#------------------------------------------------------------------------------
#$Date: 2016-08-07 10:45:04 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185086 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/27/1542765.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_1542765
loop_
_publ_author_name
'Roeser, Stephan'
'Bozoglian, Fernando'
'Richmond, Craig J.'
'League, Aaron B.'
'Ertem, Mehmed Z.'
'Francàs, Laia'
'Miró, Pere'
'Benet-Buchholz, Jordi'
'Cramer, Christopher J.'
'Llobet, Antoni'
_publ_section_title
;
 Water oxidation catalysis with ligand substituted Ru--bpp type complexes
;
_journal_issue                   13
_journal_name_full               'Catal. Sci. Technol.'
_journal_page_first              5088
_journal_paper_doi               10.1039/C6CY00197A
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C50.5 H43.25 Cl2 N13.75 O10 Ru2'
_chemical_formula_weight         1275.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-10-23 deposited with the CCDC.
2016-03-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 112.382(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1819(15)
_cell_length_b                   26.556(2)
_cell_length_c                   15.5336(19)
_cell_measurement_reflns_used    9563
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34.43
_cell_measurement_theta_min      2.71
_cell_volume                     5790.9(10)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0710
_diffrn_reflns_av_sigmaI/netI    0.0903
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            80008
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         36.59
_diffrn_reflns_theta_min         1.53
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2578
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.992
_refine_diff_density_min         -2.069
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     848
_refine_ls_number_reflns         27011
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1422
_refine_ls_R_factor_gt           0.0942
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1060P)²+32.6003P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2548
_refine_ls_wR_factor_ref         0.2835
_reflns_number_gt                17043
_reflns_number_total             27011
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cy00197a2.cif
_cod_data_source_block           u30_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support' tag as specified in the
replacement file
'/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4268 2015-11-12 08:31:59Z antanas 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1542764--1542765.cif.
;
_cod_original_cell_volume        5791.0(10)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C50.50 H43.25 Cl2 N13.75 O10 Ru2'
_cod_database_code               1542765
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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
C1 C 0.5576(4) 0.8635(3) 1.4577(5) 0.0463(16) Uani 1 1 d . . .
H1 H 0.5441 0.8865 1.4074 0.056 Uiso 1 1 calc R . .
N1 N 0.6481(3) 0.84849(17) 1.5037(3) 0.0291(8) Uani 1 1 d . . .
Ru1 Ru 0.76783(2) 0.874586(12) 1.48655(3) 0.02106(8) Uani 1 1 d . A .
C1C C 0.7323(6) 0.7477(3) 1.2960(6) 0.0353(15) Uani 0.75 1 d P A 1
H1C1 H 0.6762 0.7363 1.2430 0.053 Uiso 0.75 1 calc PR A 1
H1C2 H 0.7530 0.7210 1.3431 0.053 Uiso 0.75 1 calc PR A 1
H1C3 H 0.7839 0.7554 1.2748 0.053 Uiso 0.75 1 calc PR A 1
O1C O 0.6311(4) 0.8161(2) 1.2889(4) 0.0255(11) Uani 0.75 1 d P A 1
O1C' O 0.6392(17) 0.8040(7) 1.2647(16) 0.034(5) Uani 0.25 1 d P A 2
C1C' C 0.6767(11) 0.7459(5) 1.3867(12) 0.021(3) Uani 0.25 1 d P A 2
H1CA H 0.6500 0.7577 1.4314 0.031 Uiso 0.25 1 calc PR A 2
H1CB H 0.7331 0.7252 1.4190 0.031 Uiso 0.25 1 calc PR A 2
H1CC H 0.6291 0.7257 1.3383 0.031 Uiso 0.25 1 calc PR A 2
C2 C 0.4836(5) 0.8467(4) 1.4810(7) 0.069(3) Uani 1 1 d . . .
H2 H 0.4206 0.8582 1.4473 0.083 Uiso 1 1 calc R . .
N2 N 0.8257(3) 0.82852(14) 1.5911(3) 0.0228(7) Uani 1 1 d . . .
Ru2 Ru 0.63554(3) 0.870374(13) 1.18945(3) 0.02448(9) Uani 1 1 d . . .
C2C C 0.7073(4) 0.79491(18) 1.3381(4) 0.0302(10) Uani 1 1 d . . .
O2C O 0.7727(3) 0.81181(14) 1.4042(3) 0.0356(9) Uani 1 1 d . A .
C3 C 0.5016(4) 0.8128(3) 1.5538(7) 0.062(2) Uani 1 1 d . . .
H3 H 0.4519 0.8014 1.5719 0.075 Uiso 1 1 calc R . .
N3 N 0.9101(3) 0.88434(15) 1.5109(3) 0.0237(7) Uani 1 1 d . . .
C4 C 0.5943(4) 0.7964(2) 1.5989(5) 0.0452(16) Uani 1 1 d . . .
H4 H 0.6085 0.7724 1.6476 0.054 Uiso 1 1 calc R . .
N4 N 0.9387(4) 0.7171(2) 1.7804(5) 0.0504(14) Uani 1 1 d . . .
H4A H 1.0004 0.7110 1.8023 0.061 Uiso 1 1 calc R . .
H4B H 0.9011 0.6988 1.7992 0.061 Uiso 1 1 calc R . .
C5 C 0.6663(3) 0.81464(19) 1.5739(4) 0.0296(10) Uani 1 1 d . . .
N5 N 0.7702(3) 0.93940(15) 1.5576(3) 0.0268(8) Uani 1 1 d . A .
C6 C 0.7677(3) 0.80072(17) 1.6198(4) 0.0269(9) Uani 1 1 d . . .
N6 N 0.7126(3) 0.92628(14) 1.3814(3) 0.0231(7) Uani 1 1 d . . .
C7 C 0.8043(4) 0.76269(19) 1.6854(4) 0.0307(10) Uani 1 1 d . . .
H7 H 0.7637 0.7434 1.7066 0.037 Uiso 1 1 calc R . .
N7 N 0.6840(3) 0.92467(14) 1.2894(3) 0.0253(7) Uani 1 1 d . A .
C8 C 0.9028(4) 0.75354(19) 1.7194(4) 0.0293(9) Uani 1 1 d . . .
N8 N 0.6307(3) 0.93277(16) 1.1113(3) 0.0288(8) Uani 1 1 d . A .
C9 C 0.9603(4) 0.7833(2) 1.6880(4) 0.0293(9) Uani 1 1 d . . .
H9 H 1.0271 0.7778 1.7116 0.035 Uiso 1 1 calc R . .
N9 N 0.4911(3) 0.87648(17) 1.1591(3) 0.0322(9) Uani 1 1 d . A .
C10 C 0.9204(3) 0.82063(17) 1.6229(3) 0.0249(8) Uani 1 1 d . . .
N10 N 0.5871(3) 0.82112(16) 1.0884(3) 0.0305(9) Uani 1 1 d . A .
C11 C 0.9692(3) 0.85378(18) 1.5798(3) 0.0249(8) Uani 1 1 d . . .
N11 N 0.7603(3) 0.84595(16) 1.1828(3) 0.0298(8) Uani 1 1 d . A .
C12 C 1.0666(4) 0.8547(2) 1.6036(4) 0.0333(10) Uani 1 1 d . . .
H12 H 1.1067 0.8332 1.6515 0.040 Uiso 1 1 calc R . .
C13 C 1.1061(4) 0.8870(2) 1.5575(5) 0.0375(12) Uani 1 1 d . . .
H13 H 1.1728 0.8874 1.5723 0.045 Uiso 1 1 calc R . .
C14 C 1.0464(4) 0.9183(2) 1.4900(4) 0.0356(11) Uani 1 1 d . . .
H14 H 1.0716 0.9411 1.4581 0.043 Uiso 1 1 calc R . .
C15 C 0.9493(4) 0.91639(19) 1.4688(4) 0.0278(9) Uani 1 1 d . . .
H15 H 0.9089 0.9386 1.4227 0.033 Uiso 1 1 calc R . .
C16 C 0.7963(4) 0.9427(2) 1.6504(4) 0.0352(11) Uani 1 1 d . . .
H16 H 0.8114 0.9126 1.6861 0.042 Uiso 1 1 calc R . .
C17 C 0.8020(5) 0.9882(2) 1.6963(5) 0.0450(15) Uani 1 1 d . . .
H17 H 0.8205 0.9890 1.7619 0.054 Uiso 1 1 calc R . .
C18 C 0.7802(5) 1.0323(2) 1.6445(5) 0.0433(14) Uani 1 1 d . . .
H18 H 0.7843 1.0639 1.6744 0.052 Uiso 1 1 calc R . .
C19 C 0.7525(4) 1.0298(2) 1.5488(5) 0.0355(11) Uani 1 1 d . A .
H19 H 0.7361 1.0596 1.5123 0.043 Uiso 1 1 calc R . .
C20 C 0.7489(4) 0.98306(17) 1.5066(4) 0.0285(9) Uani 1 1 d . . .
C21 C 0.7200(3) 0.97564(16) 1.4086(4) 0.0268(9) Uani 1 1 d . A .
C22 C 0.6984(4) 1.00678(17) 1.3314(4) 0.0301(10) Uani 1 1 d . . .
H22 H 0.6985 1.0425 1.3297 0.036 Uiso 1 1 calc R A .
C23 C 0.6764(3) 0.97324(17) 1.2571(4) 0.0278(9) Uani 1 1 d . A .
C24 C 0.6499(4) 0.97751(18) 1.1582(4) 0.0299(10) Uani 1 1 d . . .
C25 C 0.6460(5) 1.0232(2) 1.1112(4) 0.0388(12) Uani 1 1 d . A .
H25 H 0.6590 1.0542 1.1444 0.047 Uiso 1 1 calc R . .
C26 C 0.6229(6) 1.0225(2) 1.0164(5) 0.0506(17) Uani 1 1 d . . .
H26 H 0.6207 1.0531 0.9838 0.061 Uiso 1 1 calc R A .
C27 C 0.6027(6) 0.9767(3) 0.9680(5) 0.0490(16) Uani 1 1 d . A .
H27 H 0.5862 0.9756 0.9026 0.059 Uiso 1 1 calc R . .
C28 C 0.6074(5) 0.9332(2) 1.0187(4) 0.0378(12) Uani 1 1 d . . .
H28 H 0.5935 0.9020 0.9864 0.045 Uiso 1 1 calc R A .
C29 C 0.4475(4) 0.9062(2) 1.1985(4) 0.0361(12) Uani 1 1 d . . .
H29 H 0.4852 0.9287 1.2456 0.043 Uiso 1 1 calc R A .
C30 C 0.3485(4) 0.9064(3) 1.1746(5) 0.0464(15) Uani 1 1 d . A .
H30 H 0.3202 0.9275 1.2062 0.056 Uiso 1 1 calc R . .
C31 C 0.2939(5) 0.8750(3) 1.1043(6) 0.056(2) Uani 1 1 d . . .
H31 H 0.2266 0.8741 1.0857 0.068 Uiso 1 1 calc R A .
C32 C 0.3388(5) 0.8447(3) 1.0612(5) 0.0504(18) Uani 1 1 d . A .
H32 H 0.3021 0.8232 1.0116 0.061 Uiso 1 1 calc R . .
C33 C 0.4375(4) 0.8455(2) 1.0902(4) 0.0348(11) Uani 1 1 d . . .
C34 C 0.4911(4) 0.8128(2) 1.0513(4) 0.0340(11) Uani 1 1 d . A .
C35 C 0.4550(5) 0.7747(3) 0.9858(5) 0.0457(15) Uani 1 1 d . . .
H35 H 0.3886 0.7680 0.9595 0.055 Uiso 1 1 calc R A .
C36 C 0.5183(5) 0.7467(3) 0.9595(5) 0.0521(18) Uani 1 1 d . A .
H36 H 0.4946 0.7212 0.9136 0.062 Uiso 1 1 calc R . .
C37 C 0.6174(5) 0.7558(2) 1.0004(4) 0.0421(13) Uani 1 1 d . . .
H37 H 0.6609 0.7362 0.9838 0.051 Uiso 1 1 calc R A .
C38 C 0.6491(4) 0.79399(19) 1.0652(4) 0.0335(11) Uani 1 1 d . A .
C39 C 0.7485(4) 0.80907(19) 1.1178(4) 0.0313(10) Uani 1 1 d . . .
C40 C 0.8257(5) 0.7876(3) 1.1053(5) 0.0468(15) Uani 1 1 d . A .
H40 H 0.8160 0.7617 1.0604 0.056 Uiso 1 1 calc R . .
C41 C 0.9170(5) 0.8036(3) 1.1581(6) 0.057(2) Uani 1 1 d . . .
H41 H 0.9704 0.7898 1.1489 0.069 Uiso 1 1 calc R A .
C42 C 0.9286(5) 0.8407(3) 1.2251(6) 0.0536(19) Uani 1 1 d . A .
H42 H 0.9905 0.8519 1.2637 0.064 Uiso 1 1 calc R . .
C43 C 0.8490(4) 0.8611(3) 1.2347(5) 0.0404(13) Uani 1 1 d . . .
H43 H 0.8574 0.8867 1.2798 0.048 Uiso 1 1 calc R A .
Cl1A Cl 0.71311(9) 0.68253(5) 0.83986(10) 0.0342(3) Uani 1 1 d . . .
O1A O 0.6691(4) 0.65164(18) 0.8882(4) 0.0511(12) Uani 1 1 d . . .
O2A O 0.6407(3) 0.7103(2) 0.7684(5) 0.071(2) Uani 1 1 d . . .
O3A O 0.7769(4) 0.7190(2) 0.9023(4) 0.0577(14) Uani 1 1 d . . .
O4A O 0.7674(4) 0.65262(19) 0.8011(4) 0.0485(11) Uani 1 1 d . . .
Cl1B Cl 0.38389(16) 0.85615(8) 0.74118(17) 0.0432(4) Uani 0.75 1 d P B 1
O1B O 0.4218(6) 0.8059(2) 0.7540(6) 0.062(2) Uani 0.75 1 d P B 1
O2B O 0.3028(7) 0.8617(4) 0.7640(8) 0.069(3) Uani 0.75 1 d P B 1
O3B O 0.3541(7) 0.8699(3) 0.6473(6) 0.069(2) Uani 0.75 1 d P B 1
O4B O 0.4556(6) 0.8907(3) 0.7959(7) 0.075(3) Uani 0.75 1 d P B 1
Cl1' Cl 0.3401(6) 0.8367(3) 0.7501(6) 0.058(2) Uani 0.25 1 d P C 2
O1B' O 0.303(2) 0.7909(13) 0.766(2) 0.092(9) Uani 0.25 1 d PU C 2
O2B' O 0.267(3) 0.8648(16) 0.774(3) 0.097(13) Uani 0.25 1 d PU C 2
O3B' O 0.317(3) 0.8317(19) 0.641(3) 0.126(14) Uani 0.25 1 d PU C 2
O4B' O 0.417(3) 0.8558(14) 0.835(3) 0.100(10) Uani 0.25 1 d PU C 2
C2R C -0.0320(17) 0.4485(10) 0.8608(18) 0.190(10) Uani 1 1 d U . .
H2RA H 0.0339 0.4366 0.8889 0.285 Uiso 0.75 1 calc PR D 1
H2RB H -0.0569 0.4420 0.7936 0.285 Uiso 0.75 1 calc PR D 1
H2RC H -0.0710 0.4307 0.8888 0.285 Uiso 0.75 1 calc PR D 1
H2RD H -0.0760 0.4221 0.8589 0.285 Uiso 0.25 1 d PR D 2
H2RE H -0.0575 0.4682 0.8049 0.285 Uiso 0.25 1 d PR D 2
H2RF H 0.0276 0.4340 0.8656 0.285 Uiso 0.25 1 d PR D 2
C1R C -0.0344(10) 0.4926(6) 0.8742(13) 0.081(4) Uani 0.75 1 d P E 1
N1R N -0.0435(13) 0.5330(8) 0.8784(14) 0.132(6) Uani 0.75 1 d P E 1
C1R' C -0.017(3) 0.4767(18) 0.960(4) 0.081(12) Uani 0.25 1 d PU . 2
N1R' N 0.0000 0.5000 1.0000 0.107(11) Uani 0.50 2 d SPU . 2
N1T N 0.6239(9) 0.7038(6) 1.4365(10) 0.099(5) Uani 0.75 1 d P F 1
C1T C 0.5506(9) 0.6978(5) 1.4377(10) 0.074(4) Uani 0.75 1 d P F 1
C2T C 0.4527(12) 0.6860(7) 1.4324(13) 0.099(5) Uani 0.75 1 d PU F 1
H2T1 H 0.4268 0.6576 1.3900 0.149 Uiso 0.75 1 calc PR F 1
H2T2 H 0.4117 0.7155 1.4092 0.149 Uiso 0.75 1 calc PR F 1
H2T3 H 0.4550 0.6772 1.4946 0.149 Uiso 0.75 1 calc PR F 1
N1S N 0.4348(11) 0.4984(7) 0.7872(12) 0.065(4) Uani 0.50 1 d P . .
C1S C 0.4164(13) 0.4669(8) 0.7474(13) 0.061(4) Uani 0.50 1 d P . .
C2S C 0.3965(18) 0.4261(9) 0.6917(16) 0.085(6) Uani 0.50 1 d PU . .
H2S1 H 0.3677 0.4367 0.6265 0.128 Uiso 0.50 1 calc PR . .
H2S2 H 0.3519 0.4043 0.7063 0.128 Uiso 0.50 1 calc PR . .
H2S3 H 0.4554 0.4075 0.7020 0.128 Uiso 0.50 1 calc PR . .
N1O N 0.282(2) 0.6034(13) 1.341(2) 0.079(9) Uani 0.25 1 d PDU . .
C1O C 0.2182(15) 0.6302(8) 1.3369(15) 0.036(4) Uani 0.25 1 d PDU . .
C2O C 0.1508(15) 0.6682(7) 1.3357(17) 0.039(5) Uani 0.25 1 d PDU . .
H2O1 H 0.1368 0.6654 1.3921 0.058 Uiso 0.25 1 calc PR . .
H2O2 H 0.0920 0.6636 1.2808 0.058 Uiso 0.25 1 calc PR . .
H2O3 H 0.1776 0.7015 1.3335 0.058 Uiso 0.25 1 calc PR . .
N1U N 0.378(3) 0.4685(11) 0.458(2) 0.084(10) Uani 0.25 1 d PDU . .
C1U C 0.366(3) 0.5088(13) 0.488(3) 0.084(12) Uani 0.25 1 d PDU . .
C2U C 0.383(2) 0.5500(11) 0.554(2) 0.053(7) Uani 0.25 1 d PDU . .
H2U1 H 0.3688 0.5387 0.6073 0.079 Uiso 0.25 1 calc PR . .
H2U2 H 0.3414 0.5784 0.5237 0.079 Uiso 0.25 1 calc PR . .
H2U3 H 0.4496 0.5606 0.5752 0.079 Uiso 0.25 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
N1 C1 C2 122.3(6) .
C1 N1 C5 118.4(5) .
C1 N1 Ru1 127.4(4) .
C5 N1 Ru1 114.1(3) .
N2 Ru1 N5 99.74(17) .
N2 Ru1 N6 176.51(16) .
N5 Ru1 N6 77.48(17) .
N2 Ru1 N1 79.72(16) .
N5 Ru1 N1 92.83(18) .
N6 Ru1 N1 102.42(16) .
N2 Ru1 N3 79.50(16) .
N5 Ru1 N3 89.59(16) .
N6 Ru1 N3 98.28(16) .
N1 Ru1 N3 159.19(17) .
N2 Ru1 O2C 84.35(17) .
N5 Ru1 O2C 173.57(18) .
N6 Ru1 O2C 98.24(17) .
N1 Ru1 O2C 92.79(18) .
N3 Ru1 O2C 86.26(15) .
C2C O1C Ru2 118.0(4) .
C2C O1C' Ru2 120.8(14) .
C1 C2 C3 119.8(6) .
C10 N2 C6 122.3(4) .
C10 N2 Ru1 118.8(3) .
C6 N2 Ru1 118.3(3) .
N10 Ru2 N8 98.52(18) .
N10 Ru2 N7 176.91(16) .
N8 Ru2 N7 78.44(17) .
N10 Ru2 N11 79.63(19) .
N8 Ru2 N11 92.97(18) .
N7 Ru2 N11 100.97(17) .
N10 Ru2 N9 80.1(2) .
N8 Ru2 N9 90.35(17) .
N7 Ru2 N9 99.32(18) .
N11 Ru2 N9 159.70(19) .
N10 Ru2 O1C' 78.9(5) .
N8 Ru2 O1C' 177.4(5) .
N7 Ru2 O1C' 104.1(5) .
N11 Ru2 O1C' 86.2(6) .
N9 Ru2 O1C' 89.6(7) .
N10 Ru2 O1C 91.3(2) .
N8 Ru2 O1C 167.6(2) .
N7 Ru2 O1C 91.6(2) .
N11 Ru2 O1C 96.2(2) .
N9 Ru2 O1C 83.95(19) .
O1C' Ru2 O1C 14.7(5) .
O2C C2C O1C' 146.9(10) .
O2C C2C O1C 128.4(5) .
O1C' C2C O1C 25.2(8) .
O2C C2C C1C 114.2(5) .
O1C' C2C C1C 91.2(9) .
O1C C2C C1C 115.5(6) .
O2C C2C C1C' 100.8(6) .
O1C' C2C C1C' 107.0(13) .
O1C C2C C1C' 106.1(7) .
C1C C2C C1C' 73.1(8) .
C2C O2C Ru1 126.7(3) .
C4 C3 C2 117.6(6) .
C15 N3 C11 118.4(4) .
C15 N3 Ru1 128.2(3) .
C11 N3 Ru1 113.4(3) .
C5 C4 C3 120.6(6) .
N1 C5 C4 121.2(5) .
N1 C5 C6 114.1(4) .
C4 C5 C6 124.6(5) .
C16 N5 C20 118.1(4) .
C16 N5 Ru1 125.0(4) .
C20 N5 Ru1 116.8(3) .
N2 C6 C7 120.7(4) .
N2 C6 C5 113.3(4) .
C7 C6 C5 126.0(5) .
N7 N6 C21 108.5(4) .
N7 N6 Ru1 134.6(3) .
C21 N6 Ru1 115.8(3) .
C6 C7 C8 118.2(5) .
N6 N7 C23 108.1(4) .
N6 N7 Ru2 135.9(3) .
C23 N7 Ru2 115.5(3) .
N4 C8 C9 121.6(5) .
N4 C8 C7 119.2(5) .
C9 C8 C7 119.2(4) .
C28 N8 C24 118.7(4) .
C28 N8 Ru2 125.4(4) .
C24 N8 Ru2 115.9(3) .
C10 C9 C8 120.3(5) .
C29 N9 C33 118.3(5) .
C29 N9 Ru2 128.1(4) .
C33 N9 Ru2 113.6(4) .
N2 C10 C9 119.3(4) .
N2 C10 C11 113.2(4) .
C9 C10 C11 127.5(4) .
C38 N10 C34 123.1(5) .
C38 N10 Ru2 119.2(4) .
C34 N10 Ru2 117.4(4) .
N3 C11 C12 121.0(5) .
N3 C11 C10 114.7(4) .
C12 C11 C10 124.3(5) .
C43 N11 C39 118.6(5) .
C43 N11 Ru2 127.8(4) .
C39 N11 Ru2 113.6(3) .
C11 C12 C13 120.0(5) .
C14 C13 C12 118.6(5) .
C13 C14 C15 119.5(5) .
N3 C15 C14 122.5(5) .
N5 C16 C17 122.9(6) .
C16 C17 C18 118.8(6) .
C19 C18 C17 119.3(5) .
C18 C19 C20 119.2(5) .
N5 C20 C19 121.5(5) .
N5 C20 C21 114.1(4) .
C19 C20 C21 124.4(5) .
N6 C21 C22 109.8(5) .
N6 C21 C20 114.6(4) .
C22 C21 C20 135.5(4) .
C21 C22 C23 103.8(4) .
N7 C23 C22 109.7(4) .
N7 C23 C24 114.5(4) .
C22 C23 C24 135.7(4) .
N8 C24 C25 121.0(5) .
N8 C24 C23 114.7(4) .
C25 C24 C23 124.2(5) .
C26 C25 C24 119.1(6) .
C25 C26 C27 120.0(5) .
C28 C27 C26 117.8(6) .
N8 C28 C27 123.4(6) .
N9 C29 C30 123.7(6) .
C31 C30 C29 118.0(7) .
C30 C31 C32 118.6(6) .
C31 C32 C33 120.3(7) .
N9 C33 C32 121.1(7) .
N9 C33 C34 115.2(5) .
C32 C33 C34 123.7(6) .
N10 C34 C35 119.1(6) .
N10 C34 C33 113.6(5) .
C35 C34 C33 127.3(5) .
C34 C35 C36 118.6(6) .
C35 C36 C37 120.8(6) .
C38 C37 C36 117.9(7) .
N10 C38 C37 120.4(5) .
N10 C38 C39 112.4(5) .
C37 C38 C39 127.1(6) .
N11 C39 C40 121.3(5) .
N11 C39 C38 115.0(5) .
C40 C39 C38 123.7(5) .
C41 C40 C39 120.1(6) .
C40 C41 C42 118.3(6) .
C43 C42 C41 119.3(6) .
N11 C43 C42 122.4(6) .
O4A Cl1A O2A 110.7(4) .
O4A Cl1A O1A 111.1(3) .
O2A Cl1A O1A 109.0(3) .
O4A Cl1A O3A 107.9(3) .
O2A Cl1A O3A 107.2(4) .
O1A Cl1A O3A 110.9(4) .
O3B Cl1B O2B 105.4(7) .
O3B Cl1B O4B 108.8(6) .
O2B Cl1B O4B 108.9(5) .
O3B Cl1B O1B 109.9(5) .
O2B Cl1B O1B 113.8(6) .
O4B Cl1B O1B 109.9(5) .
O1B' Cl1' O4B' 112(2) .
O1B' Cl1' O2B' 90(2) .
O4B' Cl1' O2B' 91(2) .
O1B' Cl1' O3B' 100(2) .
O4B' Cl1' O3B' 139(2) .
O2B' Cl1' O3B' 115(2) .
C1R C2R C1R' 53(2) .
N1R C1R C2R 173(3) .
N1R' C1R' C2R 156(5) .
N1R' C1R' C1R' 0.002(18) 3_567
C2R C1R' C1R' 156(5) 3_567
C1R' N1R' C1R' 180.00(5) 3_567
N1T C1T C2T 175(2) .
N1S C1S C2S 176(2) .
N1O C1O C2O 172(3) .
N1U C1U C2U 158(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.346(7) .
C1 C2 1.378(9) .
N1 C5 1.359(7) .
N1 Ru1 2.055(4) .
Ru1 N2 1.955(4) .
Ru1 N5 2.037(4) .
Ru1 N6 2.052(4) .
Ru1 N3 2.062(4) .
Ru1 O2C 2.120(4) .
C1C C2C 1.529(9) .
O1C C2C 1.251(7) .
O1C Ru2 2.133(6) .
O1C' C2C 1.24(2) .
O1C' Ru2 2.10(2) .
C1C' C2C 1.657(16) .
C2 C3 1.387(11) .
N2 C10 1.346(6) .
N2 C6 1.350(6) .
Ru2 N10 1.958(5) .
Ru2 N8 2.039(4) .
Ru2 N7 2.040(4) .
Ru2 N11 2.042(5) .
Ru2 N9 2.066(5) .
C2C O2C 1.210(6) .
C3 C4 1.382(9) .
N3 C15 1.344(6) .
N3 C11 1.370(6) .
C4 C5 1.380(7) .
N4 C8 1.319(8) .
C5 C6 1.476(7) .
N5 C16 1.345(7) .
N5 C20 1.371(7) .
C6 C7 1.391(7) .
N6 N7 1.327(6) .
N6 C21 1.369(6) .
C7 C8 1.405(7) .
N7 C23 1.373(6) .
C8 C9 1.396(7) .
N8 C28 1.343(7) .
N8 C24 1.366(7) .
C9 C10 1.381(7) .
N9 C29 1.321(8) .
N9 C33 1.348(7) .
C10 C11 1.467(7) .
N10 C38 1.339(8) .
N10 C34 1.365(7) .
C11 C12 1.381(7) .
N11 C43 1.340(7) .
N11 C39 1.369(7) .
C12 C13 1.392(8) .
C13 C14 1.374(9) .
C14 C15 1.383(7) .
C16 C17 1.387(8) .
C17 C18 1.389(10) .
C18 C19 1.383(9) .
C19 C20 1.396(7) .
C20 C21 1.428(8) .
C21 C22 1.389(7) .
C22 C23 1.394(8) .
C23 C24 1.436(8) .
C24 C25 1.406(7) .
C25 C26 1.379(9) .
C26 C27 1.401(10) .
C27 C28 1.386(8) .
C29 C30 1.404(8) .
C30 C31 1.373(12) .
C31 C32 1.380(12) .
C32 C33 1.391(8) .
C33 C34 1.469(9) .
C34 C35 1.390(9) .
C35 C36 1.394(11) .
C36 C37 1.413(10) .
C37 C38 1.381(8) .
C38 C39 1.472(8) .
C39 C40 1.383(8) .
C40 C41 1.381(10) .
C41 C42 1.395(10) .
C42 C43 1.384(9) .
Cl1A O4A 1.432(5) .
Cl1A O2A 1.433(5) .
Cl1A O1A 1.437(5) .
Cl1A O3A 1.450(5) .
Cl1B O3B 1.400(9) .
Cl1B O2B 1.413(9) .
Cl1B O4B 1.431(8) .
Cl1B O1B 1.438(6) .
Cl1' O1B' 1.40(3) .
Cl1' O4B' 1.48(4) .
Cl1' O2B' 1.50(4) .
Cl1' O3B' 1.60(5) .
C2R C1R 1.19(3) .
C2R C1R' 1.65(6) .
C1R N1R 1.09(2) .
C1R' N1R' 0.84(5) .
C1R' C1R' 1.69(10) 3_567
N1R' C1R' 0.84(5) 3_567
N1T C1T 1.131(17) .
C1T C2T 1.49(2) .
N1S C1S 1.01(2) .
C1S C2S 1.35(3) .
N1O C1O 1.187(9) .
C1O C2O 1.431(9) .
N1U C1U 1.204(10) .
C1U C2U 1.456(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_4
C2 C1 N1 C5 1.7(12) .
C2 C1 N1 Ru1 -173.8(7) .
C1 N1 Ru1 N2 175.7(6) .
C5 N1 Ru1 N2 0.1(4) .
C1 N1 Ru1 N5 76.3(6) .
C5 N1 Ru1 N5 -99.3(4) .
C1 N1 Ru1 N6 -1.5(6) .
C5 N1 Ru1 N6 -177.1(4) .
C1 N1 Ru1 N3 172.6(6) .
C5 N1 Ru1 N3 -3.0(8) .
C1 N1 Ru1 O2C -100.6(6) .
C5 N1 Ru1 O2C 83.8(4) .
N1 C1 C2 C3 -0.4(15) .
N5 Ru1 N2 C10 -93.6(4) .
N6 Ru1 N2 C10 -57(3) .
N1 Ru1 N2 C10 175.2(4) .
N3 Ru1 N2 C10 -5.9(3) .
O2C Ru1 N2 C10 81.3(4) .
N5 Ru1 N2 C6 95.4(4) .
N6 Ru1 N2 C6 132(3) .
N1 Ru1 N2 C6 4.3(4) .
N3 Ru1 N2 C6 -176.8(4) .
O2C Ru1 N2 C6 -89.6(4) .
C2C O1C' Ru2 N10 138.8(16) .
C2C O1C' Ru2 N8 129(14) .
C2C O1C' Ru2 N7 -41.8(16) .
C2C O1C' Ru2 N11 58.6(14) .
C2C O1C' Ru2 N9 -141.3(15) .
C2C O1C' Ru2 O1C -74(2) .
C2C O1C Ru2 N10 100.2(5) .
C2C O1C Ru2 N8 -116.9(9) .
C2C O1C Ru2 N7 -80.7(5) .
C2C O1C Ru2 N11 20.5(6) .
C2C O1C Ru2 N9 -179.9(6) .
C2C O1C Ru2 O1C' 68(3) .
Ru2 O1C' C2C O2C 24(3) .
Ru2 O1C' C2C O1C 78(2) .
Ru2 O1C' C2C C1C -117.5(12) .
Ru2 O1C' C2C C1C' 169.9(12) .
Ru2 O1C C2C O2C 75.7(8) .
Ru2 O1C C2C O1C' -70(3) .
Ru2 O1C C2C C1C -87.1(6) .
Ru2 O1C C2C C1C' -165.7(7) .
O1C' C2C O2C Ru1 46(2) .
O1C C2C O2C Ru1 19.7(10) .
C1C C2C O2C Ru1 -177.2(4) .
C1C' C2C O2C Ru1 -101.1(8) .
N2 Ru1 O2C C2C 128.4(5) .
N5 Ru1 O2C C2C -101.9(14) .
N6 Ru1 O2C C2C -54.0(5) .
N1 Ru1 O2C C2C 49.0(5) .
N3 Ru1 O2C C2C -151.8(5) .
C1 C2 C3 C4 -1.5(16) .
N2 Ru1 N3 C15 -176.2(4) .
N5 Ru1 N3 C15 -76.2(4) .
N6 Ru1 N3 C15 1.0(4) .
N1 Ru1 N3 C15 -173.1(5) .
O2C Ru1 N3 C15 98.8(4) .
N2 Ru1 N3 C11 3.2(3) .
N5 Ru1 N3 C11 103.2(3) .
N6 Ru1 N3 C11 -179.5(3) .
N1 Ru1 N3 C11 6.3(7) .
O2C Ru1 N3 C11 -81.7(3) .
C2 C3 C4 C5 2.2(14) .
C1 N1 C5 C4 -0.9(9) .
Ru1 N1 C5 C4 175.1(5) .
C1 N1 C5 C6 -179.9(6) .
Ru1 N1 C5 C6 -3.9(6) .
C3 C4 C5 N1 -1.0(11) .
C3 C4 C5 C6 177.9(7) .
N2 Ru1 N5 C16 -6.5(4) .
N6 Ru1 N5 C16 175.7(4) .
N1 Ru1 N5 C16 73.6(4) .
N3 Ru1 N5 C16 -85.8(4) .
O2C Ru1 N5 C16 -135.6(13) .
N2 Ru1 N5 C20 169.5(3) .
N6 Ru1 N5 C20 -8.3(3) .
N1 Ru1 N5 C20 -110.4(4) .
N3 Ru1 N5 C20 90.3(4) .
O2C Ru1 N5 C20 40.4(16) .
C10 N2 C6 C7 0.9(8) .
Ru1 N2 C6 C7 171.5(4) .
C10 N2 C6 C5 -178.1(5) .
Ru1 N2 C6 C5 -7.5(6) .
N1 C5 C6 N2 7.3(7) .
C4 C5 C6 N2 -171.6(6) .
N1 C5 C6 C7 -171.6(5) .
C4 C5 C6 C7 9.4(10) .
N2 Ru1 N6 N7 140(3) .
N5 Ru1 N6 N7 177.0(4) .
N1 Ru1 N6 N7 -92.8(4) .
N3 Ru1 N6 N7 89.3(4) .
O2C Ru1 N6 N7 1.9(4) .
N2 Ru1 N6 C21 -27(3) .
N5 Ru1 N6 C21 10.5(3) .
N1 Ru1 N6 C21 100.6(3) .
N3 Ru1 N6 C21 -77.2(3) .
O2C Ru1 N6 C21 -164.6(3) .
N2 C6 C7 C8 -1.1(8) .
C5 C6 C7 C8 177.8(5) .
C21 N6 N7 C23 2.3(5) .
Ru1 N6 N7 C23 -164.9(3) .
C21 N6 N7 Ru2 -168.6(4) .
Ru1 N6 N7 Ru2 24.2(7) .
N10 Ru2 N7 N6 169(3) .
N8 Ru2 N7 N6 179.3(5) .
N11 Ru2 N7 N6 -89.9(5) .
N9 Ru2 N7 N6 90.9(5) .
O1C' Ru2 N7 N6 -1.1(8) .
O1C Ru2 N7 N6 6.8(5) .
N10 Ru2 N7 C23 -1(4) .
N8 Ru2 N7 C23 8.8(3) .
N11 Ru2 N7 C23 99.6(4) .
N9 Ru2 N7 C23 -79.6(4) .
O1C' Ru2 N7 C23 -171.6(7) .
O1C Ru2 N7 C23 -163.7(4) .
C6 C7 C8 N4 -178.8(6) .
C6 C7 C8 C9 1.3(8) .
N10 Ru2 N8 C28 -4.9(5) .
N7 Ru2 N8 C28 175.6(5) .
N11 Ru2 N8 C28 75.0(5) .
N9 Ru2 N8 C28 -84.9(5) .
O1C' Ru2 N8 C28 4(15) .
O1C Ru2 N8 C28 -147.3(9) .
N10 Ru2 N8 C24 172.8(4) .
N7 Ru2 N8 C24 -6.7(4) .
N11 Ru2 N8 C24 -107.3(4) .
N9 Ru2 N8 C24 92.7(4) .
O1C' Ru2 N8 C24 -178(100) .
O1C Ru2 N8 C24 30.4(11) .
N4 C8 C9 C10 178.8(6) .
C7 C8 C9 C10 -1.3(8) .
N10 Ru2 N9 C29 -179.5(5) .
N8 Ru2 N9 C29 -80.9(4) .
N7 Ru2 N9 C29 -2.6(5) .
N11 Ru2 N9 C29 179.5(5) .
O1C' Ru2 N9 C29 101.7(6) .
O1C Ru2 N9 C29 88.1(5) .
N10 Ru2 N9 C33 0.6(3) .
N8 Ru2 N9 C33 99.2(4) .
N7 Ru2 N9 C33 177.5(3) .
N11 Ru2 N9 C33 -0.4(7) .
O1C' Ru2 N9 C33 -78.2(6) .
O1C Ru2 N9 C33 -91.8(4) .
C6 N2 C10 C9 -0.8(7) .
Ru1 N2 C10 C9 -171.4(4) .
C6 N2 C10 C11 177.8(4) .
Ru1 N2 C10 C11 7.2(5) .
C8 C9 C10 N2 1.0(8) .
C8 C9 C10 C11 -177.3(5) .
N8 Ru2 N10 C38 94.9(4) .
N7 Ru2 N10 C38 105(3) .
N11 Ru2 N10 C38 3.4(4) .
N9 Ru2 N10 C38 -176.2(4) .
O1C' Ru2 N10 C38 -84.6(8) .
O1C Ru2 N10 C38 -92.6(4) .
N8 Ru2 N10 C34 -91.3(4) .
N7 Ru2 N10 C34 -81(3) .
N11 Ru2 N10 C34 177.2(4) .
N9 Ru2 N10 C34 -2.5(4) .
O1C' Ru2 N10 C34 89.1(7) .
O1C Ru2 N10 C34 81.2(4) .
C15 N3 C11 C12 -1.9(7) .
Ru1 N3 C11 C12 178.6(4) .
C15 N3 C11 C10 179.1(4) .
Ru1 N3 C11 C10 -0.4(5) .
N2 C10 C11 N3 -4.2(6) .
C9 C10 C11 N3 174.3(5) .
N2 C10 C11 C12 176.8(5) .
C9 C10 C11 C12 -4.7(9) .
N10 Ru2 N11 C43 179.6(6) .
N8 Ru2 N11 C43 81.5(5) .
N7 Ru2 N11 C43 2.7(6) .
N9 Ru2 N11 C43 -179.5(5) .
O1C' Ru2 N11 C43 -101.0(7) .
O1C Ru2 N11 C43 -90.2(6) .
N10 Ru2 N11 C39 -1.7(4) .
N8 Ru2 N11 C39 -99.8(4) .
N7 Ru2 N11 C39 -178.6(4) .
N9 Ru2 N11 C39 -0.8(7) .
O1C' Ru2 N11 C39 77.7(6) .
O1C Ru2 N11 C39 88.5(4) .
N3 C11 C12 C13 0.0(8) .
C10 C11 C12 C13 179.0(5) .
C11 C12 C13 C14 1.4(9) .
C12 C13 C14 C15 -1.0(9) .
C11 N3 C15 C14 2.4(8) .
Ru1 N3 C15 C14 -178.2(4) .
C13 C14 C15 N3 -0.9(9) .
C20 N5 C16 C17 0.3(8) .
Ru1 N5 C16 C17 176.2(5) .
N5 C16 C17 C18 -0.2(10) .
C16 C17 C18 C19 0.7(10) .
C17 C18 C19 C20 -1.3(9) .
C16 N5 C20 C19 -0.8(7) .
Ru1 N5 C20 C19 -177.1(4) .
C16 N5 C20 C21 -178.7(4) .
Ru1 N5 C20 C21 5.0(5) .
C18 C19 C20 N5 1.4(8) .
C18 C19 C20 C21 179.0(5) .
N7 N6 C21 C22 -2.0(5) .
Ru1 N6 C21 C22 167.9(3) .
N7 N6 C21 C20 179.0(4) .
Ru1 N6 C21 C20 -11.1(5) .
N5 C20 C21 N6 4.0(6) .
C19 C20 C21 N6 -173.8(5) .
N5 C20 C21 C22 -174.6(5) .
C19 C20 C21 C22 7.6(9) .
N6 C21 C22 C23 0.9(5) .
C20 C21 C22 C23 179.5(6) .
N6 N7 C23 C22 -1.8(5) .
Ru2 N7 C23 C22 171.2(3) .
N6 N7 C23 C24 177.4(4) .
Ru2 N7 C23 C24 -9.6(6) .
C21 C22 C23 N7 0.6(6) .
C21 C22 C23 C24 -178.4(6) .
C28 N8 C24 C25 -0.3(8) .
Ru2 N8 C24 C25 -178.1(4) .
C28 N8 C24 C23 -178.5(5) .
Ru2 N8 C24 C23 3.6(6) .
N7 C23 C24 N8 3.9(7) .
C22 C23 C24 N8 -177.2(6) .
N7 C23 C24 C25 -174.3(5) .
C22 C23 C24 C25 4.6(10) .
N8 C24 C25 C26 -0.4(9) .
C23 C24 C25 C26 177.7(6) .
C24 C25 C26 C27 0.7(11) .
C25 C26 C27 C28 -0.4(12) .
C24 N8 C28 C27 0.6(9) .
Ru2 N8 C28 C27 178.3(5) .
C26 C27 C28 N8 -0.3(11) .
C33 N9 C29 C30 2.0(8) .
Ru2 N9 C29 C30 -177.9(4) .
N9 C29 C30 C31 -2.2(9) .
C29 C30 C31 C32 0.4(10) .
C30 C31 C32 C33 1.3(10) .
C29 N9 C33 C32 -0.1(8) .
Ru2 N9 C33 C32 179.8(4) .
C29 N9 C33 C34 -178.7(4) .
Ru2 N9 C33 C34 1.2(6) .
C31 C32 C33 N9 -1.5(9) .
C31 C32 C33 C34 176.9(6) .
C38 N10 C34 C35 -0.3(8) .
Ru2 N10 C34 C35 -173.8(4) .
C38 N10 C34 C33 177.3(5) .
Ru2 N10 C34 C33 3.8(6) .
N9 C33 C34 N10 -3.2(7) .
C32 C33 C34 N10 178.3(5) .
N9 C33 C34 C35 174.2(5) .
C32 C33 C34 C35 -4.4(9) .
N10 C34 C35 C36 -0.8(9) .
C33 C34 C35 C36 -178.1(6) .
C34 C35 C36 C37 1.8(10) .
C35 C36 C37 C38 -1.6(10) .
C34 N10 C38 C37 0.5(8) .
Ru2 N10 C38 C37 173.9(4) .
C34 N10 C38 C39 -177.7(5) .
Ru2 N10 C38 C39 -4.3(6) .
C36 C37 C38 N10 0.5(9) .
C36 C37 C38 C39 178.4(6) .
C43 N11 C39 C40 0.1(9) .
Ru2 N11 C39 C40 -178.8(5) .
C43 N11 C39 C38 178.8(5) .
Ru2 N11 C39 C38 0.0(6) .
N10 C38 C39 N11 2.6(7) .
C37 C38 C39 N11 -175.4(6) .
N10 C38 C39 C40 -178.6(6) .
C37 C38 C39 C40 3.3(10) .
N11 C39 C40 C41 -0.9(11) .
C38 C39 C40 C41 -179.5(7) .
C39 C40 C41 C42 1.7(13) .
C40 C41 C42 C43 -1.8(14) .
C39 N11 C43 C42 -0.2(10) .
Ru2 N11 C43 C42 178.4(6) .
C41 C42 C43 N11 1.1(13) .
C1R' C2R C1R N1R -141(21) .
C1R C2R C1R' N1R' -32(11) .
C1R C2R C1R' C1R' -32(11) 3_567
C2R C1R' N1R' C1R' 39(19) 3_567
