#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006457.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_7006457
loop_
_publ_author_name
'Mulhern, Declan'
'Brooker, Sally'
'Görls, Helmar'
'Rau, Sven'
'Vos, Johannes G.'
_publ_section_title
;
 Synthesis of mononuclear and dinuclear ruthenium(II)
 tris(heteroleptic) complexes via photosubstitution in bis(carbonyl)
 precursors.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              51
_journal_page_last               57
_journal_paper_doi               10.1039/b510751b
_journal_year                    2006
_chemical_formula_sum            'C36 H33 F6 N9 O0.5 P Ru'
_chemical_formula_weight         845.75
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.9090(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.95240(10)
_cell_length_b                   12.24230(10)
_cell_length_c                   23.4412(4)
_cell_measurement_temperature    200(2)
_cell_volume                     3982.70(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART area detector'
_diffrn_measurement_method       'CCD area detector'
_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  0.0787
_diffrn_reflns_av_sigmaI/netI    0.0863
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22545
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker AXS Inc., 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.248
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.225
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         8079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1062P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1587
_refine_ls_wR_factor_ref         0.1872
_reflns_number_gt                4996
_reflns_number_total             8079
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b510751b.txt
_cod_data_source_block           2vosrr
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C36 H33 F6 N9 O0.50 P Ru'
_cod_database_code               7006457
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.39023(3) 0.00075(3) 0.318726(15) 0.03340(15) Uani 1 1 d . . .
N7 N 0.5106(3) 0.0950(3) 0.33747(15) 0.0347(9) Uani 1 1 d . . .
N8 N 0.5496(3) 0.1540(3) 0.38328(16) 0.0364(9) Uani 1 1 d . . .
C2 C 0.6350(4) 0.1861(4) 0.3672(2) 0.0368(11) Uani 1 1 d . . .
N9 N 0.6545(3) 0.1516(3) 0.31490(16) 0.0399(10) Uani 1 1 d . . .
C5 C 0.5736(4) 0.0945(4) 0.29840(19) 0.0356(11) Uani 1 1 d . . .
C6 C 0.5477(4) 0.0354(4) 0.2454(2) 0.0352(11) Uani 1 1 d . . .
C7 C 0.6040(4) 0.0321(4) 0.2006(2) 0.0411(12) Uani 1 1 d . . .
H7 H 0.6649 0.0677 0.2034 0.049 Uiso 1 1 calc R . .
C8 C 0.5703(4) -0.0242(4) 0.1509(2) 0.0466(13) Uani 1 1 d . . .
H8 H 0.6066 -0.0257 0.1187 0.056 Uiso 1 1 calc R . .
C9 C 0.4836(4) -0.0775(4) 0.1493(2) 0.0481(13) Uani 1 1 d . . .
H9 H 0.4594 -0.1171 0.1161 0.058 Uiso 1 1 calc R . .
C10 C 0.4315(4) -0.0732(4) 0.1965(2) 0.0436(12) Uani 1 1 d . . .
H10 H 0.3716 -0.1106 0.1948 0.052 Uiso 1 1 calc R . .
N5 N 0.4623(3) -0.0185(3) 0.24478(17) 0.0361(9) Uani 1 1 d . . .
C16 C 0.7027(4) 0.2564(4) 0.4038(2) 0.0411(12) Uani 1 1 d . . .
C17 C 0.7901(4) 0.2869(6) 0.3855(3) 0.0647(17) Uani 1 1 d . . .
H17 H 0.8092 0.2590 0.3506 0.078 Uiso 1 1 calc R . .
C18 C 0.8495(5) 0.3587(7) 0.4186(3) 0.090(2) Uani 1 1 d . . .
H18 H 0.9096 0.3814 0.4069 0.108 Uiso 1 1 calc R . .
C19 C 0.8185(5) 0.3958(6) 0.4689(3) 0.080(2) Uani 1 1 d . . .
H19 H 0.8563 0.4461 0.4925 0.096 Uiso 1 1 calc R . .
C20 C 0.7321(5) 0.3592(5) 0.4846(3) 0.0655(18) Uani 1 1 d . . .
H20 H 0.7130 0.3831 0.5203 0.079 Uiso 1 1 calc R . .
N71 N 0.6732(3) 0.2920(4) 0.45283(18) 0.0532(12) Uani 1 1 d . . .
N3 N 0.2692(3) -0.0902(3) 0.29218(17) 0.0390(9) Uani 1 1 d . . .
C26 C 0.1988(4) -0.0370(4) 0.2587(2) 0.0417(12) Uani 1 1 d . . .
C27 C 0.1125(4) -0.0893(5) 0.2404(3) 0.0609(16) Uani 1 1 d . . .
H27 H 0.0643 -0.0513 0.2166 0.073 Uiso 1 1 calc R . .
C28 C 0.0964(5) -0.1946(5) 0.2562(3) 0.0650(17) Uani 1 1 d . . .
H28 H 0.0373 -0.2300 0.2440 0.078 Uiso 1 1 calc R . .
C29 C 0.1661(5) -0.2470(5) 0.2894(3) 0.0661(17) Uani 1 1 d . . .
H29 H 0.1566 -0.3203 0.3007 0.079 Uiso 1 1 calc R . .
C30 C 0.2522(4) -0.1938(4) 0.3071(3) 0.0547(15) Uani 1 1 d . . .
H30 H 0.3006 -0.2322 0.3305 0.066 Uiso 1 1 calc R . .
N4 N 0.3054(3) 0.1152(3) 0.27271(16) 0.0361(9) Uani 1 1 d . . .
C36 C 0.2202(4) 0.0772(4) 0.2462(2) 0.0399(11) Uani 1 1 d . . .
C37 C 0.1607(4) 0.1435(5) 0.2099(3) 0.0596(16) Uani 1 1 d . . .
H37 H 0.1035 0.1147 0.1900 0.072 Uiso 1 1 calc R . .
C38 C 0.1853(4) 0.2519(5) 0.2030(3) 0.0611(16) Uani 1 1 d . . .
H38 H 0.1443 0.2990 0.1793 0.073 Uiso 1 1 calc R . .
C39 C 0.2699(4) 0.2904(5) 0.2310(2) 0.0548(15) Uani 1 1 d . . .
H39 H 0.2881 0.3644 0.2265 0.066 Uiso 1 1 calc R . .
C40 C 0.3283(4) 0.2218(4) 0.2654(2) 0.0445(12) Uani 1 1 d . . .
H40 H 0.3864 0.2497 0.2847 0.053 Uiso 1 1 calc R . .
N1 N 0.4601(3) -0.1216(3) 0.36682(17) 0.0377(9) Uani 1 1 d . . .
C46 C 0.4445(4) -0.1246(4) 0.4231(2) 0.0395(11) Uani 1 1 d . . .
C47 C 0.4871(4) -0.2014(4) 0.4603(2) 0.0493(13) Uani 1 1 d . . .
H47 H 0.4760 -0.2000 0.4996 0.059 Uiso 1 1 calc R . .
C48 C 0.5466(4) -0.2815(4) 0.4402(3) 0.0531(14) Uani 1 1 d . . .
C49 C 0.5612(4) -0.2777(5) 0.3832(3) 0.0560(15) Uani 1 1 d . . .
H49 H 0.6014 -0.3304 0.3678 0.067 Uiso 1 1 calc R . .
C50 C 0.5178(4) -0.1974(4) 0.3481(2) 0.0486(13) Uani 1 1 d . . .
H50 H 0.5296 -0.1962 0.3089 0.058 Uiso 1 1 calc R . .
C51 C 0.5949(5) -0.3646(6) 0.4814(3) 0.083(2) Uani 1 1 d . . .
H51A H 0.5758 -0.4384 0.4685 0.100 Uiso 1 1 calc R . .
H51B H 0.5751 -0.3522 0.5198 0.100 Uiso 1 1 calc R . .
H51C H 0.6650 -0.3572 0.4826 0.100 Uiso 1 1 calc R . .
N2 N 0.3403(3) 0.0269(3) 0.39701(17) 0.0356(9) Uani 1 1 d . . .
C56 C 0.3776(4) -0.0392(4) 0.4404(2) 0.0372(11) Uani 1 1 d . . .
C57 C 0.3533(4) -0.0264(4) 0.4950(2) 0.0468(13) Uani 1 1 d . . .
H57 H 0.3809 -0.0736 0.5244 0.056 Uiso 1 1 calc R . .
C58 C 0.2889(4) 0.0541(5) 0.5085(2) 0.0483(13) Uani 1 1 d . . .
C59 C 0.2536(4) 0.1202(4) 0.4639(2) 0.0496(13) Uani 1 1 d . . .
H59 H 0.2098 0.1770 0.4707 0.060 Uiso 1 1 calc R . .
C60 C 0.2804(4) 0.1057(4) 0.4095(2) 0.0466(13) Uani 1 1 d . . .
H60 H 0.2551 0.1536 0.3798 0.056 Uiso 1 1 calc R . .
C61 C 0.2600(5) 0.0675(6) 0.5680(3) 0.075(2) Uani 1 1 d . . .
H61A H 0.2398 0.1431 0.5735 0.090 Uiso 1 1 calc R . .
H61B H 0.3149 0.0501 0.5961 0.090 Uiso 1 1 calc R . .
H61C H 0.2064 0.0180 0.5734 0.090 Uiso 1 1 calc R . .
P1 P 0.85779(12) 0.57283(14) 0.62981(7) 0.0563(4) Uani 1 1 d . . .
F11 F 0.8521(5) 0.5425(5) 0.6943(2) 0.130(2) Uani 1 1 d . . .
F12 F 0.7658(3) 0.6460(4) 0.6339(3) 0.1159(17) Uani 1 1 d . . .
F13 F 0.7916(3) 0.4690(4) 0.6124(2) 0.0907(13) Uani 1 1 d . . .
F14 F 0.9245(4) 0.6728(4) 0.6484(3) 0.1265(19) Uani 1 1 d . . .
F15 F 0.8605(6) 0.6011(5) 0.5663(2) 0.160(3) Uani 1 1 d . . .
F16 F 0.9499(4) 0.4988(4) 0.6289(4) 0.153(3) Uani 1 1 d . . .
C80 C 0.0419(11) 0.2097(14) 0.0500(6) 0.090(5) Uani 0.50 1 d P . .
H80A H 0.0318 0.1913 0.0092 0.108 Uiso 0.50 1 calc PR . .
H80B H 0.0239 0.1472 0.0728 0.108 Uiso 0.50 1 calc PR . .
H80C H 0.1100 0.2274 0.0605 0.108 Uiso 0.50 1 calc PR . .
C81 C -0.0160(11) 0.3014(19) 0.0612(8) 0.102(6) Uani 0.50 1 d P . .
H81A H -0.0356 0.3380 0.0242 0.122 Uiso 0.50 1 calc PR . .
H81B H -0.0755 0.2738 0.0759 0.122 Uiso 0.50 1 calc PR . .
O82 O 0.0228(6) 0.3785(8) 0.0986(4) 0.060(2) Uani 0.50 1 d P . .
C83 C -0.0195(14) 0.469(2) 0.1084(9) 0.129(9) Uani 0.50 1 d P . .
H83A H -0.0811 0.4499 0.1234 0.155 Uiso 0.50 1 calc PR . .
H83B H -0.0363 0.5047 0.0708 0.155 Uiso 0.50 1 calc PR . .
C84 C 0.0236(14) 0.5466(12) 0.1442(10) 0.118(8) Uani 0.50 1 d P . .
H84A H 0.0413 0.5146 0.1821 0.142 Uiso 0.50 1 calc PR . .
H84B H -0.0212 0.6074 0.1475 0.142 Uiso 0.50 1 calc PR . .
H84C H 0.0816 0.5736 0.1285 0.142 Uiso 0.50 1 calc PR . .
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'
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'
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
N7 Ru N2 93.81(15) . . y
N7 Ru N1 87.73(15) . . y
N2 Ru N1 79.01(15) . . y
N7 Ru N3 174.82(14) . . y
N2 Ru N3 90.66(16) . . y
N1 Ru N3 95.69(16) . . y
N7 Ru N4 98.24(16) . . y
N2 Ru N4 97.59(15) . . y
N1 Ru N4 173.35(15) . . y
N3 Ru N4 78.56(16) . . y
N7 Ru N5 77.82(15) . . y
N2 Ru N5 171.10(15) . . y
N1 Ru N5 97.46(15) . . y
N3 Ru N5 97.85(15) . . y
N4 Ru N5 86.71(15) . . y
C5 N7 N8 107.8(4) . . ?
C5 N7 Ru 115.7(3) . . ?
N8 N7 Ru 136.1(3) . . ?
C2 N8 N7 103.2(4) . . ?
N8 C2 N9 115.5(4) . . ?
N8 C2 C16 122.5(4) . . ?
N9 C2 C16 122.0(4) . . ?
C5 N9 C2 100.4(4) . . ?
N7 C5 N9 113.1(4) . . ?
N7 C5 C6 117.8(4) . . ?
N9 C5 C6 129.1(4) . . ?
N5 C6 C7 123.0(4) . . ?
N5 C6 C5 113.1(4) . . ?
C7 C6 C5 123.9(5) . . ?
C6 C7 C8 118.9(5) . . ?
C9 C8 C7 118.6(5) . . ?
C8 C9 C10 119.6(5) . . ?
N5 C10 C9 122.8(5) . . ?
C10 N5 C6 117.0(4) . . ?
C10 N5 Ru 127.5(3) . . ?
C6 N5 Ru 115.4(3) . . ?
N71 C16 C17 122.7(5) . . ?
N71 C16 C2 116.9(5) . . ?
C17 C16 C2 120.3(5) . . ?
C16 C17 C18 119.3(6) . . ?
C19 C18 C17 117.8(7) . . ?
C20 C19 C18 119.1(6) . . ?
N71 C20 C19 124.0(6) . . ?
C16 N71 C20 117.1(5) . . ?
C30 N3 C26 117.8(5) . . ?
C30 N3 Ru 126.3(4) . . ?
C26 N3 Ru 115.8(3) . . ?
N3 C26 C27 120.5(5) . . ?
N3 C26 C36 115.0(4) . . ?
C27 C26 C36 124.4(5) . . ?
C28 C27 C26 120.8(6) . . ?
C29 C28 C27 118.6(6) . . ?
C28 C29 C30 120.0(6) . . ?
N3 C30 C29 122.3(6) . . ?
C40 N4 C36 118.4(4) . . ?
C40 N4 Ru 126.0(4) . . ?
C36 N4 Ru 115.6(3) . . ?
N4 C36 C37 121.2(5) . . ?
N4 C36 C26 114.8(4) . . ?
C37 C36 C26 124.0(5) . . ?
C38 C37 C36 119.5(6) . . ?
C39 C38 C37 118.9(5) . . ?
C38 C39 C40 120.0(5) . . ?
N4 C40 C39 121.8(5) . . ?
C50 N1 C46 117.6(4) . . ?
C50 N1 Ru 126.5(3) . . ?
C46 N1 Ru 115.9(3) . . ?
N1 C46 C47 122.1(5) . . ?
N1 C46 C56 114.4(4) . . ?
C47 C46 C56 123.5(5) . . ?
C46 C47 C48 120.0(5) . . ?
C49 C48 C47 117.2(5) . . ?
C49 C48 C51 122.9(6) . . ?
C47 C48 C51 119.9(5) . . ?
C48 C49 C50 120.2(5) . . ?
N1 C50 C49 122.9(5) . . ?
C60 N2 C56 117.9(4) . . ?
C60 N2 Ru 126.1(3) . . ?
C56 N2 Ru 115.9(3) . . ?
N2 C56 C57 121.3(5) . . ?
N2 C56 C46 114.7(4) . . ?
C57 C56 C46 124.1(5) . . ?
C56 C57 C58 121.5(5) . . ?
C59 C58 C57 115.7(5) . . ?
C59 C58 C61 122.3(5) . . ?
C57 C58 C61 122.0(5) . . ?
C58 C59 C60 121.2(5) . . ?
N2 C60 C59 122.3(5) . . ?
F15 P1 F11 178.4(4) . . ?
F15 P1 F14 91.2(3) . . ?
F11 P1 F14 90.2(3) . . ?
F15 P1 F16 90.8(4) . . ?
F11 P1 F16 90.0(4) . . ?
F14 P1 F16 89.5(3) . . ?
F15 P1 F12 91.8(4) . . ?
F11 P1 F12 87.4(3) . . ?
F14 P1 F12 90.1(3) . . ?
F16 P1 F12 177.3(4) . . ?
F15 P1 F13 90.2(3) . . ?
F11 P1 F13 88.4(3) . . ?
F14 P1 F13 178.3(3) . . ?
F16 P1 F13 89.4(3) . . ?
F12 P1 F13 90.8(3) . . ?
O82 C81 C80 118.0(13) . . ?
C83 O82 C81 123.5(15) . . ?
O82 C83 C84 121.9(17) . . ?
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
Ru N7 2.048(4) . y
Ru N2 2.054(4) . y
Ru N1 2.059(4) . y
Ru N3 2.064(4) . y
Ru N4 2.065(4) . y
Ru N5 2.105(4) . y
N7 C5 1.333(6) . ?
N7 N8 1.360(5) . ?
N8 C2 1.345(6) . ?
C2 N9 1.352(6) . ?
C2 C16 1.484(7) . ?
N9 C5 1.350(6) . ?
C5 C6 1.450(6) . ?
C6 N5 1.361(6) . ?
C6 C7 1.377(7) . ?
C7 C8 1.393(8) . ?
C8 C9 1.371(7) . ?
C9 C10 1.386(7) . ?
C10 N5 1.346(6) . ?
C16 N71 1.332(6) . ?
C16 C17 1.385(8) . ?
C17 C18 1.390(9) . ?
C18 C19 1.374(10) . ?
C19 C20 1.371(9) . ?
C20 N71 1.335(7) . ?
N3 C30 1.343(6) . ?
N3 C26 1.359(7) . ?
C26 C27 1.392(7) . ?
C26 C36 1.465(7) . ?
C27 C28 1.366(8) . ?
C28 C29 1.344(9) . ?
C29 C30 1.390(8) . ?
N4 C40 1.359(6) . ?
N4 C36 1.365(6) . ?
C36 C37 1.387(7) . ?
C37 C38 1.385(8) . ?
C38 C39 1.373(8) . ?
C39 C40 1.373(7) . ?
N1 C50 1.332(6) . ?
N1 C46 1.361(6) . ?
C46 C47 1.374(7) . ?
C46 C56 1.485(7) . ?
C47 C48 1.398(8) . ?
C48 C49 1.373(8) . ?
C48 C51 1.513(8) . ?
C49 C50 1.380(8) . ?
N2 C60 1.328(6) . ?
N2 C56 1.361(6) . ?
C56 C57 1.365(7) . ?
C57 C58 1.391(8) . ?
C58 C59 1.373(7) . ?
C58 C61 1.502(7) . ?
C59 C60 1.376(7) . ?
P1 F15 1.533(5) . ?
P1 F11 1.567(5) . ?
P1 F14 1.572(5) . ?
P1 F16 1.574(5) . ?
P1 F12 1.576(5) . ?
P1 F13 1.599(4) . ?
C80 C81 1.42(2) . ?
C81 O82 1.36(2) . ?
O82 C83 1.29(2) . ?
C83 C84 1.36(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ru N7 C5 174.0(3) . . . . ?
N1 Ru N7 C5 95.2(3) . . . . ?
N3 Ru N7 C5 -36.3(18) . . . . ?
N4 Ru N7 C5 -87.7(3) . . . . ?
N5 Ru N7 C5 -2.9(3) . . . . ?
N2 Ru N7 N8 1.0(4) . . . . ?
N1 Ru N7 N8 -77.8(4) . . . . ?
N3 Ru N7 N8 150.7(15) . . . . ?
N4 Ru N7 N8 99.2(4) . . . . ?
N5 Ru N7 N8 -176.0(4) . . . . ?
C5 N7 N8 C2 0.7(5) . . . . ?
Ru N7 N8 C2 174.1(3) . . . . ?
N7 N8 C2 N9 -0.6(5) . . . . ?
N7 N8 C2 C16 178.3(4) . . . . ?
N8 C2 N9 C5 0.3(5) . . . . ?
C16 C2 N9 C5 -178.6(4) . . . . ?
N8 N7 C5 N9 -0.6(5) . . . . ?
Ru N7 C5 N9 -175.5(3) . . . . ?
N8 N7 C5 C6 179.6(4) . . . . ?
Ru N7 C5 C6 4.7(5) . . . . ?
C2 N9 C5 N7 0.2(5) . . . . ?
C2 N9 C5 C6 180.0(5) . . . . ?
N7 C5 C6 N5 -3.9(6) . . . . ?
N9 C5 C6 N5 176.3(5) . . . . ?
N7 C5 C6 C7 177.1(5) . . . . ?
N9 C5 C6 C7 -2.7(8) . . . . ?
N5 C6 C7 C8 3.4(8) . . . . ?
C5 C6 C7 C8 -177.8(5) . . . . ?
C6 C7 C8 C9 -2.2(8) . . . . ?
C7 C8 C9 C10 0.6(8) . . . . ?
C8 C9 C10 N5 0.0(8) . . . . ?
C9 C10 N5 C6 1.0(7) . . . . ?
C9 C10 N5 Ru 177.6(4) . . . . ?
C7 C6 N5 C10 -2.7(7) . . . . ?
C5 C6 N5 C10 178.3(4) . . . . ?
C7 C6 N5 Ru -179.7(4) . . . . ?
C5 C6 N5 Ru 1.3(5) . . . . ?
N7 Ru N5 C10 -175.9(4) . . . . ?
N2 Ru N5 C10 164.1(8) . . . . ?
N1 Ru N5 C10 98.1(4) . . . . ?
N3 Ru N5 C10 1.3(4) . . . . ?
N4 Ru N5 C10 -76.7(4) . . . . ?
N7 Ru N5 C6 0.8(3) . . . . ?
N2 Ru N5 C6 -19.3(11) . . . . ?
N1 Ru N5 C6 -85.3(3) . . . . ?
N3 Ru N5 C6 177.9(3) . . . . ?
N4 Ru N5 C6 99.9(3) . . . . ?
N8 C2 C16 N71 -3.5(7) . . . . ?
N9 C2 C16 N71 175.4(5) . . . . ?
N8 C2 C16 C17 179.7(5) . . . . ?
N9 C2 C16 C17 -1.5(8) . . . . ?
N71 C16 C17 C18 -1.0(10) . . . . ?
C2 C16 C17 C18 175.7(6) . . . . ?
C16 C17 C18 C19 0.5(11) . . . . ?
C17 C18 C19 C20 1.2(12) . . . . ?
C18 C19 C20 N71 -2.7(12) . . . . ?
C17 C16 N71 C20 -0.3(8) . . . . ?
C2 C16 N71 C20 -177.1(5) . . . . ?
C19 C20 N71 C16 2.2(9) . . . . ?
N7 Ru N3 C30 132.9(16) . . . . ?
N2 Ru N3 C30 -77.3(4) . . . . ?
N1 Ru N3 C30 1.7(4) . . . . ?
N4 Ru N3 C30 -174.9(5) . . . . ?
N5 Ru N3 C30 100.1(4) . . . . ?
N7 Ru N3 C26 -50.5(18) . . . . ?
N2 Ru N3 C26 99.3(4) . . . . ?
N1 Ru N3 C26 178.3(3) . . . . ?
N4 Ru N3 C26 1.7(3) . . . . ?
N5 Ru N3 C26 -83.3(4) . . . . ?
C30 N3 C26 C27 -0.4(7) . . . . ?
Ru N3 C26 C27 -177.3(4) . . . . ?
C30 N3 C26 C36 177.4(4) . . . . ?
Ru N3 C26 C36 0.5(5) . . . . ?
N3 C26 C27 C28 0.7(9) . . . . ?
C36 C26 C27 C28 -176.9(6) . . . . ?
C26 C27 C28 C29 -0.6(10) . . . . ?
C27 C28 C29 C30 0.3(10) . . . . ?
C26 N3 C30 C29 0.1(8) . . . . ?
Ru N3 C30 C29 176.6(4) . . . . ?
C28 C29 C30 N3 0.0(10) . . . . ?
N7 Ru N4 C40 -5.7(4) . . . . ?
N2 Ru N4 C40 89.3(4) . . . . ?
N1 Ru N4 C40 148.1(12) . . . . ?
N3 Ru N4 C40 178.5(4) . . . . ?
N5 Ru N4 C40 -82.9(4) . . . . ?
N7 Ru N4 C36 172.2(3) . . . . ?
N2 Ru N4 C36 -92.8(3) . . . . ?
N1 Ru N4 C36 -34.1(14) . . . . ?
N3 Ru N4 C36 -3.7(3) . . . . ?
N5 Ru N4 C36 95.0(3) . . . . ?
C40 N4 C36 C37 3.7(7) . . . . ?
Ru N4 C36 C37 -174.3(4) . . . . ?
C40 N4 C36 C26 -176.9(4) . . . . ?
Ru N4 C36 C26 5.1(5) . . . . ?
N3 C26 C36 N4 -3.6(6) . . . . ?
C27 C26 C36 N4 174.0(5) . . . . ?
N3 C26 C36 C37 175.7(5) . . . . ?
C27 C26 C36 C37 -6.6(8) . . . . ?
N4 C36 C37 C38 -3.7(9) . . . . ?
C26 C36 C37 C38 177.0(5) . . . . ?
C36 C37 C38 C39 2.0(9) . . . . ?
C37 C38 C39 C40 -0.5(9) . . . . ?
C36 N4 C40 C39 -2.1(7) . . . . ?
Ru N4 C40 C39 175.7(4) . . . . ?
C38 C39 C40 N4 0.5(8) . . . . ?
N7 Ru N1 C50 -88.3(4) . . . . ?
N2 Ru N1 C50 177.4(5) . . . . ?
N3 Ru N1 C50 87.8(4) . . . . ?
N4 Ru N1 C50 117.7(12) . . . . ?
N5 Ru N1 C50 -10.9(4) . . . . ?
N7 Ru N1 C46 92.2(3) . . . . ?
N2 Ru N1 C46 -2.2(3) . . . . ?
N3 Ru N1 C46 -91.7(3) . . . . ?
N4 Ru N1 C46 -61.8(14) . . . . ?
N5 Ru N1 C46 169.5(3) . . . . ?
C50 N1 C46 C47 0.9(7) . . . . ?
Ru N1 C46 C47 -179.6(4) . . . . ?
C50 N1 C46 C56 -178.6(4) . . . . ?
Ru N1 C46 C56 1.0(5) . . . . ?
N1 C46 C47 C48 -1.7(8) . . . . ?
C56 C46 C47 C48 177.7(5) . . . . ?
C46 C47 C48 C49 1.3(8) . . . . ?
C46 C47 C48 C51 178.8(6) . . . . ?
C47 C48 C49 C50 -0.2(9) . . . . ?
C51 C48 C49 C50 -177.6(6) . . . . ?
C46 N1 C50 C49 0.3(8) . . . . ?
Ru N1 C50 C49 -179.2(4) . . . . ?
C48 C49 C50 N1 -0.6(9) . . . . ?
N7 Ru N2 C60 91.8(4) . . . . ?
N1 Ru N2 C60 178.8(4) . . . . ?
N3 Ru N2 C60 -85.5(4) . . . . ?
N4 Ru N2 C60 -7.0(4) . . . . ?
N5 Ru N2 C60 111.5(10) . . . . ?
N7 Ru N2 C56 -83.8(4) . . . . ?
N1 Ru N2 C56 3.1(3) . . . . ?
N3 Ru N2 C56 98.8(4) . . . . ?
N4 Ru N2 C56 177.3(3) . . . . ?
N5 Ru N2 C56 -64.2(10) . . . . ?
C60 N2 C56 C57 1.0(7) . . . . ?
Ru N2 C56 C57 177.0(4) . . . . ?
C60 N2 C56 C46 -179.5(4) . . . . ?
Ru N2 C56 C46 -3.5(5) . . . . ?
N1 C46 C56 N2 1.6(6) . . . . ?
C47 C46 C56 N2 -177.8(5) . . . . ?
N1 C46 C56 C57 -178.9(5) . . . . ?
C47 C46 C56 C57 1.7(8) . . . . ?
N2 C56 C57 C58 0.4(8) . . . . ?
C46 C56 C57 C58 -179.0(5) . . . . ?
C56 C57 C58 C59 -1.2(9) . . . . ?
C56 C57 C58 C61 178.7(6) . . . . ?
C57 C58 C59 C60 0.6(9) . . . . ?
C61 C58 C59 C60 -179.3(6) . . . . ?
C56 N2 C60 C59 -1.6(8) . . . . ?
Ru N2 C60 C59 -177.2(4) . . . . ?
C58 C59 C60 N2 0.8(9) . . . . ?
C80 C81 O82 C83 174.0(16) . . . . ?
C81 O82 C83 C84 -176.9(17) . . . . ?
