#------------------------------------------------------------------------------
#$Date: 2024-12-06 17:26:39 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296312 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/38/7133884.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_7133884
loop_
_publ_author_name
'Fayafrou, Oussama'
'Lognon, Elise'
'Duhayon, Carine'
'Sortais, Jean-Baptiste'
'Monari, Antonio'
'Baslé, Olivier'
'Canac, Yves'
_publ_section_title
;
 Photoluminescent ruthenium(II) bipyridyl complexes containing phosphonium
 ylide ligands.
;
_journal_issue                   92
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              13602
_journal_page_last               13605
_journal_paper_doi               10.1039/d4cc05050a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C28 H30 Cl N P Ru, F6 P '
_chemical_formula_sum            'C28 H30 Cl F6 N P2 Ru'
_chemical_formula_weight         693.01
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_audit_update_record
;
2024-09-06 deposited with the CCDC.	2024-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.768(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9068(1)
_cell_length_b                   15.3075(1)
_cell_length_c                   17.2234(1)
_cell_measurement_reflns_used    94253
_cell_measurement_temperature    100
_cell_measurement_theta_max      76.66
_cell_measurement_theta_min      3.83
_cell_volume                     2872.19(4)
_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    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_av_unetI/netI     0.055
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            125616
_diffrn_reflns_theta_full        72.326
_diffrn_reflns_theta_max         71.884
_diffrn_reflns_theta_min         3.865
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.852
_exptl_absorpt_correction_T_max  0.66
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.64
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9727
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5630
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.0008853
_refine_ls_shift/su_mean         0.0000320
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.04P)² + 3.07P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0674
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0674
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              19
_reflns_limit_k_min              0
_reflns_limit_l_max              21
_reflns_limit_l_min              0
_reflns_number_gt                5532
_reflns_number_total             5956
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.58
_oxford_diffrn_Wilson_scale      0.21
_oxford_refine_ls_scale          2.746(15)
_cod_data_source_file            d4cc05050a2.cif
_cod_data_source_block           Oussama071122-RuP1Cymene
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7133882--7133886.cif.
;
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               7133884
_oxford_refine_reflns_threshold_expression I>-3.0\s(I)
_refine_ls_r_factor_ref          0.0244
_reflns_number_all               5630
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ru1 Ru 0.393059(12) 0.330047(9) 0.328968(8) 0.0173 1.0000 Uani . . . . . .
C1 C 0.25092(17) 0.37694(13) 0.39941(11) 0.0202 1.0000 Uani . . . . . .
C2 C 0.17151(17) 0.41348(12) 0.24461(11) 0.0198 1.0000 Uani . . . . . .
C3 C 0.10216(19) 0.45543(13) 0.18661(12) 0.0248 1.0000 Uani . . . . . .
C4 C 0.1564(2) 0.47444(13) 0.11703(12) 0.0289 1.0000 Uani . . . . . .
C5 C 0.2781(2) 0.45335(14) 0.10949(12) 0.0293 1.0000 Uani . . . . . .
C6 C 0.3431(2) 0.41242(13) 0.17041(12) 0.0259 1.0000 Uani . . . . . .
C7 C 0.00452(17) 0.46224(12) 0.36338(11) 0.0209 1.0000 Uani . . . . . .
C8 C -0.11694(19) 0.45433(15) 0.33565(14) 0.0304 1.0000 Uani . . . . . .
C9 C -0.2014(2) 0.51889(15) 0.35182(15) 0.0346 1.0000 Uani . . . . . .
C10 C -0.1649(2) 0.59119(14) 0.39501(12) 0.0287 1.0000 Uani . . . . . .
C11 C -0.0448(2) 0.59870(14) 0.42402(12) 0.0279 1.0000 Uani . . . . . .
C12 C 0.04024(18) 0.53417(13) 0.40857(11) 0.0229 1.0000 Uani . . . . . .
C13 C 0.04418(17) 0.27818(12) 0.32706(11) 0.0194 1.0000 Uani . . . . . .
C14 C -0.0147(2) 0.25509(14) 0.25640(12) 0.0287 1.0000 Uani . . . . . .
C15 C -0.0716(2) 0.17426(14) 0.24881(14) 0.0351 1.0000 Uani . . . . . .
C16 C -0.0693(2) 0.11631(14) 0.31094(13) 0.0308 1.0000 Uani . . . . . .
C17 C -0.0120(2) 0.13953(13) 0.38127(12) 0.0262 1.0000 Uani . . . . . .
C18 C 0.04464(18) 0.22041(13) 0.38996(11) 0.0224 1.0000 Uani . . . . . .
C19 C 0.2937(2) 0.17006(14) 0.21190(14) 0.0329 1.0000 Uani . . . . . .
C20 C 0.38476(19) 0.20120(13) 0.27406(12) 0.0238 1.0000 Uani . . . . . .
C21 C 0.35818(18) 0.19322(12) 0.35346(12) 0.0217 1.0000 Uani . . . . . .
C22 C 0.44031(18) 0.22672(12) 0.41286(11) 0.0218 1.0000 Uani . . . . . .
C23 C 0.54918(18) 0.26965(13) 0.39440(12) 0.0226 1.0000 Uani . . . . . .
C24 C 0.57865(18) 0.27386(14) 0.31363(12) 0.0250 1.0000 Uani . . . . . .
C25 C 0.4994(2) 0.23959(13) 0.25541(12) 0.0261 1.0000 Uani . . . . . .
C26 C 0.6344(2) 0.31159(16) 0.45540(13) 0.0306 1.0000 Uani . . . . . .
C27 C 0.5722(3) 0.33897(19) 0.52838(16) 0.0446 1.0000 Uani . . . . . .
C28 C 0.7422(3) 0.2510(2) 0.47415(19) 0.0607 1.0000 Uani . . . . . .
N1 N 0.29038(15) 0.39078(10) 0.23692(9) 0.0204 1.0000 Uani . . . . . .
P1 P 0.11742(4) 0.38249(3) 0.33853(3) 0.0174 1.0000 Uani . . . . . .
P2 P 0.22386(5) 0.11590(3) 0.59053(3) 0.0240 1.0000 Uani . . . . . .
F1 F 0.24143(12) 0.12110(9) 0.49916(7) 0.0326 1.0000 Uani . . . . . .
F2 F 0.12703(19) 0.19440(11) 0.58257(9) 0.0616 1.0000 Uani . . . . . .
F3 F 0.11393(16) 0.04941(11) 0.57422(9) 0.0539 1.0000 Uani . . . . . .
F4 F 0.20317(19) 0.11101(12) 0.68117(8) 0.0599 1.0000 Uani . . . . . .
F5 F 0.31646(19) 0.03747(14) 0.59816(11) 0.0741 1.0000 Uani . . . . . .
F6 F 0.3311(2) 0.18418(16) 0.60502(11) 0.0858 1.0000 Uani . . . . . .
Cl1 Cl 0.47585(4) 0.47452(3) 0.34541(3) 0.0287 1.0000 Uani . . . . . .
H11 H 0.2734 0.4353 0.4181 0.0240 1.0000 Uiso R . . . . .
H12 H 0.2383 0.3402 0.4438 0.0248 1.0000 Uiso R . . . . .
H31 H 0.0199 0.4707 0.1947 0.0300 1.0000 Uiso R . . . . .
H41 H 0.1093 0.5013 0.0761 0.0338 1.0000 Uiso R . . . . .
H51 H 0.3169 0.4667 0.0626 0.0358 1.0000 Uiso R . . . . .
H61 H 0.4265 0.3990 0.1666 0.0312 1.0000 Uiso R . . . . .
H81 H -0.1398 0.4050 0.3065 0.0360 1.0000 Uiso R . . . . .
H91 H -0.2834 0.5119 0.3337 0.0417 1.0000 Uiso R . . . . .
H101 H -0.2221 0.6354 0.4039 0.0342 1.0000 Uiso R . . . . .
H111 H -0.0182 0.6478 0.4539 0.0334 1.0000 Uiso R . . . . .
H121 H 0.1236 0.5397 0.4294 0.0266 1.0000 Uiso R . . . . .
H141 H -0.0153 0.2937 0.2126 0.0341 1.0000 Uiso R . . . . .
H151 H -0.1112 0.1582 0.2016 0.0412 1.0000 Uiso R . . . . .
H161 H -0.1061 0.0615 0.3053 0.0374 1.0000 Uiso R . . . . .
H171 H -0.0105 0.1015 0.4240 0.0313 1.0000 Uiso R . . . . .
H181 H 0.0837 0.2358 0.4371 0.0278 1.0000 Uiso R . . . . .
H191 H 0.2117 0.1717 0.2309 0.0484 1.0000 Uiso R . . . . .
H192 H 0.2958 0.2060 0.1660 0.0489 1.0000 Uiso R . . . . .
H193 H 0.3117 0.1116 0.1980 0.0489 1.0000 Uiso R . . . . .
H211 H 0.2781 0.1709 0.3675 0.0263 1.0000 Uiso R . . . . .
H221 H 0.4159 0.2246 0.4668 0.0261 1.0000 Uiso R . . . . .
H241 H 0.6485 0.3084 0.2981 0.0287 1.0000 Uiso R . . . . .
H251 H 0.5174 0.2487 0.2008 0.0316 1.0000 Uiso R . . . . .
H261 H 0.6666 0.3653 0.4304 0.0355 1.0000 Uiso R . . . . .
H271 H 0.5432 0.2871 0.5549 0.0681 1.0000 Uiso R . . . . .
H272 H 0.6296 0.3710 0.5613 0.0676 1.0000 Uiso R . . . . .
H273 H 0.5035 0.3764 0.5150 0.0675 1.0000 Uiso R . . . . .
H281 H 0.7126 0.1980 0.4969 0.0911 1.0000 Uiso R . . . . .
H282 H 0.7992 0.2793 0.5104 0.0913 1.0000 Uiso R . . . . .
H283 H 0.7831 0.2387 0.4271 0.0916 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
I -0.3257 6.8362 20.1472 4.3470 18.9949 0.3814 7.5138 27.7660 2.2735 66.8776
4.0712 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ru 0.0552 3.2960 19.2674 0.8085 12.9182 8.4347 4.8634 24.7997 1.5676 94.2928
5.3787 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.2955 0.4335 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645 1.1149
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0727 0.0534 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476 0.2776
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.3639 0.7018 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 . Ru1 . C20 . 122.14(8) yes
C1 . Ru1 . C21 . 94.29(7) yes
C20 . Ru1 . C21 . 37.92(7) yes
C1 . Ru1 . C22 . 91.26(7) yes
C20 . Ru1 . C22 . 68.72(7) yes
C21 . Ru1 . C22 . 38.07(8) yes
C1 . Ru1 . C23 . 114.51(7) yes
C20 . Ru1 . C23 . 81.80(8) yes
C21 . Ru1 . C23 . 68.53(7) yes
C22 . Ru1 . C23 . 37.41(7) yes
C1 . Ru1 . C24 . 152.26(7) yes
C20 . Ru1 . C24 . 67.62(8) yes
C21 . Ru1 . C24 . 79.60(7) yes
C22 . Ru1 . C24 . 67.20(7) yes
C23 . Ru1 . C24 . 38.08(7) yes
C1 . Ru1 . C25 . 159.82(8) yes
C20 . Ru1 . C25 . 37.75(8) yes
C21 . Ru1 . C25 . 67.31(7) yes
C22 . Ru1 . C25 . 79.31(7) yes
C23 . Ru1 . C25 . 67.69(7) yes
C1 . Ru1 . N1 . 84.58(7) yes
C20 . Ru1 . N1 . 93.61(7) yes
C21 . Ru1 . N1 . 118.58(7) yes
C22 . Ru1 . N1 . 156.03(7) yes
C23 . Ru1 . N1 . 159.86(7) yes
C1 . Ru1 . Cl1 . 84.42(5) yes
C20 . Ru1 . Cl1 . 152.78(6) yes
C21 . Ru1 . Cl1 . 158.94(6) yes
C22 . Ru1 . Cl1 . 120.87(6) yes
C23 . Ru1 . Cl1 . 92.83(5) yes
C24 . Ru1 . C25 . 36.38(8) yes
C24 . Ru1 . N1 . 122.21(7) yes
C25 . Ru1 . N1 . 96.78(7) yes
C24 . Ru1 . Cl1 . 91.77(6) yes
C25 . Ru1 . Cl1 . 115.75(6) yes
N1 . Ru1 . Cl1 . 82.29(4) yes
Ru1 . C1 . P1 . 106.29(9) yes
Ru1 . C1 . H11 . 108.5 no
P1 . C1 . H11 . 109.9 no
Ru1 . C1 . H12 . 112.9 no
P1 . C1 . H12 . 110.8 no
H11 . C1 . H12 . 108.5 no
C3 . C2 . N1 . 122.77(18) yes
C3 . C2 . P1 . 125.23(15) yes
N1 . C2 . P1 . 112.00(13) yes
C2 . C3 . C4 . 118.61(19) yes
C2 . C3 . H31 . 120.0 no
C4 . C3 . H31 . 121.4 no
C3 . C4 . C5 . 118.90(19) yes
C3 . C4 . H41 . 119.6 no
C5 . C4 . H41 . 121.5 no
C4 . C5 . C6 . 119.58(19) yes
C4 . C5 . H51 . 119.9 no
C6 . C5 . H51 . 120.5 no
C5 . C6 . N1 . 122.1(2) yes
C5 . C6 . H61 . 120.5 no
N1 . C6 . H61 . 117.5 no
C8 . C7 . C12 . 119.76(18) yes
C8 . C7 . P1 . 120.68(16) yes
C12 . C7 . P1 . 119.53(15) yes
C7 . C8 . C9 . 120.0(2) yes
C7 . C8 . H81 . 118.7 no
C9 . C8 . H81 . 121.4 no
C8 . C9 . C10 . 120.1(2) yes
C8 . C9 . H91 . 118.8 no
C10 . C9 . H91 . 121.1 no
C9 . C10 . C11 . 120.27(19) yes
C9 . C10 . H101 . 119.3 no
C11 . C10 . H101 . 120.4 no
C10 . C11 . C12 . 120.0(2) yes
C10 . C11 . H111 . 121.4 no
C12 . C11 . H111 . 118.5 no
C7 . C12 . C11 . 119.85(19) yes
C7 . C12 . H121 . 120.7 no
C11 . C12 . H121 . 119.5 no
C14 . C13 . C18 . 120.02(18) yes
C14 . C13 . P1 . 120.41(15) yes
C18 . C13 . P1 . 119.56(15) yes
C13 . C14 . C15 . 119.6(2) yes
C13 . C14 . H141 . 121.1 no
C15 . C14 . H141 . 119.4 no
C14 . C15 . C16 . 120.4(2) yes
C14 . C15 . H151 . 120.1 no
C16 . C15 . H151 . 119.5 no
C15 . C16 . C17 . 120.1(2) yes
C15 . C16 . H161 . 120.1 no
C17 . C16 . H161 . 119.8 no
C16 . C17 . C18 . 120.24(19) yes
C16 . C17 . H171 . 121.2 no
C18 . C17 . H171 . 118.6 no
C13 . C18 . C17 . 119.71(19) yes
C13 . C18 . H181 . 120.1 no
C17 . C18 . H181 . 120.2 no
C20 . C19 . H191 . 109.9 no
C20 . C19 . H192 . 111.2 no
H191 . C19 . H192 . 108.7 no
C20 . C19 . H193 . 109.9 no
H191 . C19 . H193 . 108.4 no
H192 . C19 . H193 . 108.5 no
C19 . C20 . Ru1 . 127.32(14) yes
C19 . C20 . C21 . 120.09(19) yes
Ru1 . C20 . C21 . 70.52(11) yes
C19 . C20 . C25 . 121.66(19) yes
Ru1 . C20 . C25 . 73.06(11) yes
C21 . C20 . C25 . 118.25(18) yes
Ru1 . C21 . C20 . 71.56(11) yes
Ru1 . C21 . C22 . 71.47(11) yes
C20 . C21 . C22 . 120.80(18) yes
Ru1 . C21 . H211 . 123.5 no
C20 . C21 . H211 . 119.6 no
C22 . C21 . H211 . 119.1 no
Ru1 . C22 . C21 . 70.46(11) yes
Ru1 . C22 . C23 . 71.79(11) yes
C21 . C22 . C23 . 120.99(18) yes
Ru1 . C22 . H221 . 125.8 no
C21 . C22 . H221 . 118.7 no
C23 . C22 . H221 . 120.1 no
Ru1 . C23 . C22 . 70.80(11) yes
Ru1 . C23 . C24 . 71.97(11) yes
C22 . C23 . C24 . 117.91(18) yes
Ru1 . C23 . C26 . 127.76(14) yes
C22 . C23 . C26 . 122.59(18) yes
C24 . C23 . C26 . 119.50(18) yes
Ru1 . C24 . C23 . 69.95(10) yes
Ru1 . C24 . C25 . 72.26(11) yes
C23 . C24 . C25 . 121.13(18) yes
Ru1 . C24 . H241 . 123.4 no
C23 . C24 . H241 . 120.0 no
C25 . C24 . H241 . 118.2 no
Ru1 . C25 . C20 . 69.20(11) yes
Ru1 . C25 . C24 . 71.35(11) yes
C20 . C25 . C24 . 120.71(18) yes
Ru1 . C25 . H251 . 126.1 no
C20 . C25 . H251 . 119.4 no
C24 . C25 . H251 . 119.5 no
C23 . C26 . C27 . 114.10(19) yes
C23 . C26 . C28 . 109.4(2) yes
C27 . C26 . C28 . 111.4(2) yes
C23 . C26 . H261 . 105.5 no
C27 . C26 . H261 . 108.1 no
C28 . C26 . H261 . 108.0 no
C26 . C27 . H271 . 109.4 no
C26 . C27 . H272 . 109.0 no
H271 . C27 . H272 . 110.8 no
C26 . C27 . H273 . 109.9 no
H271 . C27 . H273 . 109.3 no
H272 . C27 . H273 . 108.4 no
C26 . C28 . H281 . 109.3 no
C26 . C28 . H282 . 109.4 no
H281 . C28 . H282 . 109.5 no
C26 . C28 . H283 . 109.0 no
H281 . C28 . H283 . 110.8 no
H282 . C28 . H283 . 108.8 no
Ru1 . N1 . C2 . 120.98(13) yes
Ru1 . N1 . C6 . 120.91(14) yes
C2 . N1 . C6 . 118.02(17) yes
C2 . P1 . C7 . 106.90(9) yes
C2 . P1 . C13 . 107.31(9) yes
C7 . P1 . C13 . 108.90(9) yes
C2 . P1 . C1 . 104.46(9) yes
C7 . P1 . C1 . 116.62(9) yes
C13 . P1 . C1 . 112.04(9) yes
F1 . P2 . F2 . 89.33(8) yes
F1 . P2 . F3 . 89.03(8) yes
F2 . P2 . F3 . 88.66(11) yes
F1 . P2 . F4 . 178.73(9) yes
F2 . P2 . F4 . 89.72(9) yes
F3 . P2 . F4 . 90.10(10) yes
F1 . P2 . F5 . 90.76(9) yes
F2 . P2 . F5 . 178.76(13) yes
F3 . P2 . F5 . 90.10(12) yes
F4 . P2 . F5 . 90.17(10) yes
F1 . P2 . F6 . 89.97(9) yes
F2 . P2 . F6 . 89.86(14) yes
F3 . P2 . F6 . 178.22(12) yes
F4 . P2 . F6 . 90.88(11) yes
F5 . P2 . F6 . 91.38(14) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 . C1 . 2.1383(18) yes
Ru1 . C20 . 2.1874(19) yes
Ru1 . C21 . 2.1738(19) yes
Ru1 . C22 . 2.1870(19) yes
Ru1 . C23 . 2.1998(19) yes
Ru1 . C24 . 2.2268(19) yes
Ru1 . C25 . 2.2384(19) yes
Ru1 . N1 . 2.1120(16) yes
Ru1 . Cl1 . 2.4004(5) yes
C1 . P1 . 1.7548(19) yes
C1 . H11 . 0.977 no
C1 . H12 . 0.964 no
C2 . C3 . 1.382(3) yes
C2 . N1 . 1.355(3) yes
C2 . P1 . 1.8114(19) yes
C3 . C4 . 1.393(3) yes
C3 . H31 . 0.944 no
C4 . C5 . 1.379(3) yes
C4 . H41 . 0.947 no
C5 . C6 . 1.387(3) yes
C5 . H51 . 0.952 no
C6 . N1 . 1.348(3) yes
C6 . H61 . 0.938 no
C7 . C8 . 1.392(3) yes
C7 . C12 . 1.393(3) yes
C7 . P1 . 1.8002(19) yes
C8 . C9 . 1.389(3) yes
C8 . H81 . 0.934 no
C9 . C10 . 1.381(3) yes
C9 . H91 . 0.939 no
C10 . C11 . 1.384(3) yes
C10 . H101 . 0.938 no
C11 . C12 . 1.390(3) yes
C11 . H111 . 0.948 no
C12 . H121 . 0.965 no
C13 . C14 . 1.394(3) yes
C13 . C18 . 1.398(3) yes
C13 . P1 . 1.7921(19) yes
C14 . C15 . 1.388(3) yes
C14 . H141 . 0.958 no
C15 . C16 . 1.389(3) yes
C15 . H151 . 0.935 no
C16 . C17 . 1.383(3) yes
C16 . H161 . 0.932 no
C17 . C18 . 1.388(3) yes
C17 . H171 . 0.938 no
C18 . H181 . 0.929 no
C19 . C20 . 1.503(3) yes
C19 . H191 . 0.967 no
C19 . H192 . 0.964 no
C19 . H193 . 0.950 no
C20 . C21 . 1.417(3) yes
C20 . C25 . 1.432(3) yes
C21 . C22 . 1.422(3) yes
C21 . H211 . 0.979 no
C22 . C23 . 1.407(3) yes
C22 . H221 . 0.978 no
C23 . C24 . 1.444(3) yes
C23 . C26 . 1.512(3) yes
C24 . C25 . 1.394(3) yes
C24 . H241 . 0.975 no
C25 . H251 . 0.980 no
C26 . C27 . 1.516(3) yes
C26 . C28 . 1.519(3) yes
C26 . H261 . 1.000 no
C27 . H271 . 0.976 no
C27 . H272 . 0.960 no
C27 . H273 . 0.961 no
C28 . H281 . 0.963 no
C28 . H282 . 0.962 no
C28 . H283 . 0.962 no
P2 . F1 . 1.5966(12) yes
P2 . F2 . 1.6013(16) yes
P2 . F3 . 1.5873(15) yes
P2 . F4 . 1.5899(14) yes
P2 . F5 . 1.5703(17) yes
P2 . F6 . 1.5797(17) yes
