#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:47:59 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179155 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/16/4311646.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_4311646
loop_
_publ_author_name
'John M. Villegas'
'Stanislav R. Stoyanov'
'Wei Huang'
'Loranelle L. Lockyear'
'Joseph H. Reibenspies'
'D. Paul Rillema'
_publ_section_title
;
 Synthesis, Characterization, and Photochemical and Computational
 Investigations of Ru(II) Heterocyclic Complexes Containing
 2,6-dimethylphenylisocyanide (CNx) Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6383
_journal_page_last               6396
_journal_paper_doi               10.1021/ic049099r
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C38 H34 F12 N6 P2 Ru'
_chemical_formula_weight         965.72
_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-97
_cell_angle_alpha                89.974(3)
_cell_angle_beta                 109.997(2)
_cell_angle_gamma                89.691(3)
_cell_formula_units_Z            4
_cell_length_a                   22.747(4)
_cell_length_b                   8.9247(15)
_cell_length_c                   20.813(3)
_cell_measurement_reflns_used    2322
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      26.50
_cell_measurement_theta_min      2.29
_cell_volume                     3970.4(11)
_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      110(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0707
_diffrn_reflns_av_sigmaI/netI    0.0982
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            32648
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    0.570
_exptl_absorpt_correction_T_max  0.9452
_exptl_absorpt_correction_T_min  0.8946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.773
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1064
_refine_ls_number_reflns         13835
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0675
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1565
_reflns_number_gt                9418
_reflns_number_total             13835
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049099rsi20040708_023522.cif
_cod_data_source_block           pr01a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        3970.5(11)
_cod_database_code               4311646
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_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 0.75744(3) 0.58114(8) 0.76941(3) 0.02890(18) Uani 1 1 d . . .
Ru2 Ru 0.23675(3) 0.15732(8) 0.72938(3) 0.02982(19) Uani 1 1 d . . .
F1 F 0.2758(3) 0.5243(8) 0.5284(4) 0.093(2) Uani 1 1 d . . .
F2 F 0.3404(3) 0.3912(7) 0.6151(2) 0.0650(16) Uani 1 1 d . . .
F3 F 0.2948(2) 0.2903(6) 0.5112(2) 0.0624(16) Uani 1 1 d . . .
F4 F 0.3787(3) 0.5760(9) 0.5695(3) 0.104(3) Uani 1 1 d . . .
F5 F 0.3979(3) 0.3300(12) 0.5535(4) 0.138(4) Uani 1 1 d . . .
F6 F 0.3342(3) 0.4715(11) 0.4656(3) 0.135(4) Uani 1 1 d . . .
F7 F 0.8640(2) 0.3312(8) 0.5890(4) 0.093(2) Uani 1 1 d . . .
F8 F 0.9473(3) 0.4287(8) 0.6696(3) 0.0822(19) Uani 1 1 d . . .
F9 F 0.9144(3) 0.1961(8) 0.6818(3) 0.088(2) Uani 1 1 d . . .
F10 F 0.9220(3) 0.1266(8) 0.5829(3) 0.0828(19) Uani 1 1 d . . .
F11 F 0.9534(3) 0.3696(9) 0.5702(3) 0.088(2) Uani 1 1 d . . .
F12 F 1.0039(2) 0.2386(7) 0.6643(3) 0.0761(19) Uani 1 1 d . . .
F13 F 0.7149(2) 0.9515(6) 0.9595(3) 0.0603(15) Uani 1 1 d . . .
F14 F 0.7003(2) 0.7144(6) 0.9844(2) 0.0435(12) Uani 1 1 d . . .
F15 F 0.6443(2) 0.8108(6) 0.8812(2) 0.0563(14) Uani 1 1 d . . .
F16 F 0.5969(2) 0.7592(8) 0.9554(3) 0.0755(19) Uani 1 1 d . . .
F17 F 0.6113(2) 0.9999(6) 0.9313(2) 0.0585(15) Uani 1 1 d . . .
F18 F 0.6661(2) 0.9049(7) 1.0354(2) 0.0687(18) Uani 1 1 d . . .
F19 F 1.1107(3) 0.7060(8) 0.9296(3) 0.0771(19) Uani 1 1 d . . .
F20 F 1.0972(2) 0.7704(6) 0.8209(2) 0.0579(15) Uani 1 1 d . . .
F21 F 1.1309(2) 0.9389(8) 0.9052(3) 0.0754(19) Uani 1 1 d . . .
F22 F 1.0144(2) 0.7243(6) 0.8521(3) 0.0601(15) Uani 1 1 d . . .
F23 F 1.0331(2) 0.9606(6) 0.8273(2) 0.0465(13) Uani 1 1 d . . .
F24 F 1.0466(2) 0.8954(6) 0.9355(2) 0.0516(14) Uani 1 1 d . . .
P1 P 0.33808(10) 0.4318(3) 0.54029(11) 0.0424(6) Uani 1 1 d . . .
P2 P 0.93452(10) 0.2829(3) 0.62488(12) 0.0468(7) Uani 1 1 d . . .
P3 P 0.65514(10) 0.8570(3) 0.95795(10) 0.0352(6) Uani 1 1 d . . .
P4 P 1.07229(10) 0.8340(3) 0.87802(11) 0.0444(6) Uani 1 1 d . . .
N1 N 0.7338(3) 0.4692(8) 0.8447(3) 0.0314(16) Uani 1 1 d . . .
N2 N 0.8342(3) 0.4341(8) 0.8096(3) 0.0337(17) Uani 1 1 d . . .
N3 N 0.8124(3) 0.7379(8) 0.8396(3) 0.0295(16) Uani 1 1 d . . .
N4 N 0.8021(3) 0.6851(7) 0.7105(3) 0.0275(16) Uani 1 1 d . . .
N5 N 0.6459(3) 0.8069(8) 0.7266(3) 0.0287(16) Uani 1 1 d . . .
N6 N 0.6845(3) 0.3482(8) 0.6626(3) 0.0304(16) Uani 1 1 d . . .
N7 N 0.1580(3) 0.0165(8) 0.6901(3) 0.0343(17) Uani 1 1 d . . .
N8 N 0.2560(3) 0.0485(7) 0.6510(3) 0.0277(15) Uani 1 1 d . . .
N9 N 0.1809(3) 0.3180(7) 0.6623(3) 0.0287(16) Uani 1 1 d . . .
N10 N 0.1950(3) 0.2667(8) 0.7904(3) 0.0318(17) Uani 1 1 d . . .
N11 N 0.3477(3) 0.3783(8) 0.7668(3) 0.0336(17) Uani 1 1 d . . .
N12 N 0.3127(3) -0.0804(8) 0.8347(3) 0.0281(16) Uani 1 1 d . . .
C1 C 0.6797(3) 0.4839(10) 0.8566(4) 0.036(2) Uani 1 1 d . . .
H1A H 0.6484 0.5500 0.8288 0.043 Uiso 1 1 calc R . .
C2 C 0.6685(4) 0.4055(10) 0.9081(4) 0.038(2) Uani 1 1 d . . .
H2A H 0.6298 0.4174 0.9156 0.045 Uiso 1 1 calc R . .
C3 C 0.7133(4) 0.3101(10) 0.9486(4) 0.038(2) Uani 1 1 d . . .
H3A H 0.7060 0.2541 0.9839 0.046 Uiso 1 1 calc R . .
C4 C 0.7689(4) 0.2970(11) 0.9371(4) 0.042(2) Uani 1 1 d . . .
H4A H 0.8005 0.2313 0.9647 0.051 Uiso 1 1 calc R . .
C5 C 0.7793(3) 0.3770(10) 0.8865(4) 0.035(2) Uani 1 1 d . . .
C6 C 0.8361(4) 0.3654(11) 0.8679(4) 0.039(2) Uani 1 1 d . . .
C7 C 0.8883(4) 0.2806(15) 0.9068(5) 0.077(4) Uani 1 1 d . . .
H7A H 0.8890 0.2310 0.9474 0.092 Uiso 1 1 calc R . .
C8 C 0.9390(4) 0.2715(16) 0.8840(5) 0.089(5) Uani 1 1 d . . .
H8A H 0.9762 0.2218 0.9111 0.107 Uiso 1 1 calc R . .
C9 C 0.9356(4) 0.3335(12) 0.8230(4) 0.052(3) Uani 1 1 d . . .
H9A H 0.9682 0.3184 0.8049 0.063 Uiso 1 1 calc R . .
C10 C 0.8832(3) 0.4192(10) 0.7880(4) 0.036(2) Uani 1 1 d . . .
H10A H 0.8821 0.4691 0.7472 0.043 Uiso 1 1 calc R . .
C11 C 0.8105(4) 0.7680(10) 0.9010(4) 0.037(2) Uani 1 1 d . . .
H11A H 0.7787 0.7241 0.9147 0.045 Uiso 1 1 calc R . .
C12 C 0.8528(4) 0.8599(11) 0.9452(4) 0.044(2) Uani 1 1 d . . .
H12A H 0.8496 0.8822 0.9886 0.052 Uiso 1 1 calc R . .
C13 C 0.9006(4) 0.9207(12) 0.9265(4) 0.049(3) Uani 1 1 d . . .
H13A H 0.9326 0.9787 0.9577 0.059 Uiso 1 1 calc R . .
C14 C 0.9000(4) 0.8941(12) 0.8609(4) 0.049(3) Uani 1 1 d . . .
H14A H 0.9306 0.9396 0.8457 0.059 Uiso 1 1 calc R . .
C15 C 0.8558(3) 0.8029(10) 0.8176(4) 0.031(2) Uani 1 1 d . . .
C16 C 0.8510(3) 0.7754(10) 0.7466(4) 0.031(2) Uani 1 1 d . . .
C17 C 0.8905(3) 0.8369(10) 0.7162(4) 0.035(2) Uani 1 1 d . . .
H17A H 0.9250 0.8968 0.7418 0.042 Uiso 1 1 calc R . .
C18 C 0.8788(4) 0.8092(11) 0.6479(4) 0.041(2) Uani 1 1 d . . .
H18A H 0.9050 0.8523 0.6258 0.049 Uiso 1 1 calc R . .
C19 C 0.8301(3) 0.7208(10) 0.6115(4) 0.033(2) Uani 1 1 d . . .
H19A H 0.8223 0.7007 0.5645 0.040 Uiso 1 1 calc R . .
C20 C 0.7929(3) 0.6622(9) 0.6440(4) 0.0307(19) Uani 1 1 d . . .
H20A H 0.7586 0.6018 0.6184 0.037 Uiso 1 1 calc R . .
C21 C 0.6867(4) 0.7198(10) 0.7414(4) 0.030(2) Uani 1 1 d . . .
C22 C 0.5978(3) 0.9128(10) 0.7132(4) 0.032(2) Uani 1 1 d . . .
C23 C 0.5389(4) 0.8707(12) 0.6681(4) 0.045(3) Uani 1 1 d . . .
C24 C 0.4932(5) 0.9782(16) 0.6548(6) 0.063(3) Uani 1 1 d . . .
H24A H 0.4528 0.9557 0.6233 0.076 Uiso 1 1 calc R . .
C25 C 0.5027(5) 1.1154(17) 0.6846(6) 0.073(4) Uani 1 1 d . . .
H25A H 0.4694 1.1859 0.6753 0.087 Uiso 1 1 calc R . .
C26 C 0.5623(5) 1.1513(12) 0.7291(6) 0.064(3) Uani 1 1 d . . .
H26A H 0.5694 1.2474 0.7498 0.077 Uiso 1 1 calc R . .
C27 C 0.6112(4) 1.0499(10) 0.7438(4) 0.035(2) Uani 1 1 d . . .
C28 C 0.6757(4) 1.0884(11) 0.7911(4) 0.048(2) Uani 1 1 d . . .
H28A H 0.7038 1.0027 0.7947 0.072 Uiso 1 1 calc R . .
H28B H 0.6741 1.1123 0.8364 0.072 Uiso 1 1 calc R . .
H28C H 0.6912 1.1752 0.7730 0.072 Uiso 1 1 calc R . .
C29 C 0.5275(4) 0.7209(12) 0.6370(5) 0.052(3) Uani 1 1 d . . .
H29A H 0.4836 0.7133 0.6074 0.078 Uiso 1 1 calc R . .
H29B H 0.5366 0.6448 0.6731 0.078 Uiso 1 1 calc R . .
H29C H 0.5547 0.7049 0.6098 0.078 Uiso 1 1 calc R . .
C30 C 0.7112(4) 0.4385(10) 0.7019(4) 0.030(2) Uani 1 1 d . . .
C31 C 0.6583(3) 0.2262(10) 0.6206(4) 0.031(2) Uani 1 1 d . . .
C32 C 0.6973(4) 0.1041(10) 0.6216(4) 0.035(2) Uani 1 1 d . . .
C33 C 0.6711(4) -0.0177(11) 0.5836(4) 0.041(2) Uani 1 1 d . . .
H33A H 0.6966 -0.1030 0.5846 0.049 Uiso 1 1 calc R . .
C34 C 0.6090(4) -0.0209(11) 0.5438(4) 0.042(2) Uani 1 1 d . . .
H34A H 0.5914 -0.1079 0.5183 0.051 Uiso 1 1 calc R . .
C35 C 0.5723(4) 0.1047(12) 0.5415(4) 0.043(2) Uani 1 1 d . . .
H35A H 0.5297 0.1037 0.5127 0.052 Uiso 1 1 calc R . .
C36 C 0.5951(3) 0.2296(10) 0.5791(4) 0.031(2) Uani 1 1 d . . .
C37 C 0.7658(4) 0.1108(12) 0.6624(4) 0.050(3) Uani 1 1 d . . .
H37A H 0.7860 0.0163 0.6573 0.076 Uiso 1 1 calc R . .
H37B H 0.7714 0.1266 0.7107 0.076 Uiso 1 1 calc R . .
H37C H 0.7849 0.1937 0.6458 0.076 Uiso 1 1 calc R . .
C38 C 0.5568(4) 0.3632(12) 0.5794(5) 0.055(3) Uani 1 1 d . . .
H38A H 0.5140 0.3479 0.5479 0.082 Uiso 1 1 calc R . .
H38B H 0.5748 0.4508 0.5648 0.082 Uiso 1 1 calc R . .
H38C H 0.5561 0.3796 0.6257 0.082 Uiso 1 1 calc R . .
C39 C 0.1117(3) -0.0025(10) 0.7147(4) 0.033(2) Uani 1 1 d . . .
H39A H 0.1170 0.0329 0.7594 0.040 Uiso 1 1 calc R . .
C40 C 0.0570(4) -0.0705(11) 0.6785(4) 0.044(2) Uani 1 1 d . . .
H40A H 0.0244 -0.0799 0.6972 0.053 Uiso 1 1 calc R . .
C41 C 0.0496(4) -0.1256(12) 0.6142(5) 0.054(3) Uani 1 1 d . . .
H41A H 0.0119 -0.1736 0.5878 0.065 Uiso 1 1 calc R . .
C42 C 0.0980(4) -0.1097(11) 0.5893(4) 0.043(2) Uani 1 1 d . . .
H42A H 0.0934 -0.1441 0.5447 0.051 Uiso 1 1 calc R . .
C43 C 0.1525(3) -0.0443(10) 0.6287(4) 0.031(2) Uani 1 1 d . . .
C44 C 0.2086(4) -0.0331(10) 0.6086(4) 0.035(2) Uani 1 1 d . . .
C45 C 0.2137(4) -0.1119(11) 0.5532(4) 0.040(2) Uani 1 1 d . . .
H45A H 0.1807 -0.1729 0.5255 0.048 Uiso 1 1 calc R . .
C46 C 0.2686(4) -0.0978(11) 0.5402(4) 0.044(2) Uani 1 1 d . . .
H46A H 0.2732 -0.1469 0.5017 0.052 Uiso 1 1 calc R . .
C47 C 0.3157(4) -0.0154(11) 0.5810(5) 0.047(3) Uani 1 1 d . . .
H47A H 0.3537 -0.0079 0.5718 0.057 Uiso 1 1 calc R . .
C48 C 0.3090(3) 0.0582(10) 0.6361(4) 0.032(2) Uani 1 1 d . . .
H48A H 0.3426 0.1171 0.6644 0.038 Uiso 1 1 calc R . .
C49 C 0.1813(3) 0.3501(10) 0.5993(4) 0.035(2) Uani 1 1 d . . .
H49A H 0.2118 0.3040 0.5840 0.042 Uiso 1 1 calc R . .
C50 C 0.1386(4) 0.4481(10) 0.5562(4) 0.039(2) Uani 1 1 d . . .
H50A H 0.1406 0.4728 0.5126 0.047 Uiso 1 1 calc R . .
C51 C 0.0934(4) 0.5083(11) 0.5778(4) 0.049(3) Uani 1 1 d . . .
H51A H 0.0616 0.5703 0.5479 0.058 Uiso 1 1 calc R . .
C52 C 0.0937(4) 0.4795(10) 0.6425(4) 0.039(2) Uani 1 1 d . . .
H52A H 0.0632 0.5240 0.6584 0.046 Uiso 1 1 calc R . .
C53 C 0.1384(3) 0.3858(9) 0.6839(4) 0.0269(19) Uani 1 1 d . . .
C54 C 0.1467(4) 0.3572(10) 0.7571(4) 0.035(2) Uani 1 1 d . . .
C55 C 0.1077(4) 0.4164(10) 0.7884(4) 0.037(2) Uani 1 1 d . . .
H55A H 0.0725 0.4758 0.7633 0.044 Uiso 1 1 calc R . .
C56 C 0.1205(4) 0.3880(11) 0.8574(4) 0.042(2) Uani 1 1 d . . .
H56A H 0.0943 0.4282 0.8803 0.051 Uiso 1 1 calc R . .
C57 C 0.1707(4) 0.3024(12) 0.8917(4) 0.049(3) Uani 1 1 d . . .
H57A H 0.1803 0.2842 0.9392 0.059 Uiso 1 1 calc R . .
C58 C 0.2082(4) 0.2412(10) 0.8585(4) 0.038(2) Uani 1 1 d . . .
H58A H 0.2433 0.1812 0.8831 0.046 Uiso 1 1 calc R . .
C59 C 0.3069(4) 0.2936(10) 0.7550(4) 0.034(2) Uani 1 1 d . . .
C60 C 0.3928(3) 0.4902(10) 0.7752(4) 0.033(2) Uani 1 1 d . . .
C61 C 0.3730(4) 0.6275(10) 0.7421(4) 0.035(2) Uani 1 1 d . . .
C62 C 0.4179(4) 0.7330(10) 0.7497(4) 0.038(2) Uani 1 1 d . . .
H62A H 0.4062 0.8268 0.7272 0.045 Uiso 1 1 calc R . .
C63 C 0.4792(4) 0.7089(10) 0.7886(4) 0.040(2) Uani 1 1 d . . .
H63A H 0.5092 0.7855 0.7933 0.048 Uiso 1 1 calc R . .
C64 C 0.4971(4) 0.5736(10) 0.8206(4) 0.037(2) Uani 1 1 d . . .
H64A H 0.5398 0.5577 0.8475 0.044 Uiso 1 1 calc R . .
C65 C 0.4542(3) 0.4586(10) 0.8148(4) 0.038(2) Uani 1 1 d . . .
C66 C 0.3049(3) 0.6534(10) 0.7005(4) 0.039(2) Uani 1 1 d . . .
H66A H 0.2993 0.7549 0.6813 0.058 Uiso 1 1 calc R . .
H66B H 0.2795 0.6419 0.7299 0.058 Uiso 1 1 calc R . .
H66C H 0.2915 0.5802 0.6633 0.058 Uiso 1 1 calc R . .
C67 C 0.4724(4) 0.3105(11) 0.8484(4) 0.049(3) Uani 1 1 d . . .
H67A H 0.4353 0.2470 0.8379 0.074 Uiso 1 1 calc R . .
H67B H 0.4908 0.3242 0.8980 0.074 Uiso 1 1 calc R . .
H67C H 0.5032 0.2626 0.8315 0.074 Uiso 1 1 calc R . .
C68 C 0.2845(3) 0.0064(9) 0.7963(4) 0.0272(18) Uani 1 1 d . . .
C69 C 0.3442(3) -0.1970(10) 0.8775(4) 0.029(2) Uani 1 1 d . . .
C70 C 0.4090(3) -0.1814(9) 0.9113(4) 0.0301(19) Uani 1 1 d . . .
C71 C 0.4393(4) -0.3016(11) 0.9512(4) 0.038(2) Uani 1 1 d . . .
H71A H 0.4833 -0.2978 0.9738 0.046 Uiso 1 1 calc R . .
C72 C 0.4073(4) -0.4256(11) 0.9588(4) 0.042(2) Uani 1 1 d . . .
H72A H 0.4294 -0.5053 0.9874 0.051 Uiso 1 1 calc R . .
C73 C 0.3433(4) -0.4375(10) 0.9256(4) 0.045(2) Uani 1 1 d . . .
H73A H 0.3221 -0.5259 0.9304 0.054 Uiso 1 1 calc R . .
C74 C 0.3099(4) -0.3187(10) 0.8849(4) 0.033(2) Uani 1 1 d . . .
C75 C 0.4427(3) -0.0456(11) 0.9049(4) 0.043(2) Uani 1 1 d . . .
H75A H 0.4133 0.0263 0.8747 0.064 Uiso 1 1 calc R . .
H75B H 0.4751 -0.0717 0.8855 0.064 Uiso 1 1 calc R . .
H75C H 0.4623 -0.0006 0.9501 0.064 Uiso 1 1 calc R . .
C76 C 0.2407(4) -0.3265(11) 0.8512(4) 0.048(2) Uani 1 1 d . . .
H76A H 0.2257 -0.4226 0.8622 0.073 Uiso 1 1 calc R . .
H76B H 0.2300 -0.3177 0.8016 0.073 Uiso 1 1 calc R . .
H76C H 0.2210 -0.2444 0.8678 0.073 Uiso 1 1 calc R . .
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'
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
C30 Ru1 C21 90.7(3) . . ?
C30 Ru1 N4 97.1(3) . . ?
C21 Ru1 N4 93.5(3) . . ?
C30 Ru1 N1 90.7(3) . . ?
C21 Ru1 N1 97.4(3) . . ?
N4 Ru1 N1 166.5(2) . . ?
C30 Ru1 N3 176.0(3) . . ?
C21 Ru1 N3 91.2(3) . . ?
N4 Ru1 N3 79.3(2) . . ?
N1 Ru1 N3 92.5(2) . . ?
C30 Ru1 N2 92.9(3) . . ?
C21 Ru1 N2 174.4(3) . . ?
N4 Ru1 N2 90.3(2) . . ?
N1 Ru1 N2 78.3(2) . . ?
N3 Ru1 N2 85.5(2) . . ?
C59 Ru2 C68 91.9(3) . . ?
C59 Ru2 N8 97.9(3) . . ?
C68 Ru2 N8 91.4(3) . . ?
C59 Ru2 N10 92.4(3) . . ?
C68 Ru2 N10 98.2(3) . . ?
N8 Ru2 N10 165.7(2) . . ?
C59 Ru2 N9 90.4(3) . . ?
C68 Ru2 N9 175.5(3) . . ?
N8 Ru2 N9 92.1(2) . . ?
N10 Ru2 N9 77.8(2) . . ?
C59 Ru2 N7 173.6(3) . . ?
C68 Ru2 N7 93.2(3) . . ?
N8 Ru2 N7 78.1(2) . . ?
N10 Ru2 N7 90.7(3) . . ?
N9 Ru2 N7 84.8(2) . . ?
F6 P1 F5 93.1(5) . . ?
F6 P1 F1 89.1(4) . . ?
F5 P1 F1 176.0(5) . . ?
F6 P1 F2 178.8(3) . . ?
F5 P1 F2 87.8(4) . . ?
F1 P1 F2 90.0(4) . . ?
F6 P1 F4 91.4(4) . . ?
F5 P1 F4 92.5(4) . . ?
F1 P1 F4 90.7(4) . . ?
F2 P1 F4 89.4(3) . . ?
F6 P1 F3 89.1(3) . . ?
F5 P1 F3 89.7(4) . . ?
F1 P1 F3 87.0(3) . . ?
F2 P1 F3 90.0(3) . . ?
F4 P1 F3 177.7(4) . . ?
F11 P2 F12 91.5(3) . . ?
F11 P2 F8 88.8(4) . . ?
F12 P2 F8 86.9(3) . . ?
F11 P2 F7 90.6(3) . . ?
F12 P2 F7 176.6(4) . . ?
F8 P2 F7 90.6(4) . . ?
F11 P2 F9 178.9(5) . . ?
F12 P2 F9 89.1(3) . . ?
F8 P2 F9 90.3(4) . . ?
F7 P2 F9 88.7(4) . . ?
F11 P2 F10 94.4(4) . . ?
F12 P2 F10 91.7(3) . . ?
F8 P2 F10 176.5(4) . . ?
F7 P2 F10 90.7(4) . . ?
F9 P2 F10 86.5(4) . . ?
F16 P3 F15 88.9(3) . . ?
F16 P3 F17 90.8(3) . . ?
F15 P3 F17 89.7(3) . . ?
F16 P3 F13 178.2(4) . . ?
F15 P3 F13 89.8(3) . . ?
F17 P3 F13 90.5(3) . . ?
F16 P3 F18 91.3(3) . . ?
F15 P3 F18 179.6(4) . . ?
F17 P3 F18 90.0(3) . . ?
F13 P3 F18 90.0(3) . . ?
F16 P3 F14 90.2(3) . . ?
F15 P3 F14 90.0(3) . . ?
F17 P3 F14 179.0(3) . . ?
F13 P3 F14 88.4(3) . . ?
F18 P3 F14 90.3(3) . . ?
F21 P4 F22 178.3(4) . . ?
F21 P4 F20 90.4(3) . . ?
F22 P4 F20 89.5(3) . . ?
F21 P4 F23 91.6(3) . . ?
F22 P4 F23 90.1(3) . . ?
F20 P4 F23 90.9(3) . . ?
F21 P4 F24 90.4(3) . . ?
F22 P4 F24 89.6(3) . . ?
F20 P4 F24 179.0(3) . . ?
F23 P4 F24 89.5(3) . . ?
F21 P4 F19 89.1(3) . . ?
F22 P4 F19 89.2(3) . . ?
F20 P4 F19 89.8(3) . . ?
F23 P4 F19 179.0(3) . . ?
F24 P4 F19 89.8(3) . . ?
C1 N1 C5 118.6(6) . . ?
C1 N1 Ru1 125.8(5) . . ?
C5 N1 Ru1 115.5(5) . . ?
C10 N2 C6 119.0(7) . . ?
C10 N2 Ru1 126.5(5) . . ?
C6 N2 Ru1 113.9(5) . . ?
C11 N3 C15 120.5(7) . . ?
C11 N3 Ru1 126.8(5) . . ?
C15 N3 Ru1 112.5(5) . . ?
C20 N4 C16 117.7(6) . . ?
C20 N4 Ru1 127.5(5) . . ?
C16 N4 Ru1 114.4(5) . . ?
C21 N5 C22 176.5(7) . . ?
C30 N6 C31 172.3(8) . . ?
C39 N7 C43 118.7(7) . . ?
C39 N7 Ru2 127.3(6) . . ?
C43 N7 Ru2 113.5(5) . . ?
C48 N8 C44 117.6(7) . . ?
C48 N8 Ru2 126.6(5) . . ?
C44 N8 Ru2 115.7(5) . . ?
C53 N9 C49 118.6(6) . . ?
C53 N9 Ru2 115.1(5) . . ?
C49 N9 Ru2 126.2(5) . . ?
C54 N10 C58 119.1(7) . . ?
C54 N10 Ru2 115.3(5) . . ?
C58 N10 Ru2 125.2(6) . . ?
C59 N11 C60 173.7(8) . . ?
C68 N12 C69 174.8(8) . . ?
N1 C1 C2 121.5(7) . . ?
C3 C2 C1 119.8(7) . . ?
C4 C3 C2 118.6(7) . . ?
C5 C4 C3 120.6(8) . . ?
C4 C5 N1 120.8(7) . . ?
C4 C5 C6 124.7(7) . . ?
N1 C5 C6 114.4(7) . . ?
N2 C6 C7 121.5(7) . . ?
N2 C6 C5 116.5(7) . . ?
C7 C6 C5 121.9(7) . . ?
C8 C7 C6 118.0(8) . . ?
C9 C8 C7 120.4(9) . . ?
C8 C9 C10 118.5(8) . . ?
N2 C10 C9 122.4(7) . . ?
N3 C11 C12 122.0(8) . . ?
C11 C12 C13 119.3(8) . . ?
C14 C13 C12 117.8(8) . . ?
C15 C14 C13 120.7(8) . . ?
N3 C15 C14 119.5(7) . . ?
N3 C15 C16 117.2(7) . . ?
C14 C15 C16 123.3(7) . . ?
N4 C16 C17 121.3(7) . . ?
N4 C16 C15 114.6(6) . . ?
C17 C16 C15 124.0(7) . . ?
C18 C17 C16 118.3(8) . . ?
C19 C18 C17 120.8(7) . . ?
C20 C19 C18 118.5(7) . . ?
N4 C20 C19 123.3(7) . . ?
N5 C21 Ru1 177.2(7) . . ?
C27 C22 N5 118.4(7) . . ?
C27 C22 C23 124.5(8) . . ?
N5 C22 C23 117.0(8) . . ?
C24 C23 C22 115.6(11) . . ?
C24 C23 C29 122.5(9) . . ?
C22 C23 C29 121.9(8) . . ?
C25 C24 C23 123.0(11) . . ?
C24 C25 C26 118.9(10) . . ?
C27 C26 C25 121.4(11) . . ?
C22 C27 C26 116.5(9) . . ?
C22 C27 C28 121.8(8) . . ?
C26 C27 C28 121.7(10) . . ?
N6 C30 Ru1 177.6(7) . . ?
C32 C31 N6 117.8(7) . . ?
C32 C31 C36 122.2(8) . . ?
N6 C31 C36 120.0(8) . . ?
C33 C32 C31 117.7(8) . . ?
C33 C32 C37 122.0(8) . . ?
C31 C32 C37 120.3(8) . . ?
C32 C33 C34 121.9(9) . . ?
C33 C34 C35 118.9(9) . . ?
C36 C35 C34 122.4(8) . . ?
C35 C36 C31 116.7(8) . . ?
C35 C36 C38 123.7(8) . . ?
C31 C36 C38 119.5(8) . . ?
N7 C39 C40 122.7(8) . . ?
C39 C40 C41 118.8(7) . . ?
C42 C41 C40 118.7(8) . . ?
C43 C42 C41 119.9(8) . . ?
N7 C43 C42 120.8(7) . . ?
N7 C43 C44 115.3(7) . . ?
C42 C43 C44 123.8(7) . . ?
N8 C44 C45 122.9(7) . . ?
N8 C44 C43 115.3(7) . . ?
C45 C44 C43 121.6(8) . . ?
C46 C45 C44 117.1(8) . . ?
C47 C46 C45 120.8(9) . . ?
C46 C47 C48 120.1(7) . . ?
N8 C48 C47 121.4(8) . . ?
N9 C49 C50 122.0(7) . . ?
C51 C50 C49 118.3(7) . . ?
C50 C51 C52 120.1(8) . . ?
C51 C52 C53 119.1(8) . . ?
N9 C53 C52 121.8(7) . . ?
N9 C53 C54 114.5(7) . . ?
C52 C53 C54 123.6(7) . . ?
N10 C54 C55 121.9(7) . . ?
N10 C54 C53 115.0(7) . . ?
C55 C54 C53 123.0(7) . . ?
C54 C55 C56 118.8(8) . . ?
C57 C56 C55 119.2(8) . . ?
C56 C57 C58 120.7(8) . . ?
N10 C58 C57 120.2(8) . . ?
N11 C59 Ru2 176.4(6) . . ?
C65 C60 C61 123.7(8) . . ?
C65 C60 N11 118.6(8) . . ?
C61 C60 N11 117.7(7) . . ?
C62 C61 C60 116.5(7) . . ?
C62 C61 C66 123.1(8) . . ?
C60 C61 C66 120.4(7) . . ?
C61 C62 C63 122.5(8) . . ?
C62 C63 C64 119.6(8) . . ?
C63 C64 C65 121.7(8) . . ?
C60 C65 C64 116.0(8) . . ?
C60 C65 C67 121.2(8) . . ?
C64 C65 C67 122.8(7) . . ?
N12 C68 Ru2 179.2(7) . . ?
C74 C69 N12 118.1(7) . . ?
C74 C69 C70 124.3(7) . . ?
N12 C69 C70 117.6(7) . . ?
C71 C70 C69 116.1(8) . . ?
C71 C70 C75 121.7(7) . . ?
C69 C70 C75 122.1(7) . . ?
C72 C71 C70 121.4(8) . . ?
C71 C72 C73 121.3(8) . . ?
C72 C73 C74 119.9(8) . . ?
C69 C74 C73 116.8(7) . . ?
C69 C74 C76 122.5(7) . . ?
C73 C74 C76 120.7(8) . . ?
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 C30 1.925(10) . ?
Ru1 C21 1.949(9) . ?
Ru1 N4 2.064(6) . ?
Ru1 N1 2.079(6) . ?
Ru1 N3 2.104(6) . ?
Ru1 N2 2.109(6) . ?
Ru2 C59 1.937(9) . ?
Ru2 C68 1.970(8) . ?
Ru2 N8 2.069(6) . ?
Ru2 N10 2.071(6) . ?
Ru2 N9 2.094(6) . ?
Ru2 N7 2.116(7) . ?
F1 P1 1.579(6) . ?
F2 P1 1.581(5) . ?
F3 P1 1.593(6) . ?
F4 P1 1.584(7) . ?
F5 P1 1.576(7) . ?
F6 P1 1.567(5) . ?
F7 P2 1.578(5) . ?
F8 P2 1.570(7) . ?
F9 P2 1.608(6) . ?
F10 P2 1.620(7) . ?
F11 P2 1.554(6) . ?
F12 P2 1.558(5) . ?
F13 P3 1.595(5) . ?
F14 P3 1.605(5) . ?
F15 P3 1.585(5) . ?
F16 P3 1.577(5) . ?
F17 P3 1.593(5) . ?
F18 P3 1.603(5) . ?
F19 P4 1.602(6) . ?
F20 P4 1.587(5) . ?
F21 P4 1.572(6) . ?
F22 P4 1.585(6) . ?
F23 P4 1.591(5) . ?
F24 P4 1.597(5) . ?
N1 C1 1.342(9) . ?
N1 C5 1.371(9) . ?
N2 C10 1.343(9) . ?
N2 C6 1.347(10) . ?
N3 C11 1.321(9) . ?
N3 C15 1.354(9) . ?
N4 C20 1.343(9) . ?
N4 C16 1.376(10) . ?
N5 C21 1.165(9) . ?
N5 C22 1.395(10) . ?
N6 C30 1.164(10) . ?
N6 C31 1.398(11) . ?
N7 C39 1.333(9) . ?
N7 C43 1.354(10) . ?
N8 C48 1.348(9) . ?
N8 C44 1.352(10) . ?
N9 C53 1.340(9) . ?
N9 C49 1.345(9) . ?
N10 C54 1.346(10) . ?
N10 C58 1.362(9) . ?
N11 C59 1.159(10) . ?
N11 C60 1.402(10) . ?
N12 C68 1.137(9) . ?
N12 C69 1.395(10) . ?
C1 C2 1.375(10) . ?
C2 C3 1.370(11) . ?
C3 C4 1.369(10) . ?
C4 C5 1.359(10) . ?
C5 C6 1.474(11) . ?
C6 C7 1.404(12) . ?
C7 C8 1.391(12) . ?
C8 C9 1.360(12) . ?
C9 C10 1.390(11) . ?
C11 C12 1.359(12) . ?
C12 C13 1.388(11) . ?
C13 C14 1.381(11) . ?
C14 C15 1.370(12) . ?
C15 C16 1.466(10) . ?
C16 C17 1.378(10) . ?
C17 C18 1.377(11) . ?
C18 C19 1.364(11) . ?
C19 C20 1.357(10) . ?
C22 C27 1.366(12) . ?
C22 C23 1.402(11) . ?
C23 C24 1.368(13) . ?
C23 C29 1.471(14) . ?
C24 C25 1.358(16) . ?
C25 C26 1.394(15) . ?
C26 C27 1.381(12) . ?
C27 C28 1.501(11) . ?
C31 C32 1.397(11) . ?
C31 C36 1.403(10) . ?
C32 C33 1.359(12) . ?
C32 C37 1.500(11) . ?
C33 C34 1.374(11) . ?
C34 C35 1.384(13) . ?
C35 C36 1.361(13) . ?
C36 C38 1.474(12) . ?
C39 C40 1.360(11) . ?
C40 C41 1.382(12) . ?
C41 C42 1.375(11) . ?
C42 C43 1.366(11) . ?
C43 C44 1.477(10) . ?
C44 C45 1.389(11) . ?
C45 C46 1.370(10) . ?
C46 C47 1.340(12) . ?
C47 C48 1.375(12) . ?
C49 C50 1.381(10) . ?
C50 C51 1.364(11) . ?
C51 C52 1.368(11) . ?
C52 C53 1.367(10) . ?
C53 C54 1.491(10) . ?
C54 C55 1.372(11) . ?
C55 C56 1.388(11) . ?
C56 C57 1.354(12) . ?
C57 C58 1.380(12) . ?
C60 C65 1.385(10) . ?
C60 C61 1.401(11) . ?
C61 C62 1.363(11) . ?
C61 C66 1.510(10) . ?
C62 C63 1.367(11) . ?
C63 C64 1.369(12) . ?
C64 C65 1.396(11) . ?
C65 C67 1.485(12) . ?
C69 C74 1.379(11) . ?
C69 C70 1.407(10) . ?
C70 C71 1.384(11) . ?
C70 C75 1.469(11) . ?
C71 C72 1.366(12) . ?
C72 C73 1.386(11) . ?
C73 C74 1.404(11) . ?
C74 C76 1.490(10) . ?
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
C30 Ru1 N1 C1 -81.7(7) . . . . ?
C21 Ru1 N1 C1 9.0(7) . . . . ?
N4 Ru1 N1 C1 152.8(10) . . . . ?
N3 Ru1 N1 C1 100.6(7) . . . . ?
N2 Ru1 N1 C1 -174.6(7) . . . . ?
C30 Ru1 N1 C5 100.7(6) . . . . ?
C21 Ru1 N1 C5 -168.5(6) . . . . ?
N4 Ru1 N1 C5 -24.8(15) . . . . ?
N3 Ru1 N1 C5 -77.0(6) . . . . ?
N2 Ru1 N1 C5 7.9(6) . . . . ?
C30 Ru1 N2 C10 87.9(7) . . . . ?
C21 Ru1 N2 C10 -142(3) . . . . ?
N4 Ru1 N2 C10 -9.2(7) . . . . ?
N1 Ru1 N2 C10 178.0(7) . . . . ?
N3 Ru1 N2 C10 -88.4(7) . . . . ?
C30 Ru1 N2 C6 -101.1(6) . . . . ?
C21 Ru1 N2 C6 29(3) . . . . ?
N4 Ru1 N2 C6 161.8(6) . . . . ?
N1 Ru1 N2 C6 -11.0(6) . . . . ?
N3 Ru1 N2 C6 82.5(6) . . . . ?
C30 Ru1 N3 C11 -163(4) . . . . ?
C21 Ru1 N3 C11 79.3(7) . . . . ?
N4 Ru1 N3 C11 172.7(7) . . . . ?
N1 Ru1 N3 C11 -18.1(7) . . . . ?
N2 Ru1 N3 C11 -96.1(7) . . . . ?
C30 Ru1 N3 C15 13(4) . . . . ?
C21 Ru1 N3 C15 -105.1(5) . . . . ?
N4 Ru1 N3 C15 -11.8(5) . . . . ?
N1 Ru1 N3 C15 157.4(5) . . . . ?
N2 Ru1 N3 C15 79.4(5) . . . . ?
C30 Ru1 N4 C20 6.2(7) . . . . ?
C21 Ru1 N4 C20 -85.0(6) . . . . ?
N1 Ru1 N4 C20 131.0(11) . . . . ?
N3 Ru1 N4 C20 -175.5(7) . . . . ?
N2 Ru1 N4 C20 99.1(6) . . . . ?
C30 Ru1 N4 C16 -166.3(5) . . . . ?
C21 Ru1 N4 C16 102.6(6) . . . . ?
N1 Ru1 N4 C16 -41.5(14) . . . . ?
N3 Ru1 N4 C16 12.0(5) . . . . ?
N2 Ru1 N4 C16 -73.3(5) . . . . ?
C59 Ru2 N7 C39 -134(3) . . . . ?
C68 Ru2 N7 C39 84.4(7) . . . . ?
N8 Ru2 N7 C39 175.1(7) . . . . ?
N10 Ru2 N7 C39 -13.9(7) . . . . ?
N9 Ru2 N7 C39 -91.6(7) . . . . ?
C59 Ru2 N7 C43 38(3) . . . . ?
C68 Ru2 N7 C43 -104.0(6) . . . . ?
N8 Ru2 N7 C43 -13.3(5) . . . . ?
N10 Ru2 N7 C43 157.7(5) . . . . ?
N9 Ru2 N7 C43 80.0(5) . . . . ?
C59 Ru2 N8 C48 11.1(6) . . . . ?
C68 Ru2 N8 C48 -81.0(6) . . . . ?
N10 Ru2 N8 C48 146.7(9) . . . . ?
N9 Ru2 N8 C48 101.8(6) . . . . ?
N7 Ru2 N8 C48 -173.9(6) . . . . ?
C59 Ru2 N8 C44 -164.8(5) . . . . ?
C68 Ru2 N8 C44 103.1(5) . . . . ?
N10 Ru2 N8 C44 -29.2(13) . . . . ?
N9 Ru2 N8 C44 -74.1(5) . . . . ?
N7 Ru2 N8 C44 10.2(5) . . . . ?
C59 Ru2 N9 C53 -105.6(6) . . . . ?
C68 Ru2 N9 C53 15(4) . . . . ?
N8 Ru2 N9 C53 156.6(5) . . . . ?
N10 Ru2 N9 C53 -13.1(5) . . . . ?
N7 Ru2 N9 C53 78.7(6) . . . . ?
C59 Ru2 N9 C49 79.3(7) . . . . ?
C68 Ru2 N9 C49 -160(4) . . . . ?
N8 Ru2 N9 C49 -18.6(7) . . . . ?
N10 Ru2 N9 C49 171.7(7) . . . . ?
N7 Ru2 N9 C49 -96.4(7) . . . . ?
C59 Ru2 N10 C54 102.6(6) . . . . ?
C68 Ru2 N10 C54 -165.1(6) . . . . ?
N8 Ru2 N10 C54 -33.4(13) . . . . ?
N9 Ru2 N10 C54 12.7(6) . . . . ?
N7 Ru2 N10 C54 -71.8(6) . . . . ?
C59 Ru2 N10 C58 -84.8(6) . . . . ?
C68 Ru2 N10 C58 7.4(7) . . . . ?
N8 Ru2 N10 C58 139.2(9) . . . . ?
N9 Ru2 N10 C58 -174.7(7) . . . . ?
N7 Ru2 N10 C58 100.8(6) . . . . ?
C5 N1 C1 C2 -2.0(13) . . . . ?
Ru1 N1 C1 C2 -179.5(6) . . . . ?
N1 C1 C2 C3 0.2(14) . . . . ?
C1 C2 C3 C4 0.9(13) . . . . ?
C2 C3 C4 C5 -0.1(14) . . . . ?
C3 C4 C5 N1 -1.9(14) . . . . ?
C3 C4 C5 C6 -176.9(8) . . . . ?
C1 N1 C5 C4 2.9(12) . . . . ?
Ru1 N1 C5 C4 -179.4(7) . . . . ?
C1 N1 C5 C6 178.4(8) . . . . ?
Ru1 N1 C5 C6 -3.8(9) . . . . ?
C10 N2 C6 C7 0.9(14) . . . . ?
Ru1 N2 C6 C7 -170.9(8) . . . . ?
C10 N2 C6 C5 -175.8(8) . . . . ?
Ru1 N2 C6 C5 12.5(10) . . . . ?
C4 C5 C6 N2 169.4(9) . . . . ?
N1 C5 C6 N2 -5.9(12) . . . . ?
C4 C5 C6 C7 -7.2(15) . . . . ?
N1 C5 C6 C7 177.4(9) . . . . ?
N2 C6 C7 C8 1.1(18) . . . . ?
C5 C6 C7 C8 177.6(11) . . . . ?
C6 C7 C8 C9 -5(2) . . . . ?
C7 C8 C9 C10 6.8(19) . . . . ?
C6 N2 C10 C9 1.0(13) . . . . ?
Ru1 N2 C10 C9 171.6(7) . . . . ?
C8 C9 C10 N2 -4.8(16) . . . . ?
C15 N3 C11 C12 -2.5(12) . . . . ?
Ru1 N3 C11 C12 172.8(6) . . . . ?
N3 C11 C12 C13 -2.0(14) . . . . ?
C11 C12 C13 C14 5.1(14) . . . . ?
C12 C13 C14 C15 -4.0(14) . . . . ?
C11 N3 C15 C14 3.5(12) . . . . ?
Ru1 N3 C15 C14 -172.3(7) . . . . ?
C11 N3 C15 C16 -174.1(7) . . . . ?
Ru1 N3 C15 C16 10.0(9) . . . . ?
C13 C14 C15 N3 -0.2(14) . . . . ?
C13 C14 C15 C16 177.3(8) . . . . ?
C20 N4 C16 C17 -1.8(11) . . . . ?
Ru1 N4 C16 C17 171.4(6) . . . . ?
C20 N4 C16 C15 176.4(7) . . . . ?
Ru1 N4 C16 C15 -10.4(8) . . . . ?
N3 C15 C16 N4 0.0(11) . . . . ?
C14 C15 C16 N4 -177.6(8) . . . . ?
N3 C15 C16 C17 178.2(8) . . . . ?
C14 C15 C16 C17 0.6(13) . . . . ?
N4 C16 C17 C18 1.8(12) . . . . ?
C15 C16 C17 C18 -176.2(8) . . . . ?
C16 C17 C18 C19 -1.3(13) . . . . ?
C17 C18 C19 C20 0.8(13) . . . . ?
C16 N4 C20 C19 1.4(11) . . . . ?
Ru1 N4 C20 C19 -170.9(6) . . . . ?
C18 C19 C20 N4 -0.9(12) . . . . ?
C22 N5 C21 Ru1 -43(23) . . . . ?
C30 Ru1 C21 N5 -178(100) . . . . ?
N4 Ru1 C21 N5 -81(13) . . . . ?
N1 Ru1 C21 N5 91(13) . . . . ?
N3 Ru1 C21 N5 -2(13) . . . . ?
N2 Ru1 C21 N5 52(15) . . . . ?
C21 N5 C22 C27 50(13) . . . . ?
C21 N5 C22 C23 -131(13) . . . . ?
C27 C22 C23 C24 0.5(12) . . . . ?
N5 C22 C23 C24 -178.6(7) . . . . ?
C27 C22 C23 C29 -179.9(8) . . . . ?
N5 C22 C23 C29 1.0(11) . . . . ?
C22 C23 C24 C25 -2.1(14) . . . . ?
C29 C23 C24 C25 178.3(9) . . . . ?
C23 C24 C25 C26 2.2(15) . . . . ?
C24 C25 C26 C27 -0.5(14) . . . . ?
N5 C22 C27 C26 -179.9(6) . . . . ?
C23 C22 C27 C26 1.0(12) . . . . ?
N5 C22 C27 C28 -0.2(11) . . . . ?
C23 C22 C27 C28 -179.3(7) . . . . ?
C25 C26 C27 C22 -1.0(12) . . . . ?
C25 C26 C27 C28 179.3(8) . . . . ?
C31 N6 C30 Ru1 -12(21) . . . . ?
C21 Ru1 C30 N6 -150(17) . . . . ?
N4 Ru1 C30 N6 116(17) . . . . ?
N1 Ru1 C30 N6 -53(17) . . . . ?
N3 Ru1 C30 N6 92(17) . . . . ?
N2 Ru1 C30 N6 25(17) . . . . ?
C30 N6 C31 C32 -23(6) . . . . ?
C30 N6 C31 C36 157(5) . . . . ?
N6 C31 C32 C33 176.5(7) . . . . ?
C36 C31 C32 C33 -3.9(11) . . . . ?
N6 C31 C32 C37 -4.6(10) . . . . ?
C36 C31 C32 C37 174.9(7) . . . . ?
C31 C32 C33 C34 1.8(12) . . . . ?
C37 C32 C33 C34 -177.0(7) . . . . ?
C32 C33 C34 C35 1.2(12) . . . . ?
C33 C34 C35 C36 -2.3(12) . . . . ?
C34 C35 C36 C31 0.4(11) . . . . ?
C34 C35 C36 C38 -178.0(7) . . . . ?
C32 C31 C36 C35 2.8(11) . . . . ?
N6 C31 C36 C35 -177.6(7) . . . . ?
C32 C31 C36 C38 -178.7(7) . . . . ?
N6 C31 C36 C38 0.8(10) . . . . ?
C43 N7 C39 C40 -5.2(12) . . . . ?
Ru2 N7 C39 C40 166.0(7) . . . . ?
N7 C39 C40 C41 1.7(14) . . . . ?
C39 C40 C41 C42 0.1(14) . . . . ?
C40 C41 C42 C43 1.9(14) . . . . ?
C39 N7 C43 C42 7.1(12) . . . . ?
Ru2 N7 C43 C42 -165.3(7) . . . . ?
C39 N7 C43 C44 -173.3(7) . . . . ?
Ru2 N7 C43 C44 14.3(8) . . . . ?
C41 C42 C43 N7 -5.5(13) . . . . ?
C41 C42 C43 C44 175.0(8) . . . . ?
C48 N8 C44 C45 3.2(11) . . . . ?
Ru2 N8 C44 C45 179.5(6) . . . . ?
C48 N8 C44 C43 177.9(7) . . . . ?
Ru2 N8 C44 C43 -5.8(8) . . . . ?
N7 C43 C44 N8 -5.9(10) . . . . ?
C42 C43 C44 N8 173.6(8) . . . . ?
N7 C43 C44 C45 168.9(7) . . . . ?
C42 C43 C44 C45 -11.6(12) . . . . ?
N8 C44 C45 C46 -3.5(12) . . . . ?
C43 C44 C45 C46 -177.9(7) . . . . ?
C44 C45 C46 C47 2.3(13) . . . . ?
C45 C46 C47 C48 -1.0(13) . . . . ?
C44 N8 C48 C47 -1.7(11) . . . . ?
Ru2 N8 C48 C47 -177.6(6) . . . . ?
C46 C47 C48 N8 0.7(12) . . . . ?
C53 N9 C49 C50 -1.3(12) . . . . ?
Ru2 N9 C49 C50 173.7(6) . . . . ?
N9 C49 C50 C51 -2.7(13) . . . . ?
C49 C50 C51 C52 4.5(14) . . . . ?
C50 C51 C52 C53 -2.3(14) . . . . ?
C49 N9 C53 C52 3.7(12) . . . . ?
Ru2 N9 C53 C52 -171.9(6) . . . . ?
C49 N9 C53 C54 -173.0(7) . . . . ?
Ru2 N9 C53 C54 11.5(9) . . . . ?
C51 C52 C53 N9 -1.9(13) . . . . ?
C51 C52 C53 C54 174.4(8) . . . . ?
C58 N10 C54 C55 -4.6(12) . . . . ?
Ru2 N10 C54 C55 168.5(7) . . . . ?
C58 N10 C54 C53 176.3(7) . . . . ?
Ru2 N10 C54 C53 -10.7(9) . . . . ?
N9 C53 C54 N10 -0.6(11) . . . . ?
C52 C53 C54 N10 -177.2(8) . . . . ?
N9 C53 C54 C55 -179.8(8) . . . . ?
C52 C53 C54 C55 3.7(13) . . . . ?
N10 C54 C55 C56 3.3(13) . . . . ?
C53 C54 C55 C56 -177.6(8) . . . . ?
C54 C55 C56 C57 -0.3(13) . . . . ?
C55 C56 C57 C58 -1.3(14) . . . . ?
C54 N10 C58 C57 2.8(12) . . . . ?
Ru2 N10 C58 C57 -169.5(6) . . . . ?
C56 C57 C58 N10 0.1(14) . . . . ?
C60 N11 C59 Ru2 23(19) . . . . ?
C68 Ru2 C59 N11 152(12) . . . . ?
N8 Ru2 C59 N11 61(12) . . . . ?
N10 Ru2 C59 N11 -109(12) . . . . ?
N9 Ru2 C59 N11 -32(12) . . . . ?
N7 Ru2 C59 N11 10(14) . . . . ?
C59 N11 C60 C65 -165(7) . . . . ?
C59 N11 C60 C61 14(8) . . . . ?
C65 C60 C61 C62 0.6(12) . . . . ?
N11 C60 C61 C62 -178.4(7) . . . . ?
C65 C60 C61 C66 -179.3(7) . . . . ?
N11 C60 C61 C66 1.7(11) . . . . ?
C60 C61 C62 C63 -1.2(12) . . . . ?
C66 C61 C62 C63 178.7(7) . . . . ?
C61 C62 C63 C64 0.9(12) . . . . ?
C62 C63 C64 C65 -0.1(13) . . . . ?
C61 C60 C65 C64 0.2(12) . . . . ?
N11 C60 C65 C64 179.2(7) . . . . ?
C61 C60 C65 C67 -179.7(8) . . . . ?
N11 C60 C65 C67 -0.7(12) . . . . ?
C63 C64 C65 C60 -0.5(12) . . . . ?
C63 C64 C65 C67 179.4(8) . . . . ?
C69 N12 C68 Ru2 -97(60) . . . . ?
C59 Ru2 C68 N12 -49(60) . . . . ?
N8 Ru2 C68 N12 49(60) . . . . ?
N10 Ru2 C68 N12 -142(60) . . . . ?
N9 Ru2 C68 N12 -169(100) . . . . ?
N7 Ru2 C68 N12 127(60) . . . . ?
C68 N12 C69 C74 -43(9) . . . . ?
C68 N12 C69 C70 138(8) . . . . ?
C74 C69 C70 C71 3.7(12) . . . . ?
N12 C69 C70 C71 -177.5(7) . . . . ?
C74 C69 C70 C75 -176.3(8) . . . . ?
N12 C69 C70 C75 2.5(11) . . . . ?
C69 C70 C71 C72 -2.2(12) . . . . ?
C75 C70 C71 C72 177.8(8) . . . . ?
C70 C71 C72 C73 1.5(13) . . . . ?
C71 C72 C73 C74 -1.9(13) . . . . ?
N12 C69 C74 C73 176.9(7) . . . . ?
C70 C69 C74 C73 -4.2(12) . . . . ?
N12 C69 C74 C76 -2.6(12) . . . . ?
C70 C69 C74 C76 176.3(7) . . . . ?
C72 C73 C74 C69 3.2(12) . . . . ?
C72 C73 C74 C76 -177.3(8) . . . . ?
