#------------------------------------------------------------------------------
#$Date: 2020-12-09 05:15:21 +0200 (Wed, 09 Dec 2020) $
#$Revision: 259694 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/58/7705878.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_7705878
loop_
_publ_author_name
'Lavrova, Maria A.'
'Mishurinskiy, Sergey A.'
'Smirnov, Daniil E.'
'Kalle, Paulina'
'Krivogina, Ekaterina V.'
'Kozyukhin, Sergey A.'
'Emets, Viktor V.'
'Mariasina, Sofia S.'
'Dolzhenko, Vladimir D.'
'Bezzubov, Stanislav I.'
_publ_section_title
;
 Cyclometalated Ru(II) complexes with tunable redox and optical properties
 for dye-sensitized solar cells.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16935
_journal_page_last               16945
_journal_paper_doi               10.1039/d0dt03564e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         '1.5(C47 H37 N6 O8 Ru), 1.5(F6 P), C H2 Cl2'
_chemical_formula_sum            'C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5'
_chemical_formula_weight         1674.72
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-03-03
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_audit_update_record
;
2020-03-03 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.3941(15)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   53.215(3)
_cell_length_b                   12.7933(6)
_cell_length_c                   21.3714(9)
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.34
_cell_measurement_theta_min      2.48
_cell_volume                     14210.5(12)
_computing_cell_refinement       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT v8.38A (Bruker AXS, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       62
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            55769
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.500
_diffrn_reflns_theta_max         24.500
_diffrn_reflns_theta_min         1.639
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_type              'Incoatec I\mS microsource'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0752 before and 0.0544 after correction. The Ratio of minimum to maximum transmission is 0.8198. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_description       block
_exptl_crystal_F_000             6792
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2, heptane'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.085
_refine_diff_density_min         -1.440
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     951
_refine_ls_number_reflns         11798
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.192
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0735
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0358P)²+169.6408P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1573
_refine_ls_wR_factor_ref         0.1610
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10659
_reflns_number_total             11798
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03564e2.cif
_cod_data_source_block           ml-sm10
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        14210.4(11)
_cod_original_formula_sum        'C71.50 H57.50 Cl2 F9 N9 O12 P1.50 Ru1.50'
_cod_database_code               7705878
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.959
_shelx_estimated_absorpt_t_min   0.911
_computing.bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Ru2-Ru2_$1
 0.3 with sigma of 0.02
 Cl2-C81 \\sim Cl3-C81
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N7) = Uanis(C66)
Uanis(Cl3) = Uanis(Cl2)
Uanis(C63) = Uanis(C64) = Uanis(C65) = Uanis(C66) = Uanis(C61) = Uanis(C62) =
Uanis(N8) = Uanis(C54) = Uanis(N7)
Uanis(C53) = Uanis(C52) = Uanis(C51) = Uanis(C50) = Uanis(C49) = Uanis(C48)
Uanis(C60) = Uanis(C58) = Uanis(C57) = Uanis(C56) = Uanis(C55)
Uanis(C59) = Uanis(C60) = Uanis(C55) = Uanis(C57) = Uanis(C58)
Uanis(Cl3) = Uanis(Cl2) = Uanis(Cl1)
4. Others
 Fixed Sof: Ru2(0.5) Cl3(0.5) H81C(0.5) H81D(0.5) H81A(0.5) H81B(0.5) C61(0.5)
 C50(0.5) H50(0.5) C64(0.5) H64(0.5) N7(0.5) C56(0.5) H56(0.5) N8(0.5) C66(0.5)
 C51(0.5) H51(0.5) C63(0.5) H63(0.5) C55(0.5) C53(0.5) C48(0.5) C62(0.5)
 H62(0.5) C60(0.5) H60(0.5) C49(0.5) H49(0.5) Cl2(0.5) C52(0.5) H52(0.5)
 C65(0.5) H65(0.5) C58(0.5) H58(0.5) C57(0.5) H57(0.5) C59(0.5) H59(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C81(H81C,H81D), C81(H81A,H81B)
5.b Aromatic/amide H refined with riding coordinates:
 C73(H73), C37(H37), C23(H23), C21(H21), C42(H42), C35(H35), C26(H26),
 C18(H18), C29(H29), C5(H5), C28(H28), C70(H70), C2(H2), C20(H20), C68(H68),
 C43(H43), C75(H75), C40(H40), C17(H17), C34(H34), C76(H76), C9(H9), C16(H16),
 C3(H3), C67(H67), C15(H15), C11(H11), C12(H12), C13(H13), C4(H4), C10(H10),
 C50(H50), C64(H64), C56(H56), C51(H51), C63(H63), C62(H62), C60(H60), C49(H49),
  C52(H52), C65(H65), C58(H58), C57(H57), C59(H59)
5.c Idealised Me refined as rotating group:
 C45(H45A,H45B,H45C), C31(H31A,H31B,H31C), C80(H80A,H80B,H80C), C78(H78A,H78B,
 H78C), C47(H47A,H47B,H47C), C33(H33A,H33B,H33C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.34944(2) 0.16715(3) 0.43783(2) 0.02254(13) Uani 1 1 d . . . . .
Ru2 Ru 0.49591(6) 0.35385(6) 0.7477(3) 0.0213(6) Uani 0.5 1 d D . P A -1
P1 P 0.66884(3) 0.50262(14) 0.34155(8) 0.0414(4) Uani 1 1 d . . . . .
P2 P 0.500000 0.000000 0.500000 0.0451(6) Uani 1 2 d S . P . .
Cl3 Cl 0.2760(2) 0.7996(7) 0.0772(4) 0.1132(10) Uani 0.5 1 d D . P B 2
Cl1 Cl 0.28958(6) 0.8723(3) 0.21348(15) 0.1132(10) Uani 1 1 d . . . . .
O1 O 0.32941(8) 0.1207(3) 0.10028(18) 0.0369(10) Uani 1 1 d . . . . .
O10 O 0.44946(8) 0.2250(3) 0.43500(17) 0.0341(10) Uani 1 1 d . . . . .
F9 F 0.52059(8) -0.0419(3) 0.4615(2) 0.0563(11) Uani 1 1 d . . . . .
O2 O 0.29380(7) 0.2009(3) 0.11693(17) 0.0322(9) Uani 1 1 d . . . . .
F2 F 0.69269(8) 0.4873(4) 0.3093(2) 0.0594(11) Uani 1 1 d . . . . .
O8 O 0.39471(7) 0.2908(3) 0.75610(17) 0.0314(9) Uani 1 1 d . . . . .
O7 O 0.36672(9) 0.1687(4) 0.77252(18) 0.0453(12) Uani 1 1 d . . . . .
N5 N 0.37621(8) 0.2815(3) 0.45155(19) 0.0201(9) Uani 1 1 d . . . . .
N3 N 0.34195(8) 0.1681(3) 0.33959(19) 0.0204(9) Uani 1 1 d . . . . .
O9 O 0.47895(9) 0.3374(4) 0.41285(19) 0.0454(11) Uani 1 1 d . . . . .
N1 N 0.32644(9) 0.0349(4) 0.4298(2) 0.0268(10) Uani 1 1 d . . . . .
N2 N 0.32183(9) -0.1375(4) 0.4141(2) 0.0291(11) Uani 1 1 d . . . . .
N6 N 0.35643(8) 0.1814(3) 0.53401(19) 0.0211(9) Uani 1 1 d . . . . .
F6 F 0.66148(10) 0.6067(4) 0.3008(2) 0.0714(14) Uani 1 1 d . . . . .
O4 O 0.26126(8) 0.5412(4) 0.29000(19) 0.0429(11) Uani 1 1 d . . . . .
O6 O 0.43654(9) 0.5587(4) 0.55295(19) 0.0423(11) Uani 1 1 d . . . . .
O12 O 0.41032(8) -0.0291(4) 0.63435(19) 0.0424(11) Uani 1 1 d . . . . .
F5 F 0.64486(9) 0.5181(4) 0.3739(2) 0.0745(14) Uani 1 1 d . . . . .
N9 N 0.47138(9) 0.2414(4) 0.7377(2) 0.0279(10) Uani 1 1 d . . . . .
N4 N 0.31961(8) 0.2805(3) 0.41563(19) 0.0219(9) Uani 1 1 d . . . . .
C7 C 0.33943(10) -0.0569(4) 0.4281(2) 0.0191(11) Uani 1 1 d . . . . .
N10 N 0.49052(10) 0.3433(3) 0.6529(2) 0.0338(12) Uani 1 1 d . . . . .
O3 O 0.26132(10) 0.5916(4) 0.3902(2) 0.0502(13) Uani 1 1 d . . . . .
C24 C 0.32283(10) 0.2347(4) 0.3092(2) 0.0199(11) Uani 1 1 d . . . . .
O11 O 0.40889(10) -0.0542(5) 0.7368(2) 0.0596(15) Uani 1 1 d . . . . .
O5 O 0.44057(10) 0.5679(4) 0.4516(2) 0.0595(15) Uani 1 1 d . . . . .
C38 C 0.37434(10) 0.2536(4) 0.5606(2) 0.0215(11) Uani 1 1 d . . . . .
F7 F 0.50476(11) 0.1139(4) 0.4777(3) 0.0875(17) Uani 1 1 d . . . . .
C39 C 0.38511(10) 0.3134(4) 0.5135(2) 0.0210(11) Uani 1 1 d . . . . .
C72 C 0.47161(11) 0.2728(4) 0.6280(3) 0.0283(13) Uani 1 1 d . . . . .
F8 F 0.52188(9) 0.0141(5) 0.5622(2) 0.0894(18) Uani 1 1 d . . . . .
C73 C 0.46390(11) 0.2569(4) 0.5626(3) 0.0285(12) Uani 1 1 d . . . . .
H73 H 0.450578 0.208333 0.546409 0.034 Uiso 1 1 calc R U . . .
C37 C 0.38148(10) 0.2687(4) 0.6262(2) 0.0212(11) Uani 1 1 d . . . . .
H37 H 0.393964 0.319945 0.643491 0.025 Uiso 1 1 calc R U . . .
F1 F 0.68584(10) 0.5681(5) 0.3969(2) 0.0859(16) Uani 1 1 d . . . . .
C23 C 0.31486(10) 0.2359(4) 0.2432(2) 0.0204(11) Uani 1 1 d . . . . .
H23 H 0.301485 0.281670 0.223138 0.025 Uiso 1 1 calc R U . . .
C71 C 0.46122(11) 0.2135(4) 0.6758(3) 0.0274(12) Uani 1 1 d . . . . .
C25 C 0.31142(10) 0.3013(4) 0.3519(2) 0.0201(11) Uani 1 1 d . . . . .
C44 C 0.37656(11) 0.2190(4) 0.7373(3) 0.0279(12) Uani 1 1 d . . . . .
F4 F 0.65183(9) 0.4383(4) 0.2833(3) 0.0823(15) Uani 1 1 d . . . . .
C22 C 0.32652(10) 0.1696(4) 0.2061(2) 0.0229(11) Uani 1 1 d . . . . .
C36 C 0.37016(10) 0.2080(4) 0.6660(2) 0.0230(11) Uani 1 1 d . . . . .
C21 C 0.34659(10) 0.1072(4) 0.2367(2) 0.0249(12) Uani 1 1 d . . . . .
H21 H 0.355511 0.064172 0.212480 0.030 Uiso 1 1 calc R U . . .
F3 F 0.67575(12) 0.3980(4) 0.3799(3) 0.0929(19) Uani 1 1 d . . . . .
C42 C 0.40363(11) 0.4066(4) 0.4174(2) 0.0260(12) Uani 1 1 d . . . . .
H42 H 0.410065 0.437137 0.383429 0.031 Uiso 1 1 calc R U . . .
C35 C 0.35161(11) 0.1356(4) 0.6391(3) 0.0259(12) Uani 1 1 d . . . . .
H35 H 0.343214 0.094783 0.665602 0.031 Uiso 1 1 calc R U . . .
C74 C 0.47555(11) 0.3115(4) 0.5210(3) 0.0262(12) Uani 1 1 d . . . . .
C30 C 0.31730(10) 0.1613(4) 0.1351(2) 0.0241(12) Uani 1 1 d . . . . .
C26 C 0.29406(10) 0.3798(4) 0.3297(2) 0.0235(11) Uani 1 1 d . . . . .
H26 H 0.288511 0.392263 0.285013 0.028 Uiso 1 1 calc R U . . .
C6 C 0.36678(11) -0.0530(4) 0.4393(3) 0.0270(12) Uani 1 1 d . . . . .
C79 C 0.46870(11) 0.2933(4) 0.4505(3) 0.0296(13) Uani 1 1 d . . . . .
C18 C 0.27912(11) 0.0749(4) 0.4163(3) 0.0284(12) Uani 1 1 d . . . . .
H18 H 0.280688 0.148152 0.423442 0.034 Uiso 1 1 calc R U . . .
C69 C 0.43492(11) 0.0817(5) 0.7092(3) 0.0297(13) Uani 1 1 d . . . . .
C1 C 0.37669(11) 0.0487(5) 0.4487(2) 0.0285(13) Uani 1 1 d . . . . .
C27 C 0.28485(10) 0.4401(4) 0.3737(3) 0.0261(12) Uani 1 1 d . . . . .
C29 C 0.30970(10) 0.3372(4) 0.4575(2) 0.0240(11) Uani 1 1 d . . . . .
H29 H 0.314857 0.321697 0.501920 0.029 Uiso 1 1 calc R U . . .
C5 C 0.38301(11) -0.1384(5) 0.4426(3) 0.0322(13) Uani 1 1 d . . . . .
H5 H 0.375772 -0.206301 0.435199 0.039 Uiso 1 1 calc R U . . .
C28 C 0.29234(10) 0.4171(4) 0.4386(3) 0.0270(12) Uani 1 1 d . . . . .
H28 H 0.285629 0.455661 0.469282 0.032 Uiso 1 1 calc R U . . .
C70 C 0.44343(11) 0.1339(4) 0.6612(3) 0.0288(13) Uani 1 1 d . . . . .
H70 H 0.436987 0.114920 0.617704 0.035 Uiso 1 1 calc R U . . .
C2 C 0.40365(10) 0.0584(5) 0.4640(3) 0.0294(13) Uani 1 1 d . . . . .
H2 H 0.410846 0.126346 0.471875 0.035 Uiso 1 1 calc R U . . .
C20 C 0.35363(11) 0.1078(4) 0.3031(3) 0.0266(12) Uani 1 1 d . . . . .
H20 H 0.367299 0.063700 0.323555 0.032 Uiso 1 1 calc R U . . .
C68 C 0.44490(12) 0.1119(5) 0.7725(3) 0.0339(14) Uani 1 1 d . . . . .
H68 H 0.439318 0.078557 0.806826 0.041 Uiso 1 1 calc R U . . .
C43 C 0.38594(11) 0.3282(4) 0.4050(2) 0.0270(12) Uani 1 1 d . . . . .
H43 H 0.380193 0.305368 0.362000 0.032 Uiso 1 1 calc R U . . .
C75 C 0.49498(13) 0.3815(4) 0.5462(3) 0.0347(14) Uani 1 1 d . . . . .
H75 H 0.503581 0.418971 0.518631 0.042 Uiso 1 1 calc R U . . .
C8 C 0.32884(11) -0.2469(4) 0.4142(3) 0.0269(12) Uani 1 1 d . . . . .
C14 C 0.29735(10) -0.0991(4) 0.4065(2) 0.0214(11) Uani 1 1 d . . . . .
C46 C 0.43131(11) 0.5297(5) 0.4922(3) 0.0308(13) Uani 1 1 d . . . . .
C41 C 0.41228(10) 0.4421(4) 0.4800(2) 0.0245(12) Uani 1 1 d . . . . .
C19 C 0.30059(10) 0.0115(5) 0.4175(2) 0.0293(13) Uani 1 1 d . . . . .
C40 C 0.40261(10) 0.3943(4) 0.5283(2) 0.0232(11) Uani 1 1 d . . . . .
H40 H 0.408007 0.417127 0.571354 0.028 Uiso 1 1 calc R U . . .
C17 C 0.25532(12) 0.0252(5) 0.4039(3) 0.0384(15) Uani 1 1 d . . . . .
H17 H 0.240346 0.065718 0.403823 0.046 Uiso 1 1 calc R U . . .
C34 C 0.34547(11) 0.1234(4) 0.5739(3) 0.0267(12) Uani 1 1 d . . . . .
H34 H 0.333050 0.072232 0.556006 0.032 Uiso 1 1 calc R U . . .
C76 C 0.50178(14) 0.3967(4) 0.6116(3) 0.0381(15) Uani 1 1 d . . . . .
H76 H 0.514797 0.446224 0.628223 0.046 Uiso 1 1 calc R U . . .
C77 C 0.41669(11) -0.0074(5) 0.6963(3) 0.0357(14) Uani 1 1 d . . . . .
C9 C 0.33607(12) -0.2985(5) 0.4719(3) 0.0382(15) Uani 1 1 d . . . . .
H9 H 0.335573 -0.263263 0.510712 0.046 Uiso 1 1 calc R U . . .
C16 C 0.25257(12) -0.0820(5) 0.3917(3) 0.0415(16) Uani 1 1 d . . . . .
H16 H 0.235870 -0.112173 0.382030 0.050 Uiso 1 1 calc R U . . .
C32 C 0.26755(11) 0.5324(5) 0.3540(3) 0.0338(14) Uani 1 1 d . . . . .
C45 C 0.40199(13) 0.3096(6) 0.8245(3) 0.0440(17) Uani 1 1 d . . . . .
H45A H 0.416507 0.358448 0.833503 0.066 Uiso 1 1 calc R U . . .
H45B H 0.407027 0.243439 0.846767 0.066 Uiso 1 1 calc R U . . .
H45C H 0.387372 0.339587 0.839365 0.066 Uiso 1 1 calc R U . . .
C3 C 0.42012(13) -0.0253(5) 0.4682(3) 0.0422(16) Uani 1 1 d . . . . .
H3 H 0.438233 -0.015534 0.478654 0.051 Uiso 1 1 calc R U . . .
C67 C 0.46288(12) 0.1904(4) 0.7844(3) 0.0341(14) Uani 1 1 d . . . . .
H67 H 0.469674 0.209711 0.827605 0.041 Uiso 1 1 calc R U . . .
C15 C 0.27348(11) -0.1433(5) 0.3936(3) 0.0324(13) Uani 1 1 d . . . . .
H15 H 0.271535 -0.216350 0.385949 0.039 Uiso 1 1 calc R U . . .
C11 C 0.34398(12) -0.4518(5) 0.4151(3) 0.0410(16) Uani 1 1 d . . . . .
H11 H 0.348906 -0.523125 0.414845 0.049 Uiso 1 1 calc R U . . .
C31 C 0.28236(12) 0.1936(6) 0.0489(3) 0.0436(17) Uani 1 1 d . . . . .
H31A H 0.289801 0.247469 0.025676 0.065 Uiso 1 1 calc R U . . .
H31B H 0.263732 0.204188 0.042021 0.065 Uiso 1 1 calc R U . . .
H31C H 0.285850 0.124420 0.033011 0.065 Uiso 1 1 calc R U . . .
C12 C 0.33693(12) -0.4003(5) 0.3586(3) 0.0385(16) Uani 1 1 d . . . . .
H12 H 0.337489 -0.435339 0.319779 0.046 Uiso 1 1 calc R U . . .
C13 C 0.32889(12) -0.2965(5) 0.3569(3) 0.0362(14) Uani 1 1 d . . . . .
H13 H 0.323573 -0.260810 0.317281 0.043 Uiso 1 1 calc R U . . .
C80 C 0.44226(13) 0.1957(6) 0.3683(3) 0.0463(17) Uani 1 1 d . . . . .
H80A H 0.439129 0.258783 0.341783 0.069 Uiso 1 1 calc R U . . .
H80B H 0.426575 0.153247 0.361224 0.069 Uiso 1 1 calc R U . . .
H80C H 0.456199 0.155121 0.356675 0.069 Uiso 1 1 calc R U . . .
C4 C 0.40928(12) -0.1274(6) 0.4563(3) 0.0417(16) Uani 1 1 d . . . . .
H4 H 0.420091 -0.186857 0.457935 0.050 Uiso 1 1 calc R U . . .
C78 C 0.39269(13) -0.1154(6) 0.6147(3) 0.0512(19) Uani 1 1 d . . . . .
H78A H 0.392588 -0.133890 0.570149 0.077 Uiso 1 1 calc R U . . .
H78B H 0.375330 -0.094633 0.618314 0.077 Uiso 1 1 calc R U . . .
H78C H 0.398239 -0.175853 0.642361 0.077 Uiso 1 1 calc R U . . .
C10 C 0.34418(12) -0.4031(5) 0.4732(3) 0.0414(16) Uani 1 1 d . . . . .
H10 H 0.349617 -0.439351 0.512591 0.050 Uiso 1 1 calc R U . . .
C47 C 0.45443(14) 0.6436(6) 0.5692(3) 0.0492(18) Uani 1 1 d . . . . .
H47A H 0.452754 0.690993 0.532483 0.074 Uiso 1 1 calc R U . . .
H47B H 0.471997 0.615899 0.580135 0.074 Uiso 1 1 calc R U . . .
H47C H 0.450735 0.681739 0.605919 0.074 Uiso 1 1 calc R U . . .
C33 C 0.24433(17) 0.6264(7) 0.2656(3) 0.071(3) Uani 1 1 d . . . . .
H33A H 0.238671 0.619758 0.219048 0.106 Uiso 1 1 calc R U . . .
H33B H 0.253466 0.692830 0.275937 0.106 Uiso 1 1 calc R U . . .
H33C H 0.229307 0.624799 0.285315 0.106 Uiso 1 1 calc R U . . .
C81 C 0.2887(2) 0.7740(9) 0.1575(5) 0.087(3) Uani 1 1 d D . . . .
H81C H 0.278769 0.715207 0.170298 0.105 Uiso 0.5 1 calc R U P B 2
H81D H 0.306527 0.748902 0.161068 0.105 Uiso 0.5 1 calc R U P B 2
H81A H 0.277288 0.716376 0.165166 0.105 Uiso 0.5 1 calc R U P B 1
H81B H 0.306120 0.745615 0.159235 0.105 Uiso 0.5 1 calc R U P B 1
C54 C 0.500000 0.5799(6) 0.750000 0.0259(8) Uani 1 2 d S T P . .
C61 C 0.5433(4) 0.6358(15) 0.7679(9) 0.0259(8) Uani 0.5 1 d . . P A -1
C50 C 0.4228(2) 0.5232(10) 0.7273(6) 0.0252(11) Uani 0.5 1 d . . P A -1
H50 H 0.405024 0.506936 0.721624 0.030 Uiso 0.5 1 calc R U P A -1
C64 C 0.5876(2) 0.5238(10) 0.7816(6) 0.0259(8) Uani 0.5 1 d . . P A -1
H64 H 0.603433 0.486928 0.787218 0.031 Uiso 0.5 1 calc R U P A -1
N7 N 0.51658(17) 0.4930(7) 0.7544(4) 0.0259(8) Uani 0.5 1 d . . P A -1
C56 C 0.5025(2) 0.8209(9) 0.6965(5) 0.0260(11) Uani 0.5 1 d . . P A -1
H56 H 0.502553 0.778202 0.660157 0.031 Uiso 0.5 1 calc R U P A -1
N8 N 0.51755(17) 0.6667(7) 0.7610(4) 0.0259(8) Uani 0.5 1 d . . P A -1
C66 C 0.5421(2) 0.5250(9) 0.7641(5) 0.0259(8) Uani 0.5 1 d . . P A -1
C51 C 0.4309(2) 0.6296(10) 0.7306(5) 0.0252(11) Uani 0.5 1 d . . P A -1
H51 H 0.418872 0.685230 0.726416 0.030 Uiso 0.5 1 calc R U P A -1
C63 C 0.5881(2) 0.6325(8) 0.7844(5) 0.0259(8) Uani 0.5 1 d . . P A -1
H63 H 0.604141 0.667627 0.790553 0.031 Uiso 0.5 1 calc R U P A -1
C55 C 0.51000(19) 0.7775(8) 0.7564(5) 0.0260(11) Uani 0.5 1 d . . P A -1
C53 C 0.4748(2) 0.5684(9) 0.7451(5) 0.0252(11) Uani 0.5 1 d . . P A -1
C48 C 0.4666(2) 0.4624(9) 0.7414(5) 0.0252(11) Uani 0.5 1 d . . P A -1
C62 C 0.5659(2) 0.6903(9) 0.7785(5) 0.0259(8) Uani 0.5 1 d . . P A -1
H62 H 0.566321 0.764402 0.781608 0.031 Uiso 0.5 1 calc R U P A -1
C60 C 0.5109(2) 0.8330(9) 0.8119(5) 0.0260(11) Uani 0.5 1 d . . P A -1
H60 H 0.516170 0.803703 0.853469 0.031 Uiso 0.5 1 calc R U P A -1
C49 C 0.4405(2) 0.4444(10) 0.7324(7) 0.0252(11) Uani 0.5 1 d . . P A -1
H49 H 0.434572 0.374197 0.729578 0.030 Uiso 0.5 1 calc R U P A -1
Cl2 Cl 0.2763(2) 0.8351(7) 0.0820(4) 0.1132(10) Uani 0.5 1 d D . P B 1
C52 C 0.4572(4) 0.6490(15) 0.7400(8) 0.0252(11) Uani 0.5 1 d . . P A -1
H52 H 0.463173 0.719153 0.742967 0.030 Uiso 0.5 1 calc R U P A -1
C65 C 0.5649(3) 0.4681(11) 0.7708(7) 0.0259(8) Uani 0.5 1 d . . P A -1
H65 H 0.564830 0.393931 0.768074 0.031 Uiso 0.5 1 calc R U P A -1
C58 C 0.4963(2) 0.9848(7) 0.7419(7) 0.0260(11) Uani 0.5 1 d . . P A -1
H58 H 0.492538 1.057417 0.738357 0.031 Uiso 0.5 1 calc R U P A -1
C57 C 0.4948(3) 0.9249(13) 0.6868(8) 0.0260(11) Uani 0.5 1 d . . P A -1
H57 H 0.489008 0.953242 0.645107 0.031 Uiso 0.5 1 calc R U P A -1
C59 C 0.5029(3) 0.9398(13) 0.8005(8) 0.0260(11) Uani 0.5 1 d . . P A -1
H59 H 0.502279 0.982026 0.836655 0.031 Uiso 0.5 1 calc R U P A -1
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'
Cl Cl 0.1484 0.1585 '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'
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'
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
N5 Ru1 N3 96.90(16) . . ?
N5 Ru1 N1 171.42(17) . . ?
N5 Ru1 N4 90.46(16) . . ?
N5 Ru1 C1 93.4(2) . . ?
N3 Ru1 N1 86.47(17) . . ?
N3 Ru1 N4 78.21(16) . . ?
N3 Ru1 C1 95.53(18) . . ?
N1 Ru1 N4 97.97(17) . . ?
N1 Ru1 C1 78.4(2) . . ?
N6 Ru1 N5 79.44(16) . . ?
N6 Ru1 N3 174.44(16) . . ?
N6 Ru1 N1 97.75(17) . . ?
N6 Ru1 N4 97.54(16) . . ?
N6 Ru1 C1 88.89(19) . . ?
C1 Ru1 N4 173.04(18) . . ?
N9 Ru2 N10 83.7(3) . . ?
N9 Ru2 N7 169.5(3) . . ?
N9 Ru2 C48 90.6(4) . . ?
N10 Ru2 N7 95.0(4) . . ?
N10 Ru2 C48 92.2(4) . . ?
C48 Ru2 N7 79.0(5) . . ?
F2 P1 F6 89.5(2) . . ?
F2 P1 F5 180.0(3) . . ?
F2 P1 F4 88.2(3) . . ?
F6 P1 F4 88.4(3) . . ?
F5 P1 F6 90.5(2) . . ?
F5 P1 F4 91.7(3) . . ?
F1 P1 F2 90.5(3) . . ?
F1 P1 F6 90.0(3) . . ?
F1 P1 F5 89.6(3) . . ?
F1 P1 F4 178.0(3) . . ?
F1 P1 F3 91.7(3) . . ?
F3 P1 F2 90.1(3) . . ?
F3 P1 F6 178.3(3) . . ?
F3 P1 F5 89.9(3) . . ?
F3 P1 F4 89.9(3) . . ?
F9 P2 F9 180.00(18) . 5_656 ?
F7 P2 F9 89.0(2) . . ?
F7 P2 F9 91.0(2) . 5_656 ?
F7 P2 F9 91.0(2) 5_656 . ?
F7 P2 F9 89.0(2) 5_656 5_656 ?
F7 P2 F7 180.0 5_656 . ?
F7 P2 F8 89.3(3) . 5_656 ?
F7 P2 F8 89.3(3) 5_656 . ?
F7 P2 F8 90.7(3) . . ?
F7 P2 F8 90.7(3) 5_656 5_656 ?
F8 P2 F9 90.5(2) 5_656 5_656 ?
F8 P2 F9 89.5(2) . 5_656 ?
F8 P2 F9 89.5(2) 5_656 . ?
F8 P2 F9 90.5(2) . . ?
F8 P2 F8 180.0 5_656 . ?
C79 O10 C80 116.3(5) . . ?
C30 O2 C31 115.8(4) . . ?
C44 O8 C45 116.0(4) . . ?
C39 N5 Ru1 116.3(3) . . ?
C43 N5 Ru1 125.6(3) . . ?
C43 N5 C39 118.1(4) . . ?
C24 N3 Ru1 116.6(3) . . ?
C20 N3 Ru1 125.4(4) . . ?
C20 N3 C24 118.0(4) . . ?
C7 N1 Ru1 114.2(3) . . ?
C7 N1 C19 107.4(5) . . ?
C19 N1 Ru1 137.8(4) . . ?
C7 N2 C8 124.0(5) . . ?
C14 N2 C7 109.9(4) . . ?
C14 N2 C8 125.8(5) . . ?
C38 N6 Ru1 116.5(3) . . ?
C34 N6 Ru1 125.6(4) . . ?
C34 N6 C38 117.8(4) . . ?
C32 O4 C33 115.6(5) . . ?
C46 O6 C47 116.0(5) . . ?
C77 O12 C78 117.4(5) . . ?
Ru2 N9 Ru2 8.22(12) . 2_656 ?
C71 N9 Ru2 116.1(4) . 2_656 ?
C71 N9 Ru2 114.9(4) . . ?
C67 N9 Ru2 127.4(4) . . ?
C67 N9 Ru2 125.8(4) . 2_656 ?
C67 N9 C71 117.6(5) . . ?
C25 N4 Ru1 114.8(3) . . ?
C29 N4 Ru1 126.9(3) . . ?
C29 N4 C25 118.2(4) . . ?
N1 C7 N2 108.9(4) . . ?
N1 C7 C6 118.1(4) . . ?
N2 C7 C6 133.1(5) . . ?
Ru2 N10 Ru2 11.58(19) . 2_656 ?
C72 N10 Ru2 120.0(4) . 2_656 ?
C72 N10 Ru2 111.9(4) . . ?
C76 N10 Ru2 130.0(4) . . ?
C76 N10 Ru2 121.6(4) . 2_656 ?
C76 N10 C72 118.0(5) . . ?
N3 C24 C23 121.4(5) . . ?
N3 C24 C25 115.3(4) . . ?
C23 C24 C25 123.4(5) . . ?
N6 C38 C39 113.9(4) . . ?
N6 C38 C37 122.2(5) . . ?
C37 C38 C39 123.8(5) . . ?
N5 C39 C38 113.7(4) . . ?
N5 C39 C40 121.4(5) . . ?
C40 C39 C38 124.9(5) . . ?
N10 C72 C73 121.4(5) . . ?
N10 C72 C71 115.1(5) . . ?
C73 C72 C71 123.4(5) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 C72 120.0(6) . . ?
C74 C73 H73 120.0 . . ?
C38 C37 H37 120.5 . . ?
C36 C37 C38 118.9(5) . . ?
C36 C37 H37 120.5 . . ?
C24 C23 H23 120.1 . . ?
C24 C23 C22 119.8(5) . . ?
C22 C23 H23 120.1 . . ?
N9 C71 C72 114.1(5) . . ?
N9 C71 C70 121.6(5) . . ?
C70 C71 C72 124.3(5) . . ?
N4 C25 C24 114.9(4) . . ?
N4 C25 C26 122.2(5) . . ?
C26 C25 C24 122.9(5) . . ?
O8 C44 C36 111.4(5) . . ?
O7 C44 O8 124.7(5) . . ?
O7 C44 C36 123.9(5) . . ?
C23 C22 C30 122.1(5) . . ?
C21 C22 C23 118.4(5) . . ?
C21 C22 C30 119.5(5) . . ?
C37 C36 C44 122.7(5) . . ?
C37 C36 C35 119.1(5) . . ?
C35 C36 C44 118.2(5) . . ?
C22 C21 H21 120.2 . . ?
C22 C21 C20 119.5(5) . . ?
C20 C21 H21 120.2 . . ?
C43 C42 H42 120.1 . . ?
C43 C42 C41 119.8(5) . . ?
C41 C42 H42 120.1 . . ?
C36 C35 H35 120.3 . . ?
C34 C35 C36 119.5(5) . . ?
C34 C35 H35 120.3 . . ?
C73 C74 C79 121.8(5) . . ?
C73 C74 C75 118.5(5) . . ?
C75 C74 C79 119.7(5) . . ?
O1 C30 O2 125.4(5) . . ?
O1 C30 C22 123.8(5) . . ?
O2 C30 C22 110.7(4) . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.7(5) . . ?
C27 C26 H26 120.6 . . ?
C1 C6 C7 113.3(5) . . ?
C5 C6 C7 125.8(5) . . ?
C5 C6 C1 120.9(5) . . ?
O10 C79 C74 111.2(5) . . ?
O9 C79 O10 125.1(5) . . ?
O9 C79 C74 123.7(5) . . ?
C19 C18 H18 121.8 . . ?
C17 C18 H18 121.8 . . ?
C17 C18 C19 116.5(5) . . ?
C70 C69 C68 118.0(5) . . ?
C70 C69 C77 122.6(5) . . ?
C68 C69 C77 119.3(5) . . ?
C6 C1 Ru1 115.4(4) . . ?
C6 C1 C2 116.6(5) . . ?
C2 C1 Ru1 127.9(4) . . ?
C26 C27 C28 119.5(5) . . ?
C26 C27 C32 122.2(5) . . ?
C28 C27 C32 118.3(5) . . ?
N4 C29 H29 118.7 . . ?
N4 C29 C28 122.5(5) . . ?
C28 C29 H29 118.7 . . ?
C6 C5 H5 119.1 . . ?
C4 C5 C6 121.7(6) . . ?
C4 C5 H5 119.1 . . ?
C27 C28 H28 120.6 . . ?
C29 C28 C27 118.8(5) . . ?
C29 C28 H28 120.6 . . ?
C71 C70 H70 119.8 . . ?
C69 C70 C71 120.4(5) . . ?
C69 C70 H70 119.8 . . ?
C1 C2 H2 118.3 . . ?
C3 C2 C1 123.4(6) . . ?
C3 C2 H2 118.3 . . ?
N3 C20 C21 122.7(5) . . ?
N3 C20 H20 118.6 . . ?
C21 C20 H20 118.6 . . ?
C69 C68 H68 120.5 . . ?
C67 C68 C69 119.1(5) . . ?
C67 C68 H68 120.5 . . ?
N5 C43 C42 122.6(5) . . ?
N5 C43 H43 118.7 . . ?
C42 C43 H43 118.7 . . ?
C74 C75 H75 120.1 . . ?
C76 C75 C74 119.7(6) . . ?
C76 C75 H75 120.1 . . ?
C9 C8 N2 119.1(5) . . ?
C9 C8 C13 121.4(6) . . ?
C13 C8 N2 119.5(5) . . ?
N2 C14 C19 104.9(4) . . ?
C15 C14 N2 134.1(5) . . ?
C15 C14 C19 121.0(5) . . ?
O6 C46 C41 111.9(5) . . ?
O5 C46 O6 124.6(6) . . ?
O5 C46 C41 123.5(5) . . ?
C42 C41 C46 118.8(5) . . ?
C40 C41 C42 118.1(5) . . ?
C40 C41 C46 123.1(5) . . ?
N1 C19 C18 131.1(6) . . ?
N1 C19 C14 108.9(5) . . ?
C18 C19 C14 120.0(5) . . ?
C39 C40 C41 119.9(5) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C18 C17 H17 118.7 . . ?
C18 C17 C16 122.6(6) . . ?
C16 C17 H17 118.7 . . ?
N6 C34 C35 122.5(5) . . ?
N6 C34 H34 118.8 . . ?
C35 C34 H34 118.8 . . ?
N10 C76 C75 122.2(6) . . ?
N10 C76 H76 118.9 . . ?
C75 C76 H76 118.9 . . ?
O12 C77 C69 111.4(5) . . ?
O11 C77 O12 124.3(6) . . ?
O11 C77 C69 124.3(6) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C17 C16 H16 119.7 . . ?
C15 C16 C17 120.7(6) . . ?
C15 C16 H16 119.7 . . ?
O4 C32 C27 110.9(5) . . ?
O3 C32 O4 124.8(6) . . ?
O3 C32 C27 124.2(5) . . ?
O8 C45 H45A 109.5 . . ?
O8 C45 H45B 109.5 . . ?
O8 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C2 C3 H3 120.9 . . ?
C2 C3 C4 118.3(6) . . ?
C4 C3 H3 120.9 . . ?
N9 C67 C68 123.3(5) . . ?
N9 C67 H67 118.4 . . ?
C68 C67 H67 118.4 . . ?
C14 C15 H15 120.4 . . ?
C16 C15 C14 119.3(6) . . ?
C16 C15 H15 120.4 . . ?
C12 C11 H11 119.1 . . ?
C12 C11 C10 121.8(6) . . ?
C10 C11 H11 119.1 . . ?
O2 C31 H31A 109.5 . . ?
O2 C31 H31B 109.5 . . ?
O2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(6) . . ?
C13 C12 H12 119.6 . . ?
C8 C13 C12 118.3(6) . . ?
C8 C13 H13 120.9 . . ?
C12 C13 H13 120.9 . . ?
O10 C80 H80A 109.5 . . ?
O10 C80 H80B 109.5 . . ?
O10 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C5 C4 C3 119.0(6) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
O12 C78 H78A 109.5 . . ?
O12 C78 H78B 109.5 . . ?
O12 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C9 C10 H10 121.1 . . ?
C11 C10 C9 117.8(6) . . ?
C11 C10 H10 121.1 . . ?
O6 C47 H47A 109.5 . . ?
O6 C47 H47B 109.5 . . ?
O6 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O4 C33 H33A 109.5 . . ?
O4 C33 H33B 109.5 . . ?
O4 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Cl3 C81 H81C 107.4 . . ?
Cl3 C81 H81D 107.4 . . ?
Cl1 C81 Cl3 119.6(7) . . ?
Cl1 C81 H81C 107.4 . . ?
Cl1 C81 H81D 107.4 . . ?
Cl1 C81 H81A 110.8 . . ?
Cl1 C81 H81B 110.8 . . ?
Cl1 C81 Cl2 104.9(6) . . ?
H81C C81 H81D 107.0 . . ?
H81A C81 H81B 108.9 . . ?
Cl2 C81 H81A 110.8 . . ?
Cl2 C81 H81B 110.8 . . ?
N7 C54 N8 102.9(5) . . ?
C53 C54 N7 121.6(8) . . ?
C53 C54 N8 135.0(8) . . ?
N8 C61 C66 104.2(15) . . ?
C62 C61 N8 132.8(16) . . ?
C62 C61 C66 123.0(17) . . ?
C51 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C49 C50 C51 120.1(11) . . ?
C63 C64 H64 119.0 . . ?
C65 C64 H64 119.0 . . ?
C65 C64 C63 122.1(12) . . ?
C54 N7 Ru2 110.8(6) . . ?
C66 N7 Ru2 138.3(8) . . ?
C66 N7 C54 110.8(8) . . ?
C55 C56 H56 118.6 . . ?
C55 C56 C57 122.8(12) . . ?
C57 C56 H56 118.6 . . ?
C54 N8 C55 125.1(8) . . ?
C61 N8 C54 112.6(10) . . ?
C61 N8 C55 121.7(11) . . ?
N7 C66 C61 109.4(13) . . ?
N7 C66 C65 131.4(12) . . ?
C65 C66 C61 119.2(13) . . ?
C50 C51 H51 121.2 . . ?
C52 C51 C50 117.6(13) . . ?
C52 C51 H51 121.2 . . ?
C64 C63 H63 119.1 . . ?
C62 C63 C64 121.8(11) . . ?
C62 C63 H63 119.1 . . ?
C56 C55 N8 118.1(10) . . ?
C56 C55 C60 123.0(10) . . ?
C60 C55 N8 118.9(10) . . ?
C54 C53 C48 113.6(10) . . ?
C54 C53 C52 125.3(13) . . ?
C52 C53 C48 121.0(12) . . ?
C53 C48 Ru2 114.9(8) . . ?
C49 C48 Ru2 128.2(9) . . ?
C49 C48 C53 116.9(11) . . ?
C61 C62 C63 116.6(13) . . ?
C61 C62 H62 121.7 . . ?
C63 C62 H62 121.7 . . ?
C55 C60 H60 123.5 . . ?
C55 C60 C59 113.0(12) . . ?
C59 C60 H60 123.5 . . ?
C50 C49 C48 123.0(12) . . ?
C50 C49 H49 118.5 . . ?
C48 C49 H49 118.5 . . ?
C51 C52 H52 119.3 . . ?
C53 C52 C51 121.4(16) . . ?
C53 C52 H52 119.3 . . ?
C64 C65 C66 117.3(13) . . ?
C64 C65 H65 121.4 . . ?
C66 C65 H65 121.4 . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C59 C58 C57 120.3(9) . . ?
C56 C57 H57 122.0 . . ?
C58 C57 C56 116.0(14) . . ?
C58 C57 H57 122.0 . . ?
C60 C59 H59 117.6 . . ?
C58 C59 C60 124.8(16) . . ?
C58 C59 H59 117.6 . . ?
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 N5 2.019(4) . ?
Ru1 N3 2.051(4) . ?
Ru1 N1 2.074(5) . ?
Ru1 N6 2.017(4) . ?
Ru1 N4 2.127(4) . ?
Ru1 C1 2.075(6) . ?
Ru2 N9 1.923(5) . ?
Ru2 N10 1.989(8) . ?
Ru2 N7 2.082(9) . ?
Ru2 C48 2.070(12) . ?
P1 F2 1.582(4) . ?
P1 F6 1.594(4) . ?
P1 F5 1.589(4) . ?
P1 F1 1.568(5) . ?
P1 F4 1.601(5) . ?
P1 F3 1.572(5) . ?
P2 F9 1.598(4) 5_656 ?
P2 F9 1.598(4) . ?
P2 F7 1.570(5) 5_656 ?
P2 F7 1.571(5) . ?
P2 F8 1.579(5) . ?
P2 F8 1.579(5) 5_656 ?
Cl3 C81 1.736(13) . ?
Cl1 C81 1.729(10) . ?
O1 C30 1.203(6) . ?
O10 C79 1.333(7) . ?
O10 C80 1.444(7) . ?
O2 C30 1.327(6) . ?
O2 C31 1.454(6) . ?
O8 C44 1.331(7) . ?
O8 C45 1.449(6) . ?
O7 C44 1.193(7) . ?
N5 C39 1.369(6) . ?
N5 C43 1.355(7) . ?
N3 C24 1.378(7) . ?
N3 C20 1.341(7) . ?
O9 C79 1.205(7) . ?
N1 C7 1.367(7) . ?
N1 C19 1.377(7) . ?
N2 C7 1.382(7) . ?
N2 C8 1.448(7) . ?
N2 C14 1.369(7) . ?
N6 C38 1.362(7) . ?
N6 C34 1.353(7) . ?
O4 C32 1.341(7) . ?
O4 C33 1.439(8) . ?
O6 C46 1.321(7) . ?
O6 C47 1.437(7) . ?
O12 C77 1.323(7) . ?
O12 C78 1.451(8) . ?
N9 C71 1.365(7) . ?
N9 C67 1.348(7) . ?
N4 C25 1.364(6) . ?
N4 C29 1.346(7) . ?
C7 C6 1.424(8) . ?
N10 C72 1.371(8) . ?
N10 C76 1.353(8) . ?
O3 C32 1.181(7) . ?
C24 C23 1.384(7) . ?
C24 C25 1.471(7) . ?
O11 C77 1.198(7) . ?
O5 C46 1.192(7) . ?
C38 C39 1.476(7) . ?
C38 C37 1.383(7) . ?
C39 C40 1.382(7) . ?
C72 C73 1.386(8) . ?
C72 C71 1.472(8) . ?
C73 H73 0.9500 . ?
C73 C74 1.379(8) . ?
C37 H37 0.9500 . ?
C37 C36 1.382(7) . ?
C23 H23 0.9500 . ?
C23 C22 1.393(7) . ?
C71 C70 1.380(8) . ?
C25 C26 1.379(7) . ?
C44 C36 1.495(7) . ?
C22 C21 1.380(8) . ?
C22 C30 1.494(7) . ?
C36 C35 1.386(8) . ?
C21 H21 0.9500 . ?
C21 C20 1.388(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.363(8) . ?
C42 C41 1.395(7) . ?
C35 H35 0.9500 . ?
C35 C34 1.370(7) . ?
C74 C79 1.489(8) . ?
C74 C75 1.387(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.385(7) . ?
C6 C1 1.403(8) . ?
C6 C5 1.385(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.396(8) . ?
C18 C17 1.391(8) . ?
C69 C70 1.379(8) . ?
C69 C68 1.397(8) . ?
C69 C77 1.484(9) . ?
C1 C2 1.407(8) . ?
C27 C28 1.390(8) . ?
C27 C32 1.501(8) . ?
C29 H29 0.9500 . ?
C29 C28 1.378(8) . ?
C5 H5 0.9500 . ?
C5 C4 1.372(8) . ?
C28 H28 0.9500 . ?
C70 H70 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.375(9) . ?
C20 H20 0.9500 . ?
C68 H68 0.9500 . ?
C68 C67 1.372(8) . ?
C43 H43 0.9500 . ?
C75 H75 0.9500 . ?
C75 C76 1.380(8) . ?
C8 C9 1.378(8) . ?
C8 C13 1.379(8) . ?
C14 C19 1.439(8) . ?
C14 C15 1.363(8) . ?
C46 C41 1.495(8) . ?
C41 C40 1.389(7) . ?
C40 H40 0.9500 . ?
C17 H17 0.9500 . ?
C17 C16 1.398(9) . ?
C34 H34 0.9500 . ?
C76 H76 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.405(9) . ?
C16 H16 0.9500 . ?
C16 C15 1.355(9) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.428(10) . ?
C67 H67 0.9500 . ?
C15 H15 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.355(9) . ?
C11 C10 1.387(9) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C13 1.393(9) . ?
C13 H13 0.9500 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C4 H4 0.9500 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C10 H10 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C81 H81C 0.9900 . ?
C81 H81D 0.9900 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 Cl2 1.787(13) . ?
C54 N7 1.409(11) . ?
C54 N8 1.438(10) . ?
C54 C53 1.332(11) . ?
C61 N8 1.40(2) . ?
C61 C66 1.42(2) . ?
C61 C62 1.37(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.426(17) . ?
C50 C49 1.368(17) . ?
C64 H64 0.9500 . ?
C64 C63 1.391(16) . ?
C64 C65 1.378(17) . ?
N7 C66 1.390(15) . ?
C56 H56 0.9500 . ?
C56 C55 1.373(15) . ?
C56 C57 1.39(2) . ?
N8 C55 1.472(14) . ?
C66 C65 1.399(18) . ?
C51 H51 0.9500 . ?
C51 C52 1.39(2) . ?
C63 H63 0.9500 . ?
C63 C62 1.374(16) . ?
C55 C60 1.374(16) . ?
C53 C48 1.419(16) . ?
C53 C52 1.38(2) . ?
C48 C49 1.382(17) . ?
C62 H62 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.436(18) . ?
C49 H49 0.9500 . ?
C52 H52 0.9500 . ?
C65 H65 0.9500 . ?
C58 H58 0.9500 . ?
C58 C57 1.393(19) . ?
C58 C59 1.354(19) . ?
C57 H57 0.9500 . ?
C59 H59 0.9500 . ?
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
Ru1 N5 C39 C38 3.1(5) . . . . ?
Ru1 N5 C39 C40 -177.1(4) . . . . ?
Ru1 N5 C43 C42 178.6(4) . . . . ?
Ru1 N3 C24 C23 -175.0(4) . . . . ?
Ru1 N3 C24 C25 3.6(5) . . . . ?
Ru1 N3 C20 C21 175.7(4) . . . . ?
Ru1 N1 C7 N2 -172.1(3) . . . . ?
Ru1 N1 C7 C6 7.1(6) . . . . ?
Ru1 N1 C19 C18 -12.9(9) . . . . ?
Ru1 N1 C19 C14 169.0(4) . . . . ?
Ru1 N6 C38 C39 2.3(5) . . . . ?
Ru1 N6 C38 C37 -177.9(4) . . . . ?
Ru1 N6 C34 C35 178.4(4) . . . . ?
Ru1 N4 C25 C24 5.6(5) . . . . ?
Ru1 N4 C25 C26 -173.5(4) . . . . ?
Ru1 N4 C29 C28 172.7(4) . . . . ?
Ru1 C1 C2 C3 -177.9(5) . . . . ?
Ru2 N9 C71 C72 -7.2(6) 2_656 . . . ?
Ru2 N9 C71 C72 1.8(6) . . . . ?
Ru2 N9 C71 C70 179.8(4) . . . . ?
Ru2 N9 C71 C70 170.8(4) 2_656 . . . ?
Ru2 N9 C67 C68 178.8(5) . . . . ?
Ru2 N9 C67 C68 -171.1(5) 2_656 . . . ?
Ru2 N10 C72 C73 176.9(4) . . . . ?
Ru2 N10 C72 C73 -173.9(4) 2_656 . . . ?
Ru2 N10 C72 C71 3.7(6) 2_656 . . . ?
Ru2 N10 C72 C71 -5.5(6) . . . . ?
Ru2 N10 C76 C75 -177.7(5) . . . . ?
Ru2 N10 C76 C75 172.5(5) 2_656 . . . ?
Ru2 N7 C66 C61 -176.0(11) . . . . ?
Ru2 N7 C66 C65 3(2) . . . . ?
Ru2 C48 C49 C50 -178.2(10) . . . . ?
O8 C44 C36 C37 -2.0(7) . . . . ?
O8 C44 C36 C35 179.7(5) . . . . ?
O7 C44 C36 C37 178.7(6) . . . . ?
O7 C44 C36 C35 0.4(8) . . . . ?
N5 C39 C40 C41 -2.6(8) . . . . ?
N3 C24 C23 C22 -0.9(7) . . . . ?
N3 C24 C25 N4 -6.1(6) . . . . ?
N3 C24 C25 C26 173.0(5) . . . . ?
N1 C7 C6 C1 -2.1(7) . . . . ?
N1 C7 C6 C5 176.5(5) . . . . ?
N2 C7 C6 C1 176.8(5) . . . . ?
N2 C7 C6 C5 -4.6(10) . . . . ?
N2 C8 C9 C10 -176.8(5) . . . . ?
N2 C8 C13 C12 176.9(5) . . . . ?
N2 C14 C19 N1 1.2(6) . . . . ?
N2 C14 C19 C18 -177.2(5) . . . . ?
N2 C14 C15 C16 177.2(6) . . . . ?
N6 C38 C39 N5 -3.5(6) . . . . ?
N6 C38 C39 C40 176.7(5) . . . . ?
N6 C38 C37 C36 0.4(8) . . . . ?
O6 C46 C41 C42 176.3(5) . . . . ?
O6 C46 C41 C40 -3.3(8) . . . . ?
N9 C71 C70 C69 1.5(8) . . . . ?
N4 C25 C26 C27 0.7(8) . . . . ?
N4 C29 C28 C27 -0.2(8) . . . . ?
C7 N1 C19 C18 177.0(5) . . . . ?
C7 N1 C19 C14 -1.2(6) . . . . ?
C7 N2 C8 C9 77.7(7) . . . . ?
C7 N2 C8 C13 -100.4(7) . . . . ?
C7 N2 C14 C19 -0.8(6) . . . . ?
C7 N2 C14 C15 -178.9(6) . . . . ?
C7 C6 C1 Ru1 -4.0(6) . . . . ?
C7 C6 C1 C2 176.2(5) . . . . ?
C7 C6 C5 C4 -177.2(6) . . . . ?
N10 C72 C73 C74 0.9(8) . . . . ?
N10 C72 C71 N9 2.6(7) . . . . ?
N10 C72 C71 C70 -175.3(5) . . . . ?
C24 N3 C20 C21 -2.5(8) . . . . ?
C24 C23 C22 C21 -2.6(7) . . . . ?
C24 C23 C22 C30 175.0(5) . . . . ?
C24 C25 C26 C27 -178.4(5) . . . . ?
O5 C46 C41 C42 -3.9(9) . . . . ?
O5 C46 C41 C40 176.5(6) . . . . ?
C38 N6 C34 C35 0.6(8) . . . . ?
C38 C39 C40 C41 177.2(5) . . . . ?
C38 C37 C36 C44 -179.7(5) . . . . ?
C38 C37 C36 C35 -1.4(7) . . . . ?
C39 N5 C43 C42 -1.5(8) . . . . ?
C39 C38 C37 C36 -179.9(5) . . . . ?
C72 N10 C76 C75 -0.6(9) . . . . ?
C72 C73 C74 C79 177.1(5) . . . . ?
C72 C73 C74 C75 0.2(8) . . . . ?
C72 C71 C70 C69 179.3(5) . . . . ?
C73 C72 C71 N9 -179.9(5) . . . . ?
C73 C72 C71 C70 2.2(9) . . . . ?
C73 C74 C79 O10 4.0(7) . . . . ?
C73 C74 C79 O9 -177.9(6) . . . . ?
C73 C74 C75 C76 -1.4(8) . . . . ?
C37 C38 C39 N5 176.8(5) . . . . ?
C37 C38 C39 C40 -3.0(8) . . . . ?
C37 C36 C35 C34 2.0(8) . . . . ?
C23 C24 C25 N4 172.5(5) . . . . ?
C23 C24 C25 C26 -8.4(8) . . . . ?
C23 C22 C21 C20 3.5(8) . . . . ?
C23 C22 C30 O1 165.9(5) . . . . ?
C23 C22 C30 O2 -16.7(7) . . . . ?
C71 N9 C67 C68 0.7(9) . . . . ?
C71 C72 C73 C74 -176.4(5) . . . . ?
C25 N4 C29 C28 -2.1(8) . . . . ?
C25 C24 C23 C22 -179.4(5) . . . . ?
C25 C26 C27 C28 -3.0(8) . . . . ?
C25 C26 C27 C32 175.1(5) . . . . ?
C44 C36 C35 C34 -179.6(5) . . . . ?
C22 C21 C20 N3 -1.0(8) . . . . ?
C36 C35 C34 N6 -1.6(8) . . . . ?
C21 C22 C30 O1 -16.6(8) . . . . ?
C21 C22 C30 O2 160.9(5) . . . . ?
C42 C41 C40 C39 0.6(8) . . . . ?
C74 C75 C76 N10 1.7(9) . . . . ?
C30 C22 C21 C20 -174.2(5) . . . . ?
C26 C27 C28 C29 2.8(8) . . . . ?
C26 C27 C32 O4 4.5(8) . . . . ?
C26 C27 C32 O3 -172.3(6) . . . . ?
C6 C1 C2 C3 1.9(8) . . . . ?
C6 C5 C4 C3 0.7(9) . . . . ?
C79 C74 C75 C76 -178.5(5) . . . . ?
C18 C17 C16 C15 2.3(10) . . . . ?
C69 C68 C67 N9 0.7(9) . . . . ?
C1 C6 C5 C4 1.2(9) . . . . ?
C1 C2 C3 C4 0.0(9) . . . . ?
C29 N4 C25 C24 -179.0(4) . . . . ?
C29 N4 C25 C26 1.9(7) . . . . ?
C5 C6 C1 Ru1 177.4(4) . . . . ?
C5 C6 C1 C2 -2.4(8) . . . . ?
C28 C27 C32 O4 -177.4(5) . . . . ?
C28 C27 C32 O3 5.8(9) . . . . ?
C70 C69 C68 C67 -1.0(9) . . . . ?
C70 C69 C77 O12 0.7(8) . . . . ?
C70 C69 C77 O11 -179.8(6) . . . . ?
C2 C3 C4 C5 -1.3(9) . . . . ?
C20 N3 C24 C23 3.4(7) . . . . ?
C20 N3 C24 C25 -178.0(4) . . . . ?
C68 C69 C70 C71 -0.1(8) . . . . ?
C68 C69 C77 O12 -176.4(5) . . . . ?
C68 C69 C77 O11 3.1(10) . . . . ?
C43 N5 C39 C38 -176.8(4) . . . . ?
C43 N5 C39 C40 3.0(7) . . . . ?
C43 C42 C41 C46 -178.8(5) . . . . ?
C43 C42 C41 C40 0.8(8) . . . . ?
C75 C74 C79 O10 -179.1(5) . . . . ?
C75 C74 C79 O9 -1.0(9) . . . . ?
C8 N2 C7 N1 -174.1(5) . . . . ?
C8 N2 C7 C6 6.9(9) . . . . ?
C8 N2 C14 C19 173.3(5) . . . . ?
C8 N2 C14 C15 -4.8(10) . . . . ?
C8 C9 C10 C11 -1.5(9) . . . . ?
C14 N2 C7 N1 0.1(6) . . . . ?
C14 N2 C7 C6 -178.9(5) . . . . ?
C14 N2 C8 C9 -95.6(7) . . . . ?
C14 N2 C8 C13 86.4(7) . . . . ?
C46 C41 C40 C39 -179.8(5) . . . . ?
C41 C42 C43 N5 -0.4(8) . . . . ?
C19 N1 C7 N2 0.7(6) . . . . ?
C19 N1 C7 C6 179.8(4) . . . . ?
C19 C18 C17 C16 -1.6(9) . . . . ?
C19 C14 C15 C16 -0.6(8) . . . . ?
C17 C18 C19 N1 -178.1(6) . . . . ?
C17 C18 C19 C14 -0.1(8) . . . . ?
C17 C16 C15 C14 -1.1(9) . . . . ?
C34 N6 C38 C39 -179.7(4) . . . . ?
C34 N6 C38 C37 0.1(7) . . . . ?
C76 N10 C72 C73 -0.7(8) . . . . ?
C76 N10 C72 C71 176.8(5) . . . . ?
C77 C69 C70 C71 -177.3(5) . . . . ?
C77 C69 C68 C67 176.3(6) . . . . ?
C9 C8 C13 C12 -1.2(9) . . . . ?
C32 C27 C28 C29 -175.4(5) . . . . ?
C45 O8 C44 O7 -2.1(9) . . . . ?
C45 O8 C44 C36 178.6(5) . . . . ?
C67 N9 C71 C72 -179.8(5) . . . . ?
C67 N9 C71 C70 -1.8(8) . . . . ?
C15 C14 C19 N1 179.6(5) . . . . ?
C15 C14 C19 C18 1.2(8) . . . . ?
C11 C12 C13 C8 1.5(9) . . . . ?
C31 O2 C30 O1 -0.4(9) . . . . ?
C31 O2 C30 C22 -177.8(5) . . . . ?
C12 C11 C10 C9 1.8(9) . . . . ?
C13 C8 C9 C10 1.2(9) . . . . ?
C80 O10 C79 O9 6.0(9) . . . . ?
C80 O10 C79 C74 -176.0(5) . . . . ?
C78 O12 C77 O11 0.1(10) . . . . ?
C78 O12 C77 C69 179.6(5) . . . . ?
C10 C11 C12 C13 -1.8(10) . . . . ?
C47 O6 C46 O5 1.0(10) . . . . ?
C47 O6 C46 C41 -179.2(5) . . . . ?
C33 O4 C32 O3 -4.1(10) . . . . ?
C33 O4 C32 C27 179.1(6) . . . . ?
C54 N7 C66 C61 1.3(13) . . . . ?
C54 N7 C66 C65 -179.4(12) . . . . ?
C54 N8 C55 C56 -77.3(13) . . . . ?
C54 N8 C55 C60 103.1(11) . . . . ?
C54 C53 C48 Ru2 2.0(12) . . . . ?
C54 C53 C48 C49 -176.2(10) . . . . ?
C54 C53 C52 C51 175.4(11) . . . . ?
C61 N8 C55 C56 93.5(15) . . . . ?
C61 N8 C55 C60 -86.2(15) . . . . ?
C61 C66 C65 C64 0.7(19) . . . . ?
C50 C51 C52 C53 1(2) . . . . ?
C64 C63 C62 C61 -1.8(18) . . . . ?
N7 C54 N8 C61 3.4(11) . . . . ?
N7 C54 N8 C55 174.9(9) . . . . ?
N7 C54 C53 C48 -3.2(12) . . . . ?
N7 C54 C53 C52 -179.4(11) . . . . ?
N7 C66 C65 C64 -178.5(12) . . . . ?
C56 C55 C60 C59 0.6(16) . . . . ?
N8 C54 N7 Ru2 175.3(5) . . . . ?
N8 C54 N7 C66 -2.8(9) . . . . ?
N8 C54 C53 C48 -172.9(7) . . . . ?
N8 C54 C53 C52 10.9(17) . . . . ?
N8 C61 C66 N7 0.8(16) . . . . ?
N8 C61 C66 C65 -178.5(11) . . . . ?
N8 C61 C62 C63 178.3(16) . . . . ?
N8 C55 C60 C59 -179.8(11) . . . . ?
C66 C61 N8 C54 -2.7(15) . . . . ?
C66 C61 N8 C55 -174.5(10) . . . . ?
C66 C61 C62 C63 1(2) . . . . ?
C51 C50 C49 C48 0.7(19) . . . . ?
C63 C64 C65 C66 -1.4(19) . . . . ?
C55 C56 C57 C58 3(2) . . . . ?
C55 C60 C59 C58 -3(2) . . . . ?
C53 C54 N7 Ru2 2.8(9) . . . . ?
C53 C54 N7 C66 -175.3(8) . . . . ?
C53 C54 N8 C61 174.4(11) . . . . ?
C53 C54 N8 C55 -14.1(14) . . . . ?
C53 C48 C49 C50 -0.3(19) . . . . ?
C48 C53 C52 C51 0(2) . . . . ?
C62 C61 N8 C54 179.8(16) . . . . ?
C62 C61 N8 C55 8(3) . . . . ?
C62 C61 C66 N7 178.7(14) . . . . ?
C62 C61 C66 C65 -1(2) . . . . ?
C49 C50 C51 C52 -1.0(18) . . . . ?
C52 C53 C48 Ru2 178.4(11) . . . . ?
C52 C53 C48 C49 0.1(18) . . . . ?
C65 C64 C63 C62 2.0(19) . . . . ?
C57 C56 C55 N8 179.6(12) . . . . ?
C57 C56 C55 C60 -0.7(18) . . . . ?
C57 C58 C59 C60 5(3) . . . . ?
C59 C58 C57 C56 -5(3) . . . . ?
