#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:00:33 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179772 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/68/7006875.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_7006875
loop_
_publ_author_name
'Slater, Jonathan W.'
'D'Alessandro, Deanna M'
'Keene, F. Richard'
'Steel, Peter J.'
_publ_section_title
;
 Metal-metal interactions in dinuclear ruthenium complexes containing
 bridging 4,5-di(2-pyridyl)imidazolates and related ligands.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1954
_journal_page_last               1962
_journal_paper_doi               10.1039/b514976m
_journal_year                    2006
_chemical_formula_moiety         'C53 H41 N12 Ru2, 3(F6 P), O'
_chemical_formula_sum            'C53 H41 F18 N12 O P3 Ru2'
_chemical_formula_weight         1499.03
_chemical_name_common            rac-9a
_chemical_name_systematic
;
rac-9a
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   14.0309(12)
_cell_length_b                   14.0309(12)
_cell_length_c                   54.000(10)
_cell_measurement_reflns_used    1887
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      14.74
_cell_measurement_theta_min      2.26
_cell_volume                     9207(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.2491
_diffrn_reflns_av_sigmaI/netI    0.5069
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       63
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_number            63993
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.674
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4476
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.605
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     822
_refine_ls_number_reflns         10749
_refine_ls_number_restraints     782
_refine_ls_restrained_S_all      0.602
_refine_ls_R_factor_all          0.1978
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                3315
_reflns_number_total             10749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514976m.txt
_cod_data_source_block           3jsc
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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_cell_volume        9206(2)
_cod_original_sg_symbol_H-M      P3(1)21
_cod_database_code               7006875
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
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
Ru1 Ru 0.09560(7) 0.35078(7) 0.872969(17) 0.0335(3) Uani 1 1 d . . .
Ru2 Ru 0.04117(7) 0.56753(7) 0.967019(17) 0.0335(3) Uani 1 1 d . . .
N1 N 0.0487(7) 0.4284(6) 0.89867(14) 0.024(2) Uani 1 1 d U . .
C2 C 0.0989(9) 0.4959(8) 0.91754(18) 0.026(3) Uani 1 1 d U . .
H2A H 0.1766 0.5375 0.9194 0.031 Uiso 1 1 calc R . .
N3 N 0.0291(7) 0.4988(6) 0.93331(14) 0.029(2) Uani 1 1 d U . .
C4 C -0.0773(9) 0.4296(8) 0.9250(2) 0.031(3) Uani 1 1 d U . .
C5 C -0.0676(8) 0.3818(8) 0.9023(2) 0.034(3) Uani 1 1 d U . .
N1' N -0.0746(6) 0.2691(6) 0.86790(15) 0.032(2) Uani 1 1 d U . .
C2' C -0.1329(9) 0.2987(9) 0.8831(2) 0.034(3) Uani 1 1 d U . .
C3' C -0.2502(9) 0.2554(10) 0.8793(2) 0.063(4) Uani 1 1 d U . .
H3'A H -0.2923 0.2735 0.8900 0.075 Uiso 1 1 calc R . .
C4' C -0.2971(10) 0.1865(11) 0.8592(2) 0.080(4) Uani 1 1 d U . .
H4'A H -0.3715 0.1639 0.8553 0.096 Uiso 1 1 calc R . .
C5' C -0.2421(9) 0.1477(10) 0.84409(19) 0.067(4) Uani 1 1 d U . .
H5'A H -0.2789 0.0933 0.8317 0.081 Uiso 1 1 calc R . .
C6' C -0.1285(9) 0.1955(9) 0.84867(18) 0.046(3) Uani 1 1 d U . .
H6'A H -0.0865 0.1765 0.8381 0.055 Uiso 1 1 calc R . .
N1" N -0.1304(6) 0.4748(7) 0.96258(16) 0.028(2) Uani 1 1 d U . .
C2" C -0.1635(10) 0.4189(9) 0.9411(2) 0.037(3) Uani 1 1 d U . .
C3" C -0.2786(9) 0.3620(9) 0.9354(2) 0.050(3) Uani 1 1 d U . .
H3"A H -0.3042 0.3244 0.9201 0.060 Uiso 1 1 calc R . .
C4" C -0.3509(9) 0.3618(10) 0.9520(2) 0.055(4) Uani 1 1 d U . .
H4"A H -0.4274 0.3214 0.9484 0.065 Uiso 1 1 calc R . .
C5" C -0.3176(9) 0.4176(9) 0.9737(2) 0.044(3) Uani 1 1 d U . .
H5"A H -0.3687 0.4197 0.9849 0.052 Uiso 1 1 calc R . .
C6" C -0.2021(9) 0.4734(8) 0.97906(19) 0.037(3) Uani 1 1 d U . .
H6"A H -0.1762 0.5098 0.9945 0.044 Uiso 1 1 calc R . .
N11 N 0.1415(7) 0.2773(7) 0.84593(16) 0.036(2) Uani 1 1 d U . .
C12 C 0.1607(9) 0.3219(9) 0.8230(2) 0.038(3) Uani 1 1 d U . .
C13 C 0.1978(11) 0.2827(9) 0.8034(2) 0.063(3) Uani 1 1 d U . .
H13A H 0.2089 0.3135 0.7872 0.075 Uiso 1 1 calc R . .
C14 C 0.2173(10) 0.1972(10) 0.8085(2) 0.063(3) Uani 1 1 d U . .
H14A H 0.2401 0.1675 0.7955 0.076 Uiso 1 1 calc R . .
C15 C 0.2044(10) 0.1540(10) 0.8321(2) 0.062(4) Uani 1 1 d U . .
H15A H 0.2222 0.0984 0.8356 0.074 Uiso 1 1 calc R . .
C16 C 0.1642(9) 0.1948(8) 0.8506(2) 0.046(3) Uani 1 1 d U . .
H16A H 0.1524 0.1643 0.8667 0.056 Uiso 1 1 calc R . .
N21 N 0.1070(6) 0.4412(7) 0.84264(16) 0.033(2) Uani 1 1 d U . .
C22 C 0.1347(9) 0.4094(8) 0.8205(2) 0.033(3) Uani 1 1 d U . .
C23 C 0.1477(9) 0.4671(9) 0.7985(2) 0.048(3) Uani 1 1 d U . .
H23A H 0.1720 0.4490 0.7838 0.057 Uiso 1 1 calc R . .
C24 C 0.1242(10) 0.5512(10) 0.7990(2) 0.063(4) Uani 1 1 d U . .
H24A H 0.1276 0.5885 0.7841 0.075 Uiso 1 1 calc R . .
C25 C 0.0962(10) 0.5823(9) 0.8204(2) 0.059(3) Uani 1 1 d U . .
H25A H 0.0828 0.6423 0.8206 0.070 Uiso 1 1 calc R . .
C26 C 0.0876(8) 0.5265(8) 0.8415(2) 0.044(3) Uani 1 1 d U . .
H26A H 0.0668 0.5482 0.8562 0.052 Uiso 1 1 calc R . .
N31 N 0.2590(7) 0.4424(7) 0.88393(17) 0.042(3) Uani 1 1 d U . .
C32 C 0.2857(9) 0.4124(10) 0.9054(2) 0.041(3) Uani 1 1 d U . .
C33 C 0.3866(8) 0.4706(9) 0.9164(2) 0.047(3) Uani 1 1 d U . .
H33A H 0.4049 0.4462 0.9311 0.057 Uiso 1 1 calc R . .
C34 C 0.4624(10) 0.5704(10) 0.9043(2) 0.059(4) Uani 1 1 d U . .
H34A H 0.5321 0.6169 0.9117 0.071 Uiso 1 1 calc R . .
C35 C 0.4368(10) 0.6008(10) 0.8821(2) 0.061(4) Uani 1 1 d U . .
H35A H 0.4906 0.6648 0.8737 0.074 Uiso 1 1 calc R . .
C36 C 0.3330(10) 0.5382(9) 0.8721(2) 0.059(4) Uani 1 1 d U . .
H36A H 0.3130 0.5607 0.8573 0.071 Uiso 1 1 calc R . .
N41 N 0.0988(7) 0.2609(7) 0.90267(16) 0.037(3) Uani 1 1 d U . .
C42 C 0.1973(9) 0.3063(9) 0.91598(19) 0.030(2) Uani 1 1 d U . .
C43 C 0.2034(10) 0.2528(9) 0.93623(19) 0.045(3) Uani 1 1 d U . .
H43A H 0.2712 0.2850 0.9450 0.054 Uiso 1 1 calc R . .
C44 C 0.1198(10) 0.1566(9) 0.9449(2) 0.049(3) Uani 1 1 d U . .
H44A H 0.1277 0.1229 0.9594 0.059 Uiso 1 1 calc R . .
C45 C 0.0209(10) 0.1090(10) 0.9316(2) 0.050(3) Uani 1 1 d U . .
H45A H -0.0401 0.0411 0.9368 0.060 Uiso 1 1 calc R . .
C46 C 0.0135(9) 0.1624(9) 0.9106(2) 0.043(3) Uani 1 1 d U . .
H46A H -0.0533 0.1294 0.9014 0.052 Uiso 1 1 calc R . .
N51 N 0.0494(6) 0.6194(7) 1.00291(15) 0.033(2) Uani 1 1 d U . .
C52 C 0.0580(8) 0.5544(9) 1.02043(19) 0.032(3) Uani 1 1 d U . .
C53 C 0.0745(9) 0.5858(9) 1.04633(18) 0.048(3) Uani 1 1 d U . .
H53A H 0.0828 0.5411 1.0583 0.058 Uiso 1 1 calc R . .
C54 C 0.0778(9) 0.6816(10) 1.0530(2) 0.052(3) Uani 1 1 d U . .
H54A H 0.0894 0.7039 1.0699 0.062 Uiso 1 1 calc R . .
C55 C 0.0646(9) 0.7461(9) 1.0357(2) 0.058(3) Uani 1 1 d U . .
H55A H 0.0647 0.8114 1.0404 0.069 Uiso 1 1 calc R . .
C56 C 0.0510(9) 0.7121(10) 1.0108(2) 0.048(3) Uani 1 1 d U . .
H56A H 0.0424 0.7568 0.9988 0.058 Uiso 1 1 calc R . .
N61 N 0.0407(7) 0.4390(8) 0.98637(15) 0.034(2) Uani 1 1 d U . .
C62 C 0.0496(8) 0.4540(10) 1.0115(2) 0.036(3) Uani 1 1 d U . .
C63 C 0.0462(9) 0.3706(10) 1.0268(2) 0.059(3) Uani 1 1 d U . .
H63A H 0.0564 0.3820 1.0442 0.071 Uiso 1 1 calc R . .
C64 C 0.0277(9) 0.2712(10) 1.0165(2) 0.065(4) Uani 1 1 d U . .
H64A H 0.0210 0.2134 1.0268 0.078 Uiso 1 1 calc R . .
C65 C 0.0194(9) 0.2579(10) 0.9908(2) 0.058(3) Uani 1 1 d U . .
H65A H 0.0109 0.1928 0.9833 0.069 Uiso 1 1 calc R . .
C66 C 0.0241(9) 0.3445(9) 0.9761(2) 0.052(3) Uani 1 1 d U . .
H66A H 0.0153 0.3353 0.9587 0.063 Uiso 1 1 calc R . .
N71 N 0.2082(6) 0.6622(7) 0.96194(15) 0.032(2) Uani 1 1 d U . .
C72 C 0.2395(9) 0.7470(10) 0.9462(2) 0.044(3) Uani 1 1 d U . .
C73 C 0.3477(10) 0.8085(9) 0.9375(2) 0.057(3) Uani 1 1 d U . .
H73A H 0.3708 0.8727 0.9278 0.069 Uiso 1 1 calc R . .
C74 C 0.4220(10) 0.7702(9) 0.9440(2) 0.060(3) Uani 1 1 d U . .
H74A H 0.4945 0.8066 0.9374 0.071 Uiso 1 1 calc R . .
C75 C 0.3905(10) 0.6832(9) 0.9592(2) 0.051(3) Uani 1 1 d U . .
H75A H 0.4396 0.6580 0.9637 0.061 Uiso 1 1 calc R . .
C76 C 0.2824(9) 0.6317(9) 0.9681(2) 0.040(3) Uani 1 1 d U . .
H76A H 0.2598 0.5715 0.9792 0.048 Uiso 1 1 calc R . .
N81 N 0.0557(7) 0.7025(7) 0.94918(15) 0.034(2) Uani 1 1 d U . .
C82 C 0.1551(10) 0.7783(9) 0.94059(19) 0.037(3) Uani 1 1 d U . .
C83 C 0.1721(10) 0.8699(9) 0.92591(18) 0.054(3) Uani 1 1 d U . .
H83A H 0.2423 0.9202 0.9192 0.065 Uiso 1 1 calc R . .
C84 C 0.0794(11) 0.8821(10) 0.9218(2) 0.060(4) Uani 1 1 d U . .
H84A H 0.0850 0.9394 0.9114 0.072 Uiso 1 1 calc R . .
C85 C -0.0150(10) 0.8133(10) 0.9325(2) 0.051(3) Uani 1 1 d U . .
H85A H -0.0756 0.8254 0.9309 0.061 Uiso 1 1 calc R . .
C86 C -0.0269(9) 0.7266(9) 0.9455(2) 0.048(3) Uani 1 1 d U . .
H86A H -0.0968 0.6789 0.9527 0.057 Uiso 1 1 calc R . .
P1 P 0.3888(3) 0.1372(3) 0.89259(7) 0.0548(11) Uani 1 1 d U . .
F11 F 0.3388(6) 0.1235(5) 0.91983(10) 0.082(2) Uani 1 1 d U . .
F12 F 0.3612(5) 0.2330(5) 0.88659(10) 0.0621(18) Uani 1 1 d U . .
F13 F 0.5060(5) 0.2302(6) 0.90238(14) 0.096(3) Uani 1 1 d U . .
F14 F 0.2725(5) 0.0468(5) 0.88158(11) 0.074(2) Uani 1 1 d U . .
F15 F 0.4413(5) 0.1537(6) 0.86603(12) 0.084(2) Uani 1 1 d U . .
F16 F 0.4176(6) 0.0452(6) 0.89979(12) 0.092(2) Uani 1 1 d U . .
P2 P -0.1400(3) 0.1199(3) 0.77337(8) 0.0639(12) Uani 1 1 d U . .
F21 F -0.1232(11) 0.1787(9) 0.74984(16) 0.229(5) Uani 1 1 d U . .
F22 F -0.1621(7) 0.0574(7) 0.79860(14) 0.133(3) Uani 1 1 d U . .
F23 F -0.2185(8) 0.0090(6) 0.76095(18) 0.169(4) Uani 1 1 d U . .
F24 F -0.0674(6) 0.2265(6) 0.78748(16) 0.139(3) Uani 1 1 d U . .
F25 F -0.0428(6) 0.0944(6) 0.77010(15) 0.107(3) Uani 1 1 d U . .
F26 F -0.2390(7) 0.1397(7) 0.77839(18) 0.160(4) Uani 1 1 d U . .
P3 P 0.3839(3) 0.3839(3) 1.0000 0.0524(14) Uani 1 2 d SU . .
F31 F 0.4977(6) 0.4977(6) 1.0000 0.104(4) Uani 1 2 d SU . .
F32 F 0.2716(5) 0.2716(5) 1.0000 0.059(3) Uani 1 2 d SU . .
F33 F 0.3315(5) 0.4401(5) 0.98311(12) 0.073(2) Uani 1 1 d U . .
F34 F 0.4208(5) 0.3464(5) 0.97561(11) 0.062(2) Uani 1 1 d U . .
P4 P -0.1140(4) 0.8860(4) 1.0000 0.0537(15) Uani 1 2 d SU . .
F41 F 0.0084(5) 0.9205(6) 0.99246(15) 0.111(3) Uani 1 1 d U . .
F42 F -0.1472(6) 0.7651(5) 0.99255(12) 0.082(2) Uani 1 1 d U . .
F43 F -0.1360(6) 0.9109(6) 0.97313(13) 0.107(3) Uani 1 1 d U . .
O1 O 0.104(3) 0.380(2) 0.7416(5) 0.075(10) Uani 0.25 1 d PU . .
O2 O 0.6198(14) 0.6623(13) 0.9637(3) 0.111(7) Uani 0.50 1 d PU . .
O3 O 0.358(3) -0.158(3) 0.8628(6) 0.113(14) Uani 0.25 1 d PU . .
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'
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'
O O 0.0106 0.0060 '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
N21 Ru1 N41 174.3(4) . . ?
N21 Ru1 N1 99.2(3) . . ?
N41 Ru1 N1 84.8(3) . . ?
N21 Ru1 N11 78.2(3) . . ?
N41 Ru1 N11 97.9(3) . . ?
N1 Ru1 N11 177.3(3) . . ?
N21 Ru1 N31 97.2(3) . . ?
N41 Ru1 N31 78.5(4) . . ?
N1 Ru1 N31 91.5(3) . . ?
N11 Ru1 N31 89.3(3) . . ?
N21 Ru1 N1' 87.0(3) . . ?
N41 Ru1 N1' 97.8(3) . . ?
N1 Ru1 N1' 78.4(3) . . ?
N11 Ru1 N1' 100.9(3) . . ?
N31 Ru1 N1' 169.6(4) . . ?
N3 Ru2 N81 87.9(3) . . ?
N3 Ru2 N51 173.1(3) . . ?
N81 Ru2 N51 98.9(3) . . ?
N3 Ru2 N71 89.1(3) . . ?
N81 Ru2 N71 77.6(4) . . ?
N51 Ru2 N71 93.0(3) . . ?
N3 Ru2 N61 94.3(3) . . ?
N81 Ru2 N61 174.9(4) . . ?
N51 Ru2 N61 78.9(3) . . ?
N71 Ru2 N61 97.8(3) . . ?
N3 Ru2 N1" 78.8(4) . . ?
N81 Ru2 N1" 94.2(3) . . ?
N51 Ru2 N1" 99.9(3) . . ?
N71 Ru2 N1" 165.7(3) . . ?
N61 Ru2 N1" 90.8(3) . . ?
C2 N1 C5 107.1(8) . . ?
C2 N1 Ru1 134.2(7) . . ?
C5 N1 Ru1 116.3(7) . . ?
N3 C2 N1 112.5(10) . . ?
N3 C2 H2A 123.8 . . ?
N1 C2 H2A 123.8 . . ?
C2 N3 C4 109.2(9) . . ?
C2 N3 Ru2 135.3(8) . . ?
C4 N3 Ru2 115.3(7) . . ?
N3 C4 C2" 115.9(11) . . ?
N3 C4 C5 106.4(9) . . ?
C2" C4 C5 137.6(11) . . ?
C4 C5 N1 104.9(9) . . ?
C4 C5 C2' 142.9(10) . . ?
N1 C5 C2' 112.0(10) . . ?
C2' N1' C6' 119.3(9) . . ?
C2' N1' Ru1 116.8(7) . . ?
C6' N1' Ru1 123.6(7) . . ?
N1' C2' C3' 120.9(10) . . ?
N1' C2' C5 115.6(10) . . ?
C3' C2' C5 123.4(10) . . ?
C4' C3' C2' 116.5(11) . . ?
C4' C3' H3'A 121.7 . . ?
C2' C3' H3'A 121.7 . . ?
C3' C4' C5' 124.4(12) . . ?
C3' C4' H4'A 117.8 . . ?
C5' C4' H4'A 117.8 . . ?
C4' C5' C6' 115.1(11) . . ?
C4' C5' H5'A 122.5 . . ?
C6' C5' H5'A 122.5 . . ?
N1' C6' C5' 123.4(10) . . ?
N1' C6' H6'A 118.3 . . ?
C5' C6' H6'A 118.3 . . ?
C6" N1" C2" 121.9(10) . . ?
C6" N1" Ru2 123.7(8) . . ?
C2" N1" Ru2 114.4(8) . . ?
N1" C2" C4 115.6(11) . . ?
N1" C2" C3" 118.2(11) . . ?
C4 C2" C3" 126.0(12) . . ?
C4" C3" C2" 119.7(12) . . ?
C4" C3" H3"A 120.2 . . ?
C2" C3" H3"A 120.2 . . ?
C3" C4" C5" 122.0(12) . . ?
C3" C4" H4"A 119.0 . . ?
C5" C4" H4"A 119.0 . . ?
C4" C5" C6" 117.3(11) . . ?
C4" C5" H5"A 121.4 . . ?
C6" C5" H5"A 121.4 . . ?
N1" C6" C5" 120.8(10) . . ?
N1" C6" H6"A 119.6 . . ?
C5" C6" H6"A 119.6 . . ?
C12 N11 C16 118.8(9) . . ?
C12 N11 Ru1 117.1(7) . . ?
C16 N11 Ru1 123.7(8) . . ?
N11 C12 C13 122.4(10) . . ?
N11 C12 C22 113.7(10) . . ?
C13 C12 C22 123.8(11) . . ?
C14 C13 C12 117.2(11) . . ?
C14 C13 H13A 121.4 . . ?
C12 C13 H13A 121.4 . . ?
C15 C14 C13 121.7(12) . . ?
C15 C14 H14A 119.1 . . ?
C13 C14 H14A 119.1 . . ?
C14 C15 C16 117.9(12) . . ?
C14 C15 H15A 121.0 . . ?
C16 C15 H15A 121.0 . . ?
N11 C16 C15 121.7(11) . . ?
N11 C16 H16A 119.1 . . ?
C15 C16 H16A 119.1 . . ?
C26 N21 C22 116.9(10) . . ?
C26 N21 Ru1 127.1(8) . . ?
C22 N21 Ru1 116.0(7) . . ?
C23 C22 N21 121.3(10) . . ?
C23 C22 C12 123.7(11) . . ?
N21 C22 C12 114.6(11) . . ?
C24 C23 C22 117.6(12) . . ?
C24 C23 H23A 121.2 . . ?
C22 C23 H23A 121.2 . . ?
C25 C24 C23 121.6(13) . . ?
C25 C24 H24A 119.2 . . ?
C23 C24 H24A 119.2 . . ?
C26 C25 C24 119.0(13) . . ?
C26 C25 H25A 120.5 . . ?
C24 C25 H25A 120.5 . . ?
C25 C26 N21 123.6(11) . . ?
C25 C26 H26A 118.2 . . ?
N21 C26 H26A 118.2 . . ?
C32 N31 C36 120.8(11) . . ?
C32 N31 Ru1 116.4(8) . . ?
C36 N31 Ru1 122.2(8) . . ?
N31 C32 C33 123.6(12) . . ?
N31 C32 C42 114.7(11) . . ?
C33 C32 C42 121.7(12) . . ?
C32 C33 C34 115.4(11) . . ?
C32 C33 H33A 122.3 . . ?
C34 C33 H33A 122.3 . . ?
C35 C34 C33 121.4(12) . . ?
C35 C34 H34A 119.3 . . ?
C33 C34 H34A 119.3 . . ?
C36 C35 C34 119.9(13) . . ?
C36 C35 H35A 120.1 . . ?
C34 C35 H35A 120.1 . . ?
N31 C36 C35 118.7(12) . . ?
N31 C36 H36A 120.6 . . ?
C35 C36 H36A 120.6 . . ?
C46 N41 C42 117.9(10) . . ?
C46 N41 Ru1 125.9(8) . . ?
C42 N41 Ru1 116.2(7) . . ?
C43 C42 N41 119.1(11) . . ?
C43 C42 C32 127.6(12) . . ?
N41 C42 C32 113.4(10) . . ?
C42 C43 C44 124.6(12) . . ?
C42 C43 H43A 117.7 . . ?
C44 C43 H43A 117.7 . . ?
C43 C44 C45 117.1(12) . . ?
C43 C44 H44A 121.4 . . ?
C45 C44 H44A 121.4 . . ?
C46 C45 C44 119.0(12) . . ?
C46 C45 H45A 120.5 . . ?
C44 C45 H45A 120.5 . . ?
N41 C46 C45 122.3(12) . . ?
N41 C46 H46A 118.8 . . ?
C45 C46 H46A 118.8 . . ?
C56 N51 C52 117.2(9) . . ?
C56 N51 Ru2 127.4(8) . . ?
C52 N51 Ru2 115.3(7) . . ?
N51 C52 C62 115.6(10) . . ?
N51 C52 C53 121.4(10) . . ?
C62 C52 C53 123.0(11) . . ?
C54 C53 C52 118.4(11) . . ?
C54 C53 H53A 120.8 . . ?
C52 C53 H53A 120.8 . . ?
C53 C54 C55 121.0(12) . . ?
C53 C54 H54A 119.5 . . ?
C55 C54 H54A 119.5 . . ?
C54 C55 C56 117.8(12) . . ?
C54 C55 H55A 121.1 . . ?
C56 C55 H55A 121.1 . . ?
N51 C56 C55 124.1(11) . . ?
N51 C56 H56A 118.0 . . ?
C55 C56 H56A 118.0 . . ?
C66 N61 C62 121.0(10) . . ?
C66 N61 Ru2 124.9(8) . . ?
C62 N61 Ru2 113.9(8) . . ?
N61 C62 C63 119.5(11) . . ?
N61 C62 C52 116.1(11) . . ?
C63 C62 C52 124.4(11) . . ?
C64 C63 C62 120.0(12) . . ?
C64 C63 H63A 120.0 . . ?
C62 C63 H63A 120.0 . . ?
C65 C64 C63 119.5(12) . . ?
C65 C64 H64A 120.3 . . ?
C63 C64 H64A 120.3 . . ?
C64 C65 C66 118.1(13) . . ?
C64 C65 H65A 120.9 . . ?
C66 C65 H65A 120.9 . . ?
N61 C66 C65 121.7(12) . . ?
N61 C66 H66A 119.2 . . ?
C65 C66 H66A 119.2 . . ?
C72 N71 C76 118.2(10) . . ?
C72 N71 Ru2 114.8(7) . . ?
C76 N71 Ru2 125.0(8) . . ?
N71 C72 C73 122.2(11) . . ?
N71 C72 C82 115.8(10) . . ?
C73 C72 C82 121.8(11) . . ?
C72 C73 C74 117.0(11) . . ?
C72 C73 H73A 121.5 . . ?
C74 C73 H73A 121.5 . . ?
C75 C74 C73 121.1(12) . . ?
C75 C74 H74A 119.4 . . ?
C73 C74 H74A 119.4 . . ?
C74 C75 C76 117.1(12) . . ?
C74 C75 H75A 121.4 . . ?
C76 C75 H75A 121.4 . . ?
N71 C76 C75 124.1(11) . . ?
N71 C76 H76A 118.0 . . ?
C75 C76 H76A 118.0 . . ?
C82 N81 C86 115.2(10) . . ?
C82 N81 Ru2 118.6(8) . . ?
C86 N81 Ru2 126.2(8) . . ?
N81 C82 C83 123.0(11) . . ?
N81 C82 C72 111.1(10) . . ?
C83 C82 C72 125.6(12) . . ?
C84 C83 C82 116.6(12) . . ?
C84 C83 H83A 121.7 . . ?
C82 C83 H83A 121.7 . . ?
C85 C84 C83 119.5(13) . . ?
C85 C84 H84A 120.3 . . ?
C83 C84 H84A 120.3 . . ?
C84 C85 C86 121.1(13) . . ?
C84 C85 H85A 119.4 . . ?
C86 C85 H85A 119.5 . . ?
C85 C86 N81 124.0(12) . . ?
C85 C86 H86A 118.0 . . ?
N81 C86 H86A 118.0 . . ?
F15 P1 F16 93.1(4) . . ?
F15 P1 F13 88.1(4) . . ?
F16 P1 F13 90.4(4) . . ?
F15 P1 F14 89.7(4) . . ?
F16 P1 F14 91.2(4) . . ?
F13 P1 F14 177.4(4) . . ?
F15 P1 F11 178.3(5) . . ?
F16 P1 F11 87.3(4) . . ?
F13 P1 F11 90.3(4) . . ?
F14 P1 F11 91.9(4) . . ?
F15 P1 F12 89.0(4) . . ?
F16 P1 F12 177.3(4) . . ?
F13 P1 F12 87.9(4) . . ?
F14 P1 F12 90.6(4) . . ?
F11 P1 F12 90.6(4) . . ?
F21 P2 F24 92.4(6) . . ?
F21 P2 F23 91.4(6) . . ?
F24 P2 F23 175.6(6) . . ?
F21 P2 F22 177.9(7) . . ?
F24 P2 F22 87.9(5) . . ?
F23 P2 F22 88.3(5) . . ?
F21 P2 F26 87.7(6) . . ?
F24 P2 F26 87.6(5) . . ?
F23 P2 F26 90.3(5) . . ?
F22 P2 F26 90.2(6) . . ?
F21 P2 F25 96.6(6) . . ?
F24 P2 F25 92.8(4) . . ?
F23 P2 F25 89.1(5) . . ?
F22 P2 F25 85.5(4) . . ?
F26 P2 F25 175.7(6) . . ?
F32 P3 F34 89.9(3) . 4_557 ?
F32 P3 F34 89.9(3) . . ?
F34 P3 F34 179.7(6) 4_557 . ?
F32 P3 F31 180.0(7) . . ?
F34 P3 F31 90.1(3) 4_557 . ?
F34 P3 F31 90.1(3) . . ?
F32 P3 F33 91.0(3) . 4_557 ?
F34 P3 F33 89.8(3) 4_557 4_557 ?
F34 P3 F33 90.2(3) . 4_557 ?
F31 P3 F33 89.0(3) . 4_557 ?
F32 P3 F33 91.0(3) . . ?
F34 P3 F33 90.2(3) 4_557 . ?
F34 P3 F33 89.8(3) . . ?
F31 P3 F33 89.0(3) . . ?
F33 P3 F33 178.1(6) 4_557 . ?
F43 P4 F43 178.5(8) 4_467 . ?
F43 P4 F42 91.1(4) 4_467 4_467 ?
F43 P4 F42 89.9(4) . 4_467 ?
F43 P4 F42 89.9(4) 4_467 . ?
F43 P4 F42 91.1(4) . . ?
F42 P4 F42 93.0(6) 4_467 . ?
F43 P4 F41 89.9(4) 4_467 4_467 ?
F43 P4 F41 89.1(4) . 4_467 ?
F42 P4 F41 87.4(4) 4_467 4_467 ?
F42 P4 F41 179.6(5) . 4_467 ?
F43 P4 F41 89.1(4) 4_467 . ?
F43 P4 F41 89.9(4) . . ?
F42 P4 F41 179.6(5) 4_467 . ?
F42 P4 F41 87.4(4) . . ?
F41 P4 F41 92.2(6) 4_467 . ?
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 N21 2.029(8) . ?
Ru1 N41 2.055(8) . ?
Ru1 N1 2.064(7) . ?
Ru1 N11 2.067(8) . ?
Ru1 N31 2.077(9) . ?
Ru1 N1' 2.087(8) . ?
Ru2 N3 2.027(8) . ?
Ru2 N81 2.043(8) . ?
Ru2 N51 2.053(8) . ?
Ru2 N71 2.054(8) . ?
Ru2 N61 2.081(8) . ?
Ru2 N1" 2.101(8) . ?
N1 C2 1.329(11) . ?
N1 C5 1.437(11) . ?
C2 N3 1.313(10) . ?
C2 H2A 0.9500 . ?
N3 C4 1.386(11) . ?
C4 C2" 1.432(13) . ?
C4 C5 1.436(12) . ?
C5 C2' 1.487(13) . ?
N1' C2' 1.362(11) . ?
N1' C6' 1.390(11) . ?
C2' C3' 1.456(13) . ?
C3' C4' 1.381(14) . ?
C3' H3'A 0.9500 . ?
C4' C5' 1.406(13) . ?
C4' H4'A 0.9500 . ?
C5' C6' 1.408(13) . ?
C5' H5'A 0.9500 . ?
C6' H6'A 0.9500 . ?
N1" C6" 1.336(11) . ?
N1" C2" 1.348(12) . ?
C2" C3" 1.432(13) . ?
C3" C4" 1.354(13) . ?
C3" H3"A 0.9500 . ?
C4" C5" 1.356(13) . ?
C4" H4"A 0.9500 . ?
C5" C6" 1.433(12) . ?
C5" H5"A 0.9500 . ?
C6" H6"A 0.9500 . ?
N11 C12 1.351(11) . ?
N11 C16 1.369(11) . ?
C12 C13 1.410(12) . ?
C12 C22 1.452(13) . ?
C13 C14 1.386(13) . ?
C13 H13A 0.9500 . ?
C14 C15 1.380(13) . ?
C14 H14A 0.9500 . ?
C15 C16 1.401(13) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
N21 C26 1.355(10) . ?
N21 C22 1.397(12) . ?
C22 C23 1.396(13) . ?
C23 C24 1.375(13) . ?
C23 H23A 0.9500 . ?
C24 C25 1.361(13) . ?
C24 H24A 0.9500 . ?
C25 C26 1.350(12) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
N31 C32 1.349(12) . ?
N31 C36 1.377(12) . ?
C32 C33 1.368(12) . ?
C32 C42 1.495(13) . ?
C33 C34 1.424(13) . ?
C33 H33A 0.9500 . ?
C34 C35 1.381(14) . ?
C34 H34A 0.9500 . ?
C35 C36 1.380(14) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
N41 C46 1.367(12) . ?
N41 C42 1.397(11) . ?
C42 C43 1.353(12) . ?
C43 C44 1.354(13) . ?
C43 H43A 0.9500 . ?
C44 C45 1.400(13) . ?
C44 H44A 0.9500 . ?
C45 C46 1.392(13) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
N51 C56 1.360(12) . ?
N51 C52 1.360(11) . ?
C52 C62 1.438(13) . ?
C52 C53 1.450(12) . ?
C53 C54 1.371(13) . ?
C53 H53A 0.9500 . ?
C54 C55 1.377(13) . ?
C54 H54A 0.9500 . ?
C55 C56 1.406(12) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
N61 C66 1.346(12) . ?
N61 C62 1.368(11) . ?
C62 C63 1.415(13) . ?
C63 C64 1.402(14) . ?
C63 H63A 0.9500 . ?
C64 C65 1.397(14) . ?
C64 H64A 0.9500 . ?
C65 C66 1.423(13) . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
N71 C72 1.343(12) . ?
N71 C76 1.351(11) . ?
C72 C73 1.399(14) . ?
C72 C82 1.487(14) . ?
C73 C74 1.434(14) . ?
C73 H73A 0.9500 . ?
C74 C75 1.350(13) . ?
C74 H74A 0.9500 . ?
C75 C76 1.399(13) . ?
C75 H75A 0.9500 . ?
C76 H76A 0.9500 . ?
N81 C82 1.345(12) . ?
N81 C86 1.373(11) . ?
C82 C83 1.424(13) . ?
C83 C84 1.411(14) . ?
C83 H83A 0.9500 . ?
C84 C85 1.320(14) . ?
C84 H84A 0.9500 . ?
C85 C86 1.343(13) . ?
C85 H85A 0.9500 . ?
C86 H86A 0.9500 . ?
P1 F15 1.575(6) . ?
P1 F16 1.581(6) . ?
P1 F13 1.594(7) . ?
P1 F14 1.599(6) . ?
P1 F11 1.600(6) . ?
P1 F12 1.607(6) . ?
P2 F21 1.468(8) . ?
P2 F24 1.526(7) . ?
P2 F23 1.541(7) . ?
P2 F22 1.566(7) . ?
P2 F26 1.569(8) . ?
P2 F25 1.585(8) . ?
P3 F32 1.575(9) . ?
P3 F34 1.597(6) 4_557 ?
P3 F34 1.597(6) . ?
P3 F31 1.598(9) . ?
P3 F33 1.604(6) 4_557 ?
P3 F33 1.604(6) . ?
P4 F43 1.559(7) 4_467 ?
P4 F43 1.559(7) . ?
P4 F42 1.570(6) 4_467 ?
P4 F42 1.570(6) . ?
P4 F41 1.586(7) 4_467 ?
P4 F41 1.586(7) . ?
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
N21 Ru1 N1 C2 -107.6(9) . . . . ?
N41 Ru1 N1 C2 68.3(9) . . . . ?
N11 Ru1 N1 C2 -116(7) . . . . ?
N31 Ru1 N1 C2 -10.0(9) . . . . ?
N1' Ru1 N1 C2 167.4(10) . . . . ?
N21 Ru1 N1 C5 92.7(7) . . . . ?
N41 Ru1 N1 C5 -91.4(7) . . . . ?
N11 Ru1 N1 C5 84(7) . . . . ?
N31 Ru1 N1 C5 -169.8(7) . . . . ?
N1' Ru1 N1 C5 7.6(7) . . . . ?
C5 N1 C2 N3 0.4(11) . . . . ?
Ru1 N1 C2 N3 -160.6(7) . . . . ?
N1 C2 N3 C4 -0.5(12) . . . . ?
N1 C2 N3 Ru2 172.9(6) . . . . ?
N81 Ru2 N3 C2 91.5(10) . . . . ?
N51 Ru2 N3 C2 -94(3) . . . . ?
N71 Ru2 N3 C2 13.9(10) . . . . ?
N61 Ru2 N3 C2 -83.9(10) . . . . ?
N1" Ru2 N3 C2 -173.9(10) . . . . ?
N81 Ru2 N3 C4 -95.4(7) . . . . ?
N51 Ru2 N3 C4 79(3) . . . . ?
N71 Ru2 N3 C4 -173.0(7) . . . . ?
N61 Ru2 N3 C4 89.2(7) . . . . ?
N1" Ru2 N3 C4 -0.8(7) . . . . ?
C2 N3 C4 C2" 176.6(9) . . . . ?
Ru2 N3 C4 C2" 1.7(12) . . . . ?
C2 N3 C4 C5 0.4(11) . . . . ?
Ru2 N3 C4 C5 -174.5(6) . . . . ?
N3 C4 C5 N1 -0.1(10) . . . . ?
C2" C4 C5 N1 -175.1(12) . . . . ?
N3 C4 C5 C2' 173.8(13) . . . . ?
C2" C4 C5 C2' -1(3) . . . . ?
C2 N1 C5 C4 -0.2(10) . . . . ?
Ru1 N1 C5 C4 164.8(6) . . . . ?
C2 N1 C5 C2' -176.2(8) . . . . ?
Ru1 N1 C5 C2' -11.3(11) . . . . ?
N21 Ru1 N1' C2' -102.3(7) . . . . ?
N41 Ru1 N1' C2' 80.7(7) . . . . ?
N1 Ru1 N1' C2' -2.3(7) . . . . ?
N11 Ru1 N1' C2' -179.7(7) . . . . ?
N31 Ru1 N1' C2' 12(2) . . . . ?
N21 Ru1 N1' C6' 71.3(8) . . . . ?
N41 Ru1 N1' C6' -105.7(8) . . . . ?
N1 Ru1 N1' C6' 171.3(8) . . . . ?
N11 Ru1 N1' C6' -6.0(8) . . . . ?
N31 Ru1 N1' C6' -174.2(16) . . . . ?
C6' N1' C2' C3' -0.7(15) . . . . ?
Ru1 N1' C2' C3' 173.2(8) . . . . ?
C6' N1' C2' C5 -177.1(9) . . . . ?
Ru1 N1' C2' C5 -3.2(12) . . . . ?
C4 C5 C2' N1' -164.4(13) . . . . ?
N1 C5 C2' N1' 9.3(13) . . . . ?
C4 C5 C2' C3' 19(2) . . . . ?
N1 C5 C2' C3' -167.0(10) . . . . ?
N1' C2' C3' C4' -2.0(17) . . . . ?
C5 C2' C3' C4' 174.1(11) . . . . ?
C2' C3' C4' C5' 7(2) . . . . ?
C3' C4' C5' C6' -8(2) . . . . ?
C2' N1' C6' C5' -0.9(16) . . . . ?
Ru1 N1' C6' C5' -174.4(9) . . . . ?
C4' C5' C6' N1' 5.1(17) . . . . ?
N3 Ru2 N1" C6" -177.9(9) . . . . ?
N81 Ru2 N1" C6" -90.9(9) . . . . ?
N51 Ru2 N1" C6" 8.9(9) . . . . ?
N71 Ru2 N1" C6" -145.0(13) . . . . ?
N61 Ru2 N1" C6" 87.8(8) . . . . ?
N3 Ru2 N1" C2" -0.3(7) . . . . ?
N81 Ru2 N1" C2" 86.7(8) . . . . ?
N51 Ru2 N1" C2" -173.5(8) . . . . ?
N71 Ru2 N1" C2" 32.7(17) . . . . ?
N61 Ru2 N1" C2" -94.5(8) . . . . ?
C6" N1" C2" C4 179.0(9) . . . . ?
Ru2 N1" C2" C4 1.3(12) . . . . ?
C6" N1" C2" C3" 3.5(16) . . . . ?
Ru2 N1" C2" C3" -174.1(8) . . . . ?
N3 C4 C2" N1" -2.0(15) . . . . ?
C5 C4 C2" N1" 172.6(11) . . . . ?
N3 C4 C2" C3" 173.0(10) . . . . ?
C5 C4 C2" C3" -12(2) . . . . ?
N1" C2" C3" C4" -2.7(18) . . . . ?
C4 C2" C3" C4" -177.6(11) . . . . ?
C2" C3" C4" C5" 2(2) . . . . ?
C3" C4" C5" C6" -2.9(19) . . . . ?
C2" N1" C6" C5" -4.1(16) . . . . ?
Ru2 N1" C6" C5" 173.4(7) . . . . ?
C4" C5" C6" N1" 3.6(16) . . . . ?
N21 Ru1 N11 C12 2.5(8) . . . . ?
N41 Ru1 N11 C12 -173.3(8) . . . . ?
N1 Ru1 N11 C12 11(8) . . . . ?
N31 Ru1 N11 C12 -95.0(8) . . . . ?
N1' Ru1 N11 C12 87.1(8) . . . . ?
N21 Ru1 N11 C16 175.5(9) . . . . ?
N41 Ru1 N11 C16 -0.4(9) . . . . ?
N1 Ru1 N11 C16 -176(7) . . . . ?
N31 Ru1 N11 C16 78.0(9) . . . . ?
N1' Ru1 N11 C16 -99.9(8) . . . . ?
C16 N11 C12 C13 3.5(17) . . . . ?
Ru1 N11 C12 C13 176.8(9) . . . . ?
C16 N11 C12 C22 -179.3(9) . . . . ?
Ru1 N11 C12 C22 -6.0(13) . . . . ?
N11 C12 C13 C14 -1.8(19) . . . . ?
C22 C12 C13 C14 -178.8(11) . . . . ?
C12 C13 C14 C15 -2(2) . . . . ?
C13 C14 C15 C16 4(2) . . . . ?
C12 N11 C16 C15 -1.4(16) . . . . ?
Ru1 N11 C16 C15 -174.3(8) . . . . ?
C14 C15 C16 N11 -2.1(18) . . . . ?
N41 Ru1 N21 C26 -134(3) . . . . ?
N1 Ru1 N21 C26 -0.1(9) . . . . ?
N11 Ru1 N21 C26 179.5(9) . . . . ?
N31 Ru1 N21 C26 -92.8(9) . . . . ?
N1' Ru1 N21 C26 77.7(9) . . . . ?
N41 Ru1 N21 C22 48(4) . . . . ?
N1 Ru1 N21 C22 -178.0(7) . . . . ?
N11 Ru1 N21 C22 1.6(7) . . . . ?
N31 Ru1 N21 C22 89.3(7) . . . . ?
N1' Ru1 N21 C22 -100.2(7) . . . . ?
C26 N21 C22 C23 3.6(15) . . . . ?
Ru1 N21 C22 C23 -178.3(8) . . . . ?
C26 N21 C22 C12 176.7(9) . . . . ?
Ru1 N21 C22 C12 -5.2(12) . . . . ?
N11 C12 C22 C23 -179.9(10) . . . . ?
C13 C12 C22 C23 -2.7(19) . . . . ?
N11 C12 C22 N21 7.2(15) . . . . ?
C13 C12 C22 N21 -175.6(10) . . . . ?
N21 C22 C23 C24 -4.9(17) . . . . ?
C12 C22 C23 C24 -177.3(11) . . . . ?
C22 C23 C24 C25 4.2(19) . . . . ?
C23 C24 C25 C26 -2(2) . . . . ?
C24 C25 C26 N21 1.0(19) . . . . ?
C22 N21 C26 C25 -1.6(16) . . . . ?
Ru1 N21 C26 C25 -179.4(9) . . . . ?
N21 Ru1 N31 C32 175.6(8) . . . . ?
N41 Ru1 N31 C32 -8.2(8) . . . . ?
N1 Ru1 N31 C32 76.2(8) . . . . ?
N11 Ru1 N31 C32 -106.4(8) . . . . ?
N1' Ru1 N31 C32 62(2) . . . . ?
N21 Ru1 N31 C36 4.9(9) . . . . ?
N41 Ru1 N31 C36 -178.9(9) . . . . ?
N1 Ru1 N31 C36 -94.6(8) . . . . ?
N11 Ru1 N31 C36 82.8(9) . . . . ?
N1' Ru1 N31 C36 -108.8(19) . . . . ?
C36 N31 C32 C33 -2.4(18) . . . . ?
Ru1 N31 C32 C33 -173.3(9) . . . . ?
C36 N31 C32 C42 -179.7(9) . . . . ?
Ru1 N31 C32 C42 9.5(13) . . . . ?
N31 C32 C33 C34 3.1(18) . . . . ?
C42 C32 C33 C34 -179.8(10) . . . . ?
C32 C33 C34 C35 -4.3(18) . . . . ?
C33 C34 C35 C36 5(2) . . . . ?
C32 N31 C36 C35 2.6(17) . . . . ?
Ru1 N31 C36 C35 172.9(9) . . . . ?
C34 C35 C36 N31 -3.8(19) . . . . ?
N21 Ru1 N41 C46 -134(3) . . . . ?
N1 Ru1 N41 C46 92.0(9) . . . . ?
N11 Ru1 N41 C46 -87.8(9) . . . . ?
N31 Ru1 N41 C46 -175.5(9) . . . . ?
N1' Ru1 N41 C46 14.4(9) . . . . ?
N21 Ru1 N41 C42 47(4) . . . . ?
N1 Ru1 N41 C42 -87.2(7) . . . . ?
N11 Ru1 N41 C42 93.0(7) . . . . ?
N31 Ru1 N41 C42 5.3(7) . . . . ?
N1' Ru1 N41 C42 -164.8(7) . . . . ?
C46 N41 C42 C43 -1.4(15) . . . . ?
Ru1 N41 C42 C43 177.9(7) . . . . ?
C46 N41 C42 C32 178.6(9) . . . . ?
Ru1 N41 C42 C32 -2.1(11) . . . . ?
N31 C32 C42 C43 175.2(10) . . . . ?
C33 C32 C42 C43 -2.1(19) . . . . ?
N31 C32 C42 N41 -4.8(14) . . . . ?
C33 C32 C42 N41 177.9(10) . . . . ?
N41 C42 C43 C44 -0.2(17) . . . . ?
C32 C42 C43 C44 179.8(11) . . . . ?
C42 C43 C44 C45 1.2(18) . . . . ?
C43 C44 C45 C46 -0.6(17) . . . . ?
C42 N41 C46 C45 2.0(16) . . . . ?
Ru1 N41 C46 C45 -177.2(8) . . . . ?
C44 C45 C46 N41 -1.0(17) . . . . ?
N3 Ru2 N51 C56 -167(3) . . . . ?
N81 Ru2 N51 C56 6.6(9) . . . . ?
N71 Ru2 N51 C56 84.5(9) . . . . ?
N61 Ru2 N51 C56 -178.2(9) . . . . ?
N1" Ru2 N51 C56 -89.3(9) . . . . ?
N3 Ru2 N51 C52 15(3) . . . . ?
N81 Ru2 N51 C52 -171.0(7) . . . . ?
N71 Ru2 N51 C52 -93.2(8) . . . . ?
N61 Ru2 N51 C52 4.2(7) . . . . ?
N1" Ru2 N51 C52 93.1(7) . . . . ?
C56 N51 C52 C62 176.6(9) . . . . ?
Ru2 N51 C52 C62 -5.5(12) . . . . ?
C56 N51 C52 C53 -3.5(15) . . . . ?
Ru2 N51 C52 C53 174.4(8) . . . . ?
N51 C52 C53 C54 2.1(16) . . . . ?
C62 C52 C53 C54 -178.0(10) . . . . ?
C52 C53 C54 C55 0.7(18) . . . . ?
C53 C54 C55 C56 -1.9(18) . . . . ?
C52 N51 C56 C55 2.3(16) . . . . ?
Ru2 N51 C56 C55 -175.3(8) . . . . ?
C54 C55 C56 N51 0.4(18) . . . . ?
N3 Ru2 N61 C66 -6.2(9) . . . . ?
N81 Ru2 N61 C66 -122(4) . . . . ?
N51 Ru2 N61 C66 172.5(9) . . . . ?
N71 Ru2 N61 C66 -95.9(9) . . . . ?
N1" Ru2 N61 C66 72.6(9) . . . . ?
N3 Ru2 N61 C62 179.1(7) . . . . ?
N81 Ru2 N61 C62 64(4) . . . . ?
N51 Ru2 N61 C62 -2.2(7) . . . . ?
N71 Ru2 N61 C62 89.4(7) . . . . ?
N1" Ru2 N61 C62 -102.1(7) . . . . ?
C66 N61 C62 C63 2.8(15) . . . . ?
Ru2 N61 C62 C63 177.6(8) . . . . ?
C66 N61 C62 C52 -174.9(9) . . . . ?
Ru2 N61 C62 C52 -0.1(11) . . . . ?
N51 C52 C62 N61 3.7(14) . . . . ?
C53 C52 C62 N61 -176.2(9) . . . . ?
N51 C52 C62 C63 -173.9(10) . . . . ?
C53 C52 C62 C63 6.2(17) . . . . ?
N61 C62 C63 C64 -3.4(16) . . . . ?
C52 C62 C63 C64 174.1(11) . . . . ?
C62 C63 C64 C65 3.8(18) . . . . ?
C63 C64 C65 C66 -3.4(18) . . . . ?
C62 N61 C66 C65 -2.5(16) . . . . ?
Ru2 N61 C66 C65 -176.8(8) . . . . ?
C64 C65 C66 N61 2.8(17) . . . . ?
N3 Ru2 N71 C72 75.6(8) . . . . ?
N81 Ru2 N71 C72 -12.5(8) . . . . ?
N51 Ru2 N71 C72 -110.9(9) . . . . ?
N61 Ru2 N71 C72 169.8(8) . . . . ?
N1" Ru2 N71 C72 43.3(18) . . . . ?
N3 Ru2 N71 C76 -88.1(9) . . . . ?
N81 Ru2 N71 C76 -176.2(10) . . . . ?
N51 Ru2 N71 C76 85.3(9) . . . . ?
N61 Ru2 N71 C76 6.1(10) . . . . ?
N1" Ru2 N71 C76 -120.4(14) . . . . ?
C76 N71 C72 C73 -4.3(18) . . . . ?
Ru2 N71 C72 C73 -169.2(9) . . . . ?
C76 N71 C72 C82 -178.7(10) . . . . ?
Ru2 N71 C72 C82 16.4(13) . . . . ?
N71 C72 C73 C74 6.4(19) . . . . ?
C82 C72 C73 C74 -179.6(10) . . . . ?
C72 C73 C74 C75 -4.5(19) . . . . ?
C73 C74 C75 C76 0.8(19) . . . . ?
C72 N71 C76 C75 0.2(18) . . . . ?
Ru2 N71 C76 C75 163.4(8) . . . . ?
C74 C75 C76 N71 1.5(18) . . . . ?
N3 Ru2 N81 C82 -82.8(8) . . . . ?
N51 Ru2 N81 C82 97.9(8) . . . . ?
N71 Ru2 N81 C82 6.7(7) . . . . ?
N61 Ru2 N81 C82 33(4) . . . . ?
N1" Ru2 N81 C82 -161.4(8) . . . . ?
N3 Ru2 N81 C86 99.3(9) . . . . ?
N51 Ru2 N81 C86 -80.0(9) . . . . ?
N71 Ru2 N81 C86 -171.2(9) . . . . ?
N61 Ru2 N81 C86 -145(3) . . . . ?
N1" Ru2 N81 C86 20.7(9) . . . . ?
C86 N81 C82 C83 -8.0(15) . . . . ?
Ru2 N81 C82 C83 173.9(8) . . . . ?
C86 N81 C82 C72 177.8(9) . . . . ?
Ru2 N81 C82 C72 -0.3(12) . . . . ?
N71 C72 C82 N81 -10.6(15) . . . . ?
C73 C72 C82 N81 175.0(11) . . . . ?
N71 C72 C82 C83 175.4(10) . . . . ?
C73 C72 C82 C83 1.0(19) . . . . ?
N81 C82 C83 C84 3.7(17) . . . . ?
C72 C82 C83 C84 177.1(11) . . . . ?
C82 C83 C84 C85 3.4(19) . . . . ?
C83 C84 C85 C86 -6(2) . . . . ?
C84 C85 C86 N81 1(2) . . . . ?
C82 N81 C86 C85 5.9(16) . . . . ?
Ru2 N81 C86 C85 -176.2(8) . . . . ?
