#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:29:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179330 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/27/4322768.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_4322768
loop_
_publ_author_name
'Vincent J. Catalano'
'Ryan A. Heck'
'Chad E. Immoos'
'Anna Öhman'
'Michael G. Hill'
_publ_section_title
;
 Steric Modulation of Electrocatalytic Benzyl Alcohol Oxidation by
 [Ru(trpy)(R2dppi)(O)]2+ Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2150
_journal_page_last               2157
_journal_paper_doi               10.1021/ic971027v
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C35 H30 Cl F6 N10 O4 P Ru'
_chemical_formula_weight         936.18
_chemical_name_common            4a
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                109.252(9)
_cell_angle_beta                 102.766(8)
_cell_angle_gamma                90.847(9)
_cell_formula_units_Z            2
_cell_length_a                   12.3760(10)
_cell_length_b                   12.8351(15)
_cell_length_c                   13.0290(15)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      12.46
_cell_measurement_theta_min      5.09
_cell_volume                     1896.9(4)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXL-93 (Sheldrick, 1993)'
_diffrn_ambient_temperature      193(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5645
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        3.12
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.610
_exptl_absorpt_correction_T_max  0.4355
_exptl_absorpt_correction_T_min  0.4081
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       0.0006(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.056
_refine_ls_goodness_of_fit_obs   1.079
_refine_ls_matrix_type           full
_refine_ls_number_parameters     530
_refine_ls_number_reflns         4837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_restrained_S_obs      1.079
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_obs          0.0397
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0350P)²+4.7802P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0979
_refine_ls_wR_factor_obs         0.0863
_reflns_number_observed          4074
_reflns_number_total             4844
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic971027v_3.cif
_cod_data_source_block           vjc114
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+4.7802P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+4.7802P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1896.9(3)
_cod_database_code               4322768
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru1 Ru 1.26315(3) 0.25975(3) 0.48652(3) 0.01996(14) Uani 1 d . .
Cl1 Cl 0.77220(11) 0.67964(10) 0.91486(10) 0.0390(3) Uani 1 d . .
P1 P 1.16070(13) 0.69565(14) 0.77045(14) 0.0536(4) Uani 1 d . .
F1 F 1.2807(12) 0.6856(13) 0.8137(12) 0.136(2) Uani 0.466(9) d P .
F2 F 1.1364(15) 0.5846(15) 0.7994(14) 0.136(2) Uani 0.368(8) d P .
F3 F 1.2001(57) 0.7580(47) 0.6958(60) 0.136(2) Uani 0.123(14) d P .
F4 F 1.1745(6) 0.5874(5) 0.6842(7) 0.173(3) Uani 1 d . .
F5 F 1.0817(5) 0.7134(6) 0.6768(5) 0.156(2) Uani 1 d . .
F6 F 1.1337(4) 0.7876(5) 0.8655(4) 0.119(2) Uani 1 d . .
O1 O 0.7262(53) 0.7741(57) 0.9023(44) 0.079(8) Uani 0.50 d P .
O2 O 0.7194(4) 0.6125(4) 0.9610(3) 0.0672(13) Uani 1 d . .
O3 O 0.8822(3) 0.7160(4) 0.9820(3) 0.0664(12) Uani 1 d . .
O4 O 0.7727(4) 0.6148(3) 0.8024(3) 0.0566(11) Uani 1 d . .
N1 N 1.1492(3) 0.2532(3) 0.5803(3) 0.0243(9) Uani 1 d . .
N2 N 1.3442(3) 0.3598(3) 0.6352(3) 0.0196(8) Uani 1 d . .
N3 N 1.4071(3) 0.3058(3) 0.4497(3) 0.0228(9) Uani 1 d . .
N4 N 1.1946(3) 0.1354(3) 0.3352(3) 0.0249(9) Uani 1 d . .
N5 N 1.3273(3) 0.1263(3) 0.5144(3) 0.0217(9) Uani 1 d . .
N6 N 1.3902(3) 0.1362(3) 0.6154(3) 0.0235(9) Uani 1 d . .
N7 N 1.5271(4) -0.0244(3) 0.7719(3) 0.0442(12) Uani 1 d . .
C1 C 1.0491(4) 0.1959(4) 0.5452(4) 0.0300(12) Uani 1 d . .
H1A H 1.0220(4) 0.1576(4) 0.4690(4) 0.036 Uiso 1 calc R .
C2 C 0.9846(4) 0.1916(4) 0.6178(4) 0.0358(12) Uani 1 d . .
H2A H 0.9153(4) 0.1510(4) 0.5911(4) 0.043 Uiso 1 calc R .
C3 C 1.0247(4) 0.2485(4) 0.7304(4) 0.0382(13) Uani 1 d . .
H3A H 0.9833(4) 0.2457(4) 0.7811(4) 0.046 Uiso 1 calc R .
C4 C 1.1265(4) 0.3096(4) 0.7674(4) 0.0342(12) Uani 1 d . .
H4A H 1.1540(4) 0.3489(4) 0.8433(4) 0.041 Uiso 1 calc R .
C5 C 1.1877(4) 0.3127(4) 0.6921(4) 0.0256(11) Uani 1 d . .
C6 C 1.2991(4) 0.3732(4) 0.7236(4) 0.0228(10) Uani 1 d . .
C7 C 1.3577(4) 0.4365(4) 0.8299(4) 0.0315(12) Uani 1 d . .
H7A H 1.3266(4) 0.4475(4) 0.8910(4) 0.038 Uiso 1 calc R .
C8 C 1.4640(4) 0.4833(4) 0.8438(4) 0.0336(12) Uani 1 d . .
H8A H 1.5038(4) 0.5277(4) 0.9147(4) 0.040 Uiso 1 calc R .
C9 C 1.5116(4) 0.4649(4) 0.7536(4) 0.0274(11) Uani 1 d . .
H9A H 1.5837(4) 0.4943(4) 0.7634(4) 0.033 Uiso 1 calc R .
C10 C 1.4493(4) 0.4018(3) 0.6489(4) 0.0226(10) Uani 1 d . .
C11 C 1.4850(4) 0.3701(3) 0.5422(4) 0.0238(11) Uani 1 d . .
C12 C 1.5893(4) 0.4028(4) 0.5339(4) 0.0305(12) Uani 1 d . .
H12A H 1.6422(4) 0.4452(4) 0.5975(4) 0.037 Uiso 1 calc R .
C13 C 1.6133(4) 0.3716(4) 0.4299(4) 0.0334(12) Uani 1 d . .
H13A H 1.6828(4) 0.3928(4) 0.4230(4) 0.040 Uiso 1 calc R .
C14 C 1.5337(4) 0.3088(4) 0.3364(4) 0.0315(12) Uani 1 d . .
H14A H 1.5485(4) 0.2876(4) 0.2658(4) 0.038 Uiso 1 calc R .
C15 C 1.4318(4) 0.2783(4) 0.3496(4) 0.0257(11) Uani 1 d . .
H15A H 1.3779(4) 0.2368(4) 0.2863(4) 0.031 Uiso 1 calc R .
C16 C 1.1279(4) 0.1473(4) 0.2439(4) 0.0372(13) Uani 1 d . .
H16A H 1.1045(4) 0.2167(4) 0.2476(4) 0.045 Uiso 1 calc R .
C17 C 1.0935(5) 0.0598(4) 0.1454(5) 0.054(2) Uani 1 d . .
H17A H 1.0466(5) 0.0705(4) 0.0840(5) 0.065 Uiso 1 calc R .
C18 C 1.1275(5) -0.0432(5) 0.1367(4) 0.056(2) Uani 1 d . .
H18A H 1.1061(5) -0.1022(5) 0.0695(4) 0.068 Uiso 1 calc R .
C19 C 1.1942(4) -0.0569(4) 0.2300(4) 0.0407(13) Uani 1 d . .
H19A H 1.2172(4) -0.1263(4) 0.2273(4) 0.049 Uiso 1 calc R .
C20 C 1.2268(4) 0.0329(4) 0.3277(4) 0.0257(11) Uani 1 d . .
C21 C 1.3001(4) 0.0270(4) 0.4311(4) 0.0226(10) Uani 1 d . .
C22 C 1.3381(4) -0.0684(4) 0.4487(4) 0.0281(11) Uani 1 d . .
H22A H 1.3207(4) -0.1368(4) 0.3914(4) 0.034 Uiso 1 calc R .
C23 C 1.4017(4) -0.0598(4) 0.5517(4) 0.0283(11) Uani 1 d . .
H23A H 1.4283(4) -0.1221(4) 0.5664(4) 0.034 Uiso 1 calc R .
C24 C 1.4256(4) 0.0448(4) 0.6344(4) 0.0249(11) Uani 1 d . .
C25 C 1.4902(4) 0.0645(4) 0.7504(4) 0.0302(12) Uani 1 d . .
C26 C 1.5076(6) 0.1679(5) 0.8307(5) 0.063(2) Uani 1 d . .
H26A H 1.4813(6) 0.2287(5) 0.8128(5) 0.076 Uiso 1 calc R .
C27 C 1.5646(6) 0.1806(5) 0.9389(5) 0.072(2) Uani 1 d . .
H27A H 1.5770(6) 0.2500(5) 0.9946(5) 0.086 Uiso 1 calc R .
C28 C 1.6019(5) 0.0908(5) 0.9622(5) 0.051(2) Uani 1 d . .
H28A H 1.6404(5) 0.0968(5) 1.0341(5) 0.061 Uiso 1 calc R .
C29 C 1.5816(5) -0.0090(5) 0.8774(5) 0.055(2) Uani 1 d . .
H29A H 1.6075(5) -0.0706(5) 0.8940(5) 0.066 Uiso 1 calc R .
C30 C 1.1420(4) 0.4541(4) 0.4223(4) 0.0301(11) Uani 1 d . .
C31 C 1.0887(5) 0.5455(4) 0.3946(5) 0.050(2) Uani 1 d . .
H31A H 1.0108(7) 0.5238(12) 0.3619(29) 0.074 Uiso 1 calc R .
H31B H 1.1224(21) 0.5639(21) 0.3423(24) 0.074 Uiso 1 calc R .
H31C H 1.0981(27) 0.6090(10) 0.4616(7) 0.074 Uiso 1 calc R .
C3S C 1.1814(5) 0.0116(5) 0.7166(5) 0.0464(14) Uani 1 d . .
C4S C 1.2058(7) 0.0382(7) 0.8367(6) 0.090(3) Uani 1 d . .
H4S1 H 1.2814(16) 0.0704(43) 0.8689(7) 0.135 Uiso 1 calc R .
H4S2 H 1.1960(46) -0.0282(10) 0.8536(6) 0.135 Uiso 1 calc R .
H4S3 H 1.1564(32) 0.0901(36) 0.8673(8) 0.135 Uiso 1 calc R .
C1S C 1.2055(7) -0.3577(6) 0.1514(7) 0.067(2) Uani 1 d . .
C2S C 1.1383(10) -0.4010(9) 0.0349(8) 0.164(6) Uani 1 d . .
H2S1 H 1.1799(35) -0.3868(76) -0.0139(13) 0.246 Uiso 1 calc R .
H2S2 H 1.0708(42) -0.3651(64) 0.0292(20) 0.246 Uiso 1 calc R .
H2S3 H 1.1204(73) -0.4795(18) 0.0135(30) 0.246 Uiso 1 calc R .
N8 N 1.1863(3) 0.3851(3) 0.4451(3) 0.0245(9) Uani 1 d . .
N2S N 1.1615(4) -0.0066(4) 0.6236(5) 0.0575(14) Uani 1 d . .
N1S N 1.2527(5) -0.3241(5) 0.2386(6) 0.075(2) Uani 1 d . .
F1A F 1.2329(10) 0.6577(10) 0.8654(11) 0.136(2) Uani 0.534(9) d P 2
F2A F 1.0563(8) 0.6387(8) 0.7911(8) 0.136(2) Uani 0.632(8) d P 2
F3A F 1.2581(7) 0.7650(7) 0.7642(8) 0.136(2) Uani 0.877(14) d P 2
O1A O 0.6985(53) 0.7689(57) 0.9229(44) 0.079(8) Uani 0.50 d P 2
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
F F 0.0171 0.0103 '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'
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 Ru1 N5 92.46(14) . . ?
N2 Ru1 N8 93.01(14) . . ?
N5 Ru1 N8 174.32(14) . . ?
N2 Ru1 N3 79.50(14) . . ?
N5 Ru1 N3 91.85(14) . . ?
N8 Ru1 N3 90.66(14) . . ?
N2 Ru1 N4 170.70(14) . . ?
N5 Ru1 N4 78.46(14) . . ?
N8 Ru1 N4 96.13(14) . . ?
N3 Ru1 N4 98.59(14) . . ?
N2 Ru1 N1 79.53(15) . . ?
N5 Ru1 N1 89.53(14) . . ?
N8 Ru1 N1 89.94(14) . . ?
N3 Ru1 N1 159.03(14) . . ?
N4 Ru1 N1 102.18(15) . . ?
O1 Cl1 O3 105.8(31) . . ?
O1 Cl1 O2 120.4(18) . . ?
O3 Cl1 O2 108.5(3) . . ?
O1 Cl1 O4 102.3(19) . . ?
O3 Cl1 O4 111.4(3) . . ?
O2 Cl1 O4 108.3(3) . . ?
O1 Cl1 O1A 19.8(32) . . ?
O3 Cl1 O1A 113.6(30) . . ?
O2 Cl1 O1A 100.8(19) . . ?
O4 Cl1 O1A 113.6(21) . . ?
F5 P1 F1 142.9(7) . . ?
F5 P1 F6 98.8(4) . . ?
F1 P1 F6 103.1(6) . . ?
F5 P1 F4 84.9(4) . . ?
F1 P1 F4 80.1(6) . . ?
F6 P1 F4 167.6(4) . . ?
F5 P1 F3A 95.0(5) . . ?
F1 P1 F3A 54.4(7) . . ?
F6 P1 F3A 93.4(4) . . ?
F4 P1 F3A 98.1(4) . . ?
F5 P1 F1A 170.3(6) . . ?
F1 P1 F1A 42.8(6) . . ?
F6 P1 F1A 85.1(5) . . ?
F4 P1 F1A 89.5(5) . . ?
F3A P1 F1A 93.6(6) . . ?
F5 P1 F2A 86.1(5) . . ?
F1 P1 F2A 127.4(9) . . ?
F6 P1 F2A 78.2(4) . . ?
F4 P1 F2A 90.3(4) . . ?
F3A P1 F2A 171.7(5) . . ?
F1A P1 F2A 86.0(6) . . ?
F5 P1 F3 58.6(27) . . ?
F1 P1 F3 87.0(27) . . ?
F6 P1 F3 104.0(20) . . ?
F4 P1 F3 88.1(20) . . ?
F3A P1 F3 37.0(25) . . ?
F1A P1 F3 129.2(28) . . ?
F2A P1 F3 144.7(28) . . ?
F5 P1 F2 117.7(7) . . ?
F1 P1 F2 85.9(10) . . ?
F6 P1 F2 103.5(6) . . ?
F4 P1 F2 64.6(6) . . ?
F3A P1 F2 139.6(8) . . ?
F1A P1 F2 52.7(7) . . ?
F2A P1 F2 44.7(6) . . ?
F3 P1 F2 152.5(21) . . ?
F1A F1 F3A 128.9(15) . . ?
F1A F1 P1 72.7(11) . . ?
F3A F1 P1 63.9(8) . . ?
F2A F2 F1A 109.1(15) . . ?
F2A F2 P1 66.0(11) . . ?
F1A F2 P1 61.7(9) . . ?
F2A F2 F4 97.2(14) . . ?
F1A F2 F4 88.6(11) . . ?
P1 F2 F4 54.3(6) . . ?
F3A F3 F5 123.1(54) . . ?
F3A F3 P1 67.6(39) . . ?
F5 F3 P1 56.6(20) . . ?
P1 F4 F2 61.1(7) . . ?
P1 F5 F3 64.8(29) . . ?
C1 N1 C5 118.9(4) . . ?
C1 N1 Ru1 128.0(3) . . ?
C5 N1 Ru1 113.1(3) . . ?
C6 N2 C10 121.4(4) . . ?
C6 N2 Ru1 119.0(3) . . ?
C10 N2 Ru1 119.1(3) . . ?
C15 N3 C11 118.6(4) . . ?
C15 N3 Ru1 128.1(3) . . ?
C11 N3 Ru1 113.3(3) . . ?
C16 N4 C20 117.9(4) . . ?
C16 N4 Ru1 126.9(3) . . ?
C20 N4 Ru1 115.1(3) . . ?
N6 N5 C21 121.9(4) . . ?
N6 N5 Ru1 119.7(3) . . ?
C21 N5 Ru1 118.2(3) . . ?
N5 N6 C24 118.7(4) . . ?
C25 N7 C29 116.6(4) . . ?
N1 C1 C2 122.3(5) . . ?
C3 C2 C1 118.8(5) . . ?
C4 C3 C2 119.4(5) . . ?
C3 C4 C5 119.9(5) . . ?
N1 C5 C4 120.6(4) . . ?
N1 C5 C6 115.3(4) . . ?
C4 C5 C6 124.1(4) . . ?
N2 C6 C7 120.1(4) . . ?
N2 C6 C5 113.0(4) . . ?
C7 C6 C5 126.9(4) . . ?
C6 C7 C8 118.6(4) . . ?
C9 C8 C7 120.9(4) . . ?
C10 C9 C8 118.3(4) . . ?
N2 C10 C9 120.5(4) . . ?
N2 C10 C11 112.5(4) . . ?
C9 C10 C11 127.0(4) . . ?
N3 C11 C12 121.0(4) . . ?
N3 C11 C10 115.4(4) . . ?
C12 C11 C10 123.6(4) . . ?
C13 C12 C11 119.2(4) . . ?
C14 C13 C12 119.6(5) . . ?
C15 C14 C13 118.7(4) . . ?
N3 C15 C14 122.8(4) . . ?
N4 C16 C17 121.8(5) . . ?
C18 C17 C16 120.6(5) . . ?
C17 C18 C19 118.2(5) . . ?
C18 C19 C20 119.5(5) . . ?
N4 C20 C19 122.0(4) . . ?
N4 C20 C21 114.5(4) . . ?
C19 C20 C21 123.5(4) . . ?
N5 C21 C22 120.2(4) . . ?
N5 C21 C20 113.6(4) . . ?
C22 C21 C20 126.2(4) . . ?
C23 C22 C21 118.7(4) . . ?
C22 C23 C24 118.3(4) . . ?
N6 C24 C23 122.3(4) . . ?
N6 C24 C25 114.2(4) . . ?
C23 C24 C25 123.5(4) . . ?
N7 C25 C26 122.5(4) . . ?
N7 C25 C24 115.8(4) . . ?
C26 C25 C24 121.7(4) . . ?
C25 C26 C27 119.2(5) . . ?
C28 C27 C26 119.0(6) . . ?
C27 C28 C29 118.2(5) . . ?
N7 C29 C28 124.5(5) . . ?
N8 C30 C31 177.9(5) . . ?
N2S C3S C4S 178.3(7) . . ?
N1S C1S C2S 178.0(8) . . ?
C30 N8 Ru1 178.9(4) . . ?
F1 F1A F2 112.9(14) . . ?
F1 F1A P1 64.5(11) . . ?
F2 F1A P1 65.6(10) . . ?
F2 F2A P1 69.4(10) . . ?
F3 F3A F1 126.8(38) . . ?
F3 F3A P1 75.5(35) . . ?
F1 F3A P1 61.7(7) . . ?
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 N2 1.968(3) . ?
Ru1 N5 2.005(3) . ?
Ru1 N8 2.043(4) . ?
Ru1 N3 2.071(4) . ?
Ru1 N4 2.073(4) . ?
Ru1 N1 2.078(4) . ?
Cl1 O1 1.39(6) . ?
Cl1 O3 1.422(4) . ?
Cl1 O2 1.425(4) . ?
Cl1 O4 1.428(4) . ?
Cl1 O1A 1.47(6) . ?
P1 F5 1.469(6) . ?
P1 F1 1.491(15) . ?
P1 F6 1.506(5) . ?
P1 F4 1.512(7) . ?
P1 F3A 1.520(8) . ?
P1 F1A 1.577(13) . ?
P1 F2A 1.591(10) . ?
P1 F3 1.59(6) . ?
P1 F2 1.63(2) . ?
F1 F1A 1.12(2) . ?
F1 F3A 1.38(2) . ?
F2 F2A 1.22(2) . ?
F2 F1A 1.42(2) . ?
F2 F4 1.68(2) . ?
F3 F3A 0.99(7) . ?
F3 F5 1.50(6) . ?
N1 C1 1.335(6) . ?
N1 C5 1.371(6) . ?
N2 C6 1.350(5) . ?
N2 C10 1.352(6) . ?
N3 C15 1.340(6) . ?
N3 C11 1.368(6) . ?
N4 C16 1.345(6) . ?
N4 C20 1.359(6) . ?
N5 N6 1.337(5) . ?
N5 C21 1.352(5) . ?
N6 C24 1.338(6) . ?
N7 C25 1.326(6) . ?
N7 C29 1.338(6) . ?
C1 C2 1.379(7) . ?
C2 C3 1.377(7) . ?
C3 C4 1.374(7) . ?
C4 C5 1.375(6) . ?
C5 C6 1.477(6) . ?
C6 C7 1.379(6) . ?
C7 C8 1.388(7) . ?
C8 C9 1.381(7) . ?
C9 C10 1.378(6) . ?
C10 C11 1.481(6) . ?
C11 C12 1.389(6) . ?
C12 C13 1.380(7) . ?
C13 C14 1.380(7) . ?
C14 C15 1.377(7) . ?
C16 C17 1.373(7) . ?
C17 C18 1.369(8) . ?
C18 C19 1.376(7) . ?
C19 C20 1.380(6) . ?
C20 C21 1.474(6) . ?
C21 C22 1.388(6) . ?
C22 C23 1.367(6) . ?
C23 C24 1.394(6) . ?
C24 C25 1.482(6) . ?
C25 C26 1.370(7) . ?
C26 C27 1.384(8) . ?
C27 C28 1.348(8) . ?
C28 C29 1.363(8) . ?
C30 N8 1.136(6) . ?
C30 C31 1.462(7) . ?
C3S N2S 1.124(7) . ?
C3S C4S 1.446(9) . ?
C1S N1S 1.093(8) . ?
C1S C2S 1.476(12) . ?
