31  ω     34.00  59.00   0.50    0.60    --  109.88 -45.00 150.00   50
 32  ω     53.00 104.00   0.50    0.60    --  109.88 -94.00  90.00  102
 33  ω     36.00  61.00   0.50    0.60    --  109.88 -45.00  30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0534730000
_diffrn_orient_matrix_UB_12      -0.0199646000
_diffrn_orient_matrix_UB_13      0.0876338000
_diffrn_orient_matrix_UB_21      -0.0321749000
_diffrn_orient_matrix_UB_22      0.0781098000
_diffrn_orient_matrix_UB_23      0.0097059000
_diffrn_orient_matrix_UB_31      -0.0986435000
_diffrn_orient_matrix_UB_32      -0.0146895000
_diffrn_orient_matrix_UB_33      -0.0676570000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25055
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.608
_diffrn_reflns_theta_min         3.348
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.440
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.45a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear blackish black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   1.00000
_exptl_transmission_factor_min   0.93290
_refine_diff_density_max         0.487
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         6959
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0532P)²+1.8550P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.0976
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6425
_reflns_number_total             6959
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra07736h2.cif
_cod_data_source_block           exp_14
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (101 times).

data item '_geom_angle_publ_flag' value 'Y' was changed to 'y' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (6 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (49 times).

data item '_geom_bond_publ_flag' value 'Y' was changed to 'y' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (10 times).

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7243922
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C32H26F12N6P2Ru
_chemical_oxdiff_usercomment     '298 K'
_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.
;
_diffrn_oxdiff_digest_frames
;
012453944d8e9f8c05bbf566d29a4d71e8000410b70
;
_diffrn_oxdiff_digest_hkl
;
019a6e6e2700455525ffb7962a37564e3e8d37
;
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C29(H23), C32(H26), C6(H5), C5(H4), C3(H2), C22(H18), C30(H24), C4(H3),
 C31(H25), C12(H10), C8(H6), C26(H22), C19(H15), C13(H11), C23(H19), C11(H9),
 C21(H17), C14(H12), C24(H20), C25(H21), C16(H14), C15(H13), C10(H8), C20(H16),
 C9(H7)
;
_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 1.154
_oxdiff_exptl_absorpt_empirical_full_min 0.883
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 0.28435(2) 0.49233(2) 0.73592(2) 0.04174(8) Uani 1 1 d . . . . .
P1 P 0.08217(6) 0.77508(5) 0.66178(6) 0.0656(2) Uani 1 1 d . . . . .
P2 P 0.40037(8) 0.36485(6) 0.42292(6) 0.0741(2) Uani 1 1 d . . . . .
N6 N 0.32439(16) 0.59114(11) 0.79407(15) 0.0454(4) Uani 1 1 d . . . . .
N1 N 0.37322(16) 0.44085(11) 0.84526(14) 0.0437(4) Uani 1 1 d . . . . .
N3 N 0.21191(17) 0.52952(13) 0.60416(16) 0.0508(5) Uani 1 1 d . . . . .
N2 N 0.40911(18) 0.47250(13) 0.67757(16) 0.0497(5) Uani 1 1 d . . . . .
N4 N 0.21638(17) 0.40076(12) 0.67650(16) 0.0495(5) Uani 1 1 d . . . . .
F4 F 0.19263(18) 0.74471(13) 0.69017(19) 0.0970(7) Uani 1 1 d . . . . .
N5 N 0.15943(17) 0.51792(12) 0.80721(16) 0.0455(4) Uani 1 1 d . . . . .
F6 F 0.0900(2) 0.75639(16) 0.55228(16) 0.1018(7) Uani 1 1 d . . . . .
F9 F 0.3980(2) 0.40865(17) 0.32593(16) 0.1046(8) Uani 1 1 d . . . . .
C28 C 0.25737(19) 0.62238(13) 0.84549(17) 0.0436(5) Uani 1 1 d . . . . .
F3 F 0.0373(3) 0.69900(18) 0.6724(2) 0.1301(11) Uani 1 1 d . . . . .
F1 F 0.1307(2) 0.85082(13) 0.6459(3) 0.1321(12) Uani 1 1 d . . . . .
C27 C 0.1631(2) 0.58287(13) 0.84919(18) 0.0459(5) Uani 1 1 d . . . . .
C2 C 0.46055(19) 0.41659(14) 0.82305(18) 0.0461(5) Uani 1 1 d . . . . .
C1 C 0.4812(2) 0.43586(14) 0.72681(18) 0.0478(5) Uani 1 1 d . . . . .
C18 C 0.16149(19) 0.40805(16) 0.5885(2) 0.0533(6) Uani 1 1 d . . . . .
C7 C 0.3434(2) 0.42484(15) 0.93799(18) 0.0486(6) Uani 1 1 d . . . . .
C17 C 0.1642(2) 0.47886(17) 0.5458(2) 0.0541(6) Uani 1 1 d . . . . .
F2 F -0.02639(19) 0.8058(2) 0.6301(3) 0.1446(13) Uani 1 1 d . . . . .
F8 F 0.3658(3) 0.4335(2) 0.4749(2) 0.1434(13) Uani 1 1 d . . . . .
C29 C 0.2801(2) 0.68569(15) 0.8938(2) 0.0552(6) Uani 1 1 d . . . . .
H29 H 0.233650 0.706047 0.929861 0.066 Uiso 1 1 calc R . . . .
C32 C 0.4136(2) 0.62392(17) 0.7887(2) 0.0604(7) Uani 1 1 d . . . . .
H32 H 0.459758 0.602987 0.752789 0.072 Uiso 1 1 calc R . . . .
C6 C 0.5742(2) 0.41429(17) 0.6934(2) 0.0577(7) Uani 1 1 d . . . . .
H6 H 0.588524 0.427602 0.632565 0.069 Uiso 1 1 calc R . . . .
C5 C 0.6399(2) 0.37462(19) 0.7515(2) 0.0652(8) Uani 1 1 d . . . . .
H5 H 0.699778 0.359725 0.730104 0.078 Uiso 1 1 calc R . . . .
C3 C 0.5349(2) 0.37505(18) 0.8818(2) 0.0605(7) Uani 1 1 d . . . . .
H3 H 0.524665 0.362226 0.944036 0.073 Uiso 1 1 calc R . . . .
C22 C 0.2180(3) 0.33755(16) 0.7205(2) 0.0626(7) Uani 1 1 d . . . . .
H22 H 0.256813 0.332558 0.780375 0.075 Uiso 1 1 calc R . . . .
F11 F 0.5123(2) 0.3907(3) 0.4480(3) 0.1613(16) Uani 1 1 d . . . . .
C30 C 0.3715(3) 0.71858(16) 0.8884(2) 0.0632(7) Uani 1 1 d . . . . .
H30 H 0.387464 0.761206 0.920605 0.076 Uiso 1 1 calc R . . . .
C4 C 0.6194(2) 0.3548(2) 0.8462(2) 0.0708(9) Uani 1 1 d . . . . .
H4 H 0.666332 0.326853 0.884356 0.085 Uiso 1 1 calc R . . . .
C31 C 0.4384(3) 0.68743(18) 0.8349(3) 0.0673(8) Uani 1 1 d . . . . .
H31 H 0.500306 0.709014 0.829673 0.081 Uiso 1 1 calc R . . . .
F7 F 0.4085(3) 0.3260(2) 0.5232(3) 0.1629(15) Uani 1 1 d . . . . .
C12 C 0.3320(3) 0.35451(18) 0.9662(2) 0.0649(8) Uani 1 1 d . . . . .
H12 H 0.344875 0.317463 0.925372 0.078 Uiso 1 1 calc R . . . .
C8 C 0.3266(3) 0.47915(19) 0.9994(2) 0.0651(8) Uani 1 1 d . . . . .
H8 H 0.335378 0.526152 0.981426 0.078 Uiso 1 1 calc R . . . .
F5 F 0.0763(3) 0.7926(3) 0.7690(2) 0.189(2) Uani 1 1 d . . . . .
C26 C 0.0833(2) 0.60826(18) 0.8940(2) 0.0657(8) Uani 1 1 d . . . . .
H26 H 0.086461 0.653333 0.921671 0.079 Uiso 1 1 calc R . . . .
C19 C 0.1081(2) 0.3507(2) 0.5456(3) 0.0725(9) Uani 1 1 d . . . . .
H19 H 0.071096 0.355632 0.484819 0.087 Uiso 1 1 calc R . . . .
C13 C 0.2197(3) 0.59539(17) 0.5698(2) 0.0666(8) Uani 1 1 d . . . . .
H13 H 0.252140 0.630259 0.609739 0.080 Uiso 1 1 calc R . . . .
C23 C 0.0771(2) 0.47738(17) 0.8127(2) 0.0610(7) Uani 1 1 d . . . . .
H23 H 0.074713 0.432177 0.785429 0.073 Uiso 1 1 calc R . . . .
C11 C 0.3016(3) 0.3400(2) 1.0549(3) 0.0784(10) Uani 1 1 d . . . . .
H11 H 0.293726 0.293107 1.073960 0.094 Uiso 1 1 calc R . . . .
C21 C 0.1649(3) 0.27975(18) 0.6813(3) 0.0714(9) Uani 1 1 d . . . . .
H21 H 0.166494 0.236825 0.714554 0.086 Uiso 1 1 calc R . . . .
C14 C 0.1804(3) 0.6129(2) 0.4757(3) 0.0814(11) Uani 1 1 d . . . . .
H14 H 0.186845 0.659019 0.453058 0.098 Uiso 1 1 calc R . . . .
C24 C -0.0034(3) 0.4999(2) 0.8567(3) 0.0761(10) Uani 1 1 d . . . . .
H24 H -0.059209 0.470475 0.858942 0.091 Uiso 1 1 calc R . . . .
C25 C -0.0008(3) 0.5661(2) 0.8971(3) 0.0807(10) Uani 1 1 d . . . . .
H25 H -0.055225 0.582545 0.926482 0.097 Uiso 1 1 calc R . . . .
F12 F 0.2882(3) 0.3429(3) 0.3987(3) 0.191(2) Uani 1 1 d . . . . .
C16 C 0.1234(3) 0.4951(2) 0.4516(3) 0.0768(10) Uani 1 1 d . . . . .
H16 H 0.090082 0.460300 0.412157 0.092 Uiso 1 1 calc R . . . .
C15 C 0.1328(3) 0.5626(3) 0.4174(3) 0.0864(12) Uani 1 1 d . . . . .
H15 H 0.106484 0.573812 0.354351 0.104 Uiso 1 1 calc R . . . .
C10 C 0.2826(3) 0.3955(3) 1.1158(2) 0.0809(11) Uani 1 1 d . . . . .
H10 H 0.260523 0.385968 1.174983 0.097 Uiso 1 1 calc R . . . .
C20 C 0.1097(3) 0.2866(2) 0.5925(3) 0.0803(10) Uani 1 1 d . . . . .
H20 H 0.073523 0.248062 0.564054 0.096 Uiso 1 1 calc R . . . .
F10 F 0.4312(5) 0.2986(2) 0.3699(4) 0.211(2) Uani 1 1 d . . . . .
C9 C 0.2965(3) 0.4637(3) 1.0887(2) 0.0835(11) Uani 1 1 d . . . . .
H9 H 0.285688 0.500665 1.130399 0.100 Uiso 1 1 calc R . . . .
H2 H 0.425(3) 0.4811(19) 0.616(3) 0.065(10) 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 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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 3.2960 '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
N6 Ru1 N3 96.44(9) . . n
N6 Ru1 N5 77.75(8) . . y
N1 Ru1 N6 92.08(8) . . n
N1 Ru1 N3 166.55(8) . . n
N1 Ru1 N4 94.99(8) . . n
N1 Ru1 N5 99.81(8) . . n
N3 Ru1 N5 92.18(9) . . n
N2 Ru1 N6 98.26(9) . . n
N2 Ru1 N1 77.53(9) . . y
N2 Ru1 N3 90.92(9) . . n
N2 Ru1 N4 91.41(9) . . n
N2 Ru1 N5 175.20(9) . . n
N4 Ru1 N6 169.07(8) . . n
N4 Ru1 N3 78.22(9) . . y
N4 Ru1 N5 92.81(9) . . n
F4 P1 F6 89.25(15) . . n
F4 P1 F1 88.65(14) . . n
F6 P1 F1 89.15(19) . . n
F3 P1 F4 89.99(17) . . n
F3 P1 F6 87.86(17) . . n
F3 P1 F1 176.7(2) . . n
F3 P1 F2 90.8(2) . . n
F2 P1 F4 178.1(2) . . n
F2 P1 F6 89.01(18) . . n
F2 P1 F1 90.45(19) . . n
F5 P1 F4 89.7(2) . . n
F5 P1 F6 179.0(2) . . n
F5 P1 F3 92.0(2) . . n
F5 P1 F1 90.9(3) . . n
F5 P1 F2 92.0(2) . . n
F8 P2 F9 89.65(17) . . n
F11 P2 F9 86.74(17) . . n
F11 P2 F8 88.2(3) . . n
F11 P2 F7 89.5(2) . . n
F7 P2 F9 175.5(2) . . n
F7 P2 F8 87.7(2) . . n
F12 P2 F9 92.3(2) . . n
F12 P2 F8 89.4(3) . . n
F12 P2 F11 177.4(3) . . n
F12 P2 F7 91.4(3) . . n
F10 P2 F9 89.2(2) . . n
F10 P2 F8 178.2(3) . . n
F10 P2 F11 93.1(3) . . n
F10 P2 F7 93.5(3) . . n
F10 P2 F12 89.3(3) . . n
C28 N6 Ru1 116.42(17) . . n
C32 N6 Ru1 124.92(19) . . n
C32 N6 C28 118.5(2) . . n
C2 N1 Ru1 115.34(16) . . y
C2 N1 C7 119.6(2) . . n
C7 N1 Ru1 124.87(16) . . n
C17 N3 Ru1 114.99(19) . . n
C13 N3 Ru1 125.4(2) . . n
C13 N3 C17 119.1(3) . . n
C1 N2 Ru1 118.82(18) . . y
C18 N4 Ru1 115.94(19) . . n
C22 N4 Ru1 125.09(19) . . n
C22 N4 C18 118.8(2) . . n
C27 N5 Ru1 115.19(17) . . n
C23 N5 Ru1 126.70(19) . . n
C23 N5 C27 118.1(2) . . n
N6 C28 C27 115.2(2) . . n
N6 C28 C29 121.1(2) . . n
C29 C28 C27 123.7(2) . . n
N5 C27 C28 115.2(2) . . n
N5 C27 C26 121.3(3) . . n
C26 C27 C28 123.5(2) . . n
N1 C2 C1 114.1(2) . . y
N1 C2 C3 128.1(2) . . n
C3 C2 C1 117.8(2) . . n
N2 C1 C2 114.0(2) . . n
N2 C1 C6 125.8(2) . . n
C6 C1 C2 120.3(2) . . n
N4 C18 C17 115.1(2) . . n
N4 C18 C19 120.1(3) . . n
C19 C18 C17 124.8(3) . . n
C12 C7 N1 120.5(3) . . n
C8 C7 N1 119.7(3) . . n
C8 C7 C12 119.8(3) . . n
N3 C17 C18 115.4(2) . . n
N3 C17 C16 120.6(3) . . n
C16 C17 C18 124.0(3) . . n
C30 C29 C28 120.0(3) . . n
N6 C32 C31 122.0(3) . . n
C5 C6 C1 118.9(3) . . n
C6 C5 C4 121.1(3) . . n
C4 C3 C2 119.5(3) . . n
N4 C22 C21 122.9(3) . . n
C31 C30 C29 118.7(3) . . n
C3 C4 C5 122.4(3) . . n
C30 C31 C32 119.6(3) . . n
C11 C12 C7 119.8(3) . . n
C7 C8 C9 119.7(3) . . n
C25 C26 C27 119.4(3) . . n
C20 C19 C18 120.1(3) . . n
N3 C13 C14 121.5(3) . . n
N5 C23 C24 122.7(3) . . n
C12 C11 C10 119.9(4) . . n
C20 C21 C22 118.6(4) . . n
C15 C14 C13 119.6(4) . . n
C25 C24 C23 119.2(3) . . n
C24 C25 C26 119.2(3) . . n
C15 C16 C17 119.5(4) . . n
C14 C15 C16 119.8(3) . . n
C9 C10 C11 119.8(3) . . n
C21 C20 C19 119.4(3) . . n
C10 C9 C8 121.0(4) . . n
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 N6 2.069(2) . y
Ru1 N1 2.051(2) . y
Ru1 N3 2.086(2) . y
Ru1 N2 1.978(2) . y
Ru1 N4 2.068(2) . y
Ru1 N5 2.102(2) . y
P1 F4 1.579(2) . n
P1 F6 1.587(2) . n
P1 F3 1.564(3) . n
P1 F1 1.591(3) . n
P1 F2 1.566(3) . n
P1 F5 1.546(3) . n
P2 F9 1.583(3) . n
P2 F8 1.578(3) . n
P2 F11 1.564(3) . n
P2 F7 1.571(3) . n
P2 F12 1.544(3) . n
P2 F10 1.532(4) . n
N6 C28 1.350(3) . n
N6 C32 1.348(4) . n
N1 C2 1.322(3) . y
N1 C7 1.436(3) . y
N3 C17 1.357(4) . n
N3 C13 1.337(4) . n
N2 C1 1.303(3) . y
N4 C18 1.354(4) . n
N4 C22 1.337(4) . n
N5 C27 1.353(3) . n
N5 C23 1.345(4) . n
C28 C27 1.465(4) . n
C28 C29 1.382(4) . n
C27 C26 1.386(4) . n
C2 C1 1.453(4) . y
C2 C3 1.433(4) . n
C1 C6 1.436(4) . n
C18 C17 1.461(4) . n
C18 C19 1.385(4) . n
C7 C12 1.393(4) . n
C7 C8 1.371(4) . n
C17 C16 1.393(5) . n
C29 C30 1.375(4) . n
C32 C31 1.377(5) . n
C6 C5 1.341(4) . n
C5 C4 1.435(5) . n
C3 C4 1.342(4) . n
C22 C21 1.371(4) . n
C30 C31 1.366(5) . n
C12 C11 1.381(5) . n
C8 C9 1.390(5) . n
C26 C25 1.376(5) . n
C19 C20 1.371(6) . n
C13 C14 1.391(5) . n
C23 C24 1.370(5) . n
C11 C10 1.391(6) . n
C21 C20 1.364(5) . n
C14 C15 1.353(6) . n
C24 C25 1.366(5) . n
C16 C15 1.366(6) . n
C10 C9 1.356(6) . n
