#------------------------------------------------------------------------------
#$Date: 2021-12-15 00:53:45 +0100 (Wed 15 de Dec de 2021) $
#$Revision: 271418 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/90/7709079.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_7709079
loop_
_publ_author_name
'Miller-Clark, Lyndsy A.'
'Christ, Peter E.'
'Ren, Tong'
_publ_section_title
;
 Diruthenium aryl compounds -- tuning of electrochemical responses and
 solubility
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03957A
_journal_year                    2022
_chemical_formula_moiety         'C59 H56 F3 N8 O8 Ru2'
_chemical_formula_sum            'C59 H56 F3 N8 O8 Ru2'
_chemical_formula_weight         1264.26
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-11-19 deposited with the CCDC.	2021-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.8246(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.7603(5)
_cell_length_b                   21.0504(8)
_cell_length_c                   19.8667(7)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.4851
_cell_measurement_theta_min      2.1901
_cell_volume                     5333.7(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'Apex3 v2019.1-0 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_structure_refinement
;  
SHELXL-2018/3 (Sheldrick, 2015a, 2018), 
SHELXLE Rev1117 (Hübschle et al., 2011)
;
_computing_structure_solution    'SHELXM (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 7.4074
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
;
Bruker AXS D8 Quest diffractometer with PhotonII charge-integrating pixel 
array detector (CPAD)
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            141977
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.538
_diffrn_reflns_theta_min         1.925
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.7050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D. (2015). J. Appl. Cryst. 48, 3-10.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_description       block
_exptl_crystal_F_000             2580
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.098
_refine_diff_density_max         1.006
_refine_diff_density_min         -0.862
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     786
_refine_ls_number_reflns         16322
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0224P)²+7.3743P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0823
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13106
_reflns_number_total             16322
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03957a2.cif
_cod_data_source_block           LAM_1_42_0m
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7709079
_shelx_shelxl_version_number     2018/1
_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_min   0.927
_shelx_estimated_absorpt_t_max   0.940
loop_
_space_group_symop_operation_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_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 0.60386(2) 0.31963(2) 0.09647(2) 0.01249(4) Uani 1 1 d . . . . .
Ru2 Ru 0.73109(2) 0.24511(2) 0.06909(2) 0.01197(4) Uani 1 1 d . . . . .
F1 F 0.1401(11) 0.5038(5) 0.1382(7) 0.045(4) Uani 0.503(3) 1 d D . P A 1
F2 F 0.2514(12) 0.5728(6) 0.1778(6) 0.040(3) Uani 0.503(3) 1 d D . P A 1
F3 F 0.1985(10) 0.4977(6) 0.2414(6) 0.036(3) Uani 0.503(3) 1 d D . P A 1
F1B F 0.151(2) 0.5214(10) 0.1298(12) 0.048(4) Uani 0.310(3) 1 d D U P A 2
F2B F 0.259(3) 0.5720(14) 0.1964(13) 0.051(5) Uani 0.310(3) 1 d D U P A 2
F3B F 0.176(2) 0.4895(14) 0.2319(12) 0.049(5) Uani 0.310(3) 1 d D U P A 2
F1C F 0.132(3) 0.4890(15) 0.1531(15) 0.048(5) Uani 0.187(3) 1 d D U P A 3
F2C F 0.239(3) 0.5686(14) 0.1537(12) 0.052(6) Uani 0.187(3) 1 d D U P A 3
F3C F 0.221(3) 0.5114(17) 0.2429(15) 0.054(6) Uani 0.187(3) 1 d D U P A 3
O1 O 0.69423(16) 0.01677(9) 0.27323(10) 0.0312(4) Uani 1 1 d . . . . .
O2 O 1.02064(16) 0.05743(9) 0.18819(11) 0.0331(5) Uani 1 1 d . . . . .
O3 O 0.49659(16) 0.02946(9) -0.11325(10) 0.0306(4) Uani 1 1 d . . . . .
O4 O 0.81736(16) -0.00895(10) -0.00407(10) 0.0325(5) Uani 1 1 d . . . . .
O5 O 1.02323(17) 0.35608(10) -0.11133(13) 0.0421(6) Uani 1 1 d . . . . .
O6 O 0.94860(17) 0.13825(10) -0.15660(13) 0.0416(6) Uani 1 1 d . . . . .
O7 O 1.13852(15) 0.30915(10) 0.24109(10) 0.0341(5) Uani 1 1 d . . . . .
O8 O 1.15025(17) 0.20498(11) 0.02720(12) 0.0412(5) Uani 1 1 d . . . . .
N1 N 0.67322(15) 0.31835(9) 0.19515(10) 0.0155(4) Uani 1 1 d . . . . .
N2 N 0.75323(15) 0.22285(9) 0.16815(9) 0.0148(4) Uani 1 1 d . . . . .
N3 N 0.51830(15) 0.24053(9) 0.13060(10) 0.0154(4) Uani 1 1 d . . . . .
N4 N 0.61755(15) 0.17696(9) 0.06153(10) 0.0153(4) Uani 1 1 d . . . . .
N5 N 0.55155(15) 0.31676(9) -0.00670(10) 0.0168(4) Uani 1 1 d . . . . .
N6 N 0.70883(16) 0.26804(9) -0.02914(10) 0.0165(4) Uani 1 1 d . . . . .
N7 N 0.70867(15) 0.38945(9) 0.06497(10) 0.0158(4) Uani 1 1 d . . . . .
N8 N 0.84035(15) 0.31526(9) 0.08203(10) 0.0153(4) Uani 1 1 d . . . . .
C1 C 0.47978(18) 0.38572(11) 0.12179(11) 0.0163(4) Uani 1 1 d . . . . .
C2 C 0.4971(2) 0.44926(11) 0.14041(12) 0.0201(5) Uani 1 1 d . . . . .
H2 H 0.567016 0.464879 0.141575 0.024 Uiso 1 1 calc R U . . .
C3 C 0.4167(2) 0.49051(12) 0.15726(13) 0.0241(5) Uani 1 1 d . . . . .
H3 H 0.432424 0.533152 0.169566 0.029 Uiso 1 1 calc R U . . .
C4 C 0.3144(2) 0.46941(12) 0.15606(13) 0.0243(5) Uani 1 1 d . . . . .
C5 C 0.2270(3) 0.51146(15) 0.17731(17) 0.0366(7) Uani 1 1 d . . . . .
C6 C 0.2922(2) 0.40734(12) 0.13704(13) 0.0241(5) Uani 1 1 d . . . . .
H6 H 0.221801 0.392541 0.135556 0.029 Uiso 1 1 calc R U . . .
C7 C 0.37307(19) 0.36700(12) 0.12020(13) 0.0210(5) Uani 1 1 d . . . . .
H7 H 0.356171 0.324767 0.106958 0.025 Uiso 1 1 calc R U . . .
C8 C 0.6552(2) 0.36383(12) 0.24129(13) 0.0213(5) Uani 1 1 d . . . . .
H8 H 0.614484 0.399540 0.227351 0.026 Uiso 1 1 calc R U . . .
C9 C 0.6918(2) 0.36194(13) 0.30700(13) 0.0253(5) Uani 1 1 d . . . . .
H9 H 0.677039 0.395359 0.337395 0.030 Uiso 1 1 calc R U . . .
C10 C 0.7512(2) 0.30965(12) 0.32777(13) 0.0236(5) Uani 1 1 d . . . . .
H10 H 0.777381 0.306728 0.372956 0.028 Uiso 1 1 calc R U . . .
C11 C 0.77139(19) 0.26275(12) 0.28293(12) 0.0197(5) Uani 1 1 d . . . . .
H11 H 0.811929 0.226970 0.296893 0.024 Uiso 1 1 calc R U . . .
C12 C 0.73226(17) 0.26694(10) 0.21533(11) 0.0143(4) Uani 1 1 d . . . . .
C13 C 0.78885(18) 0.16200(11) 0.19016(11) 0.0159(4) Uani 1 1 d . . . . .
C14 C 0.71901(19) 0.12145(11) 0.22169(12) 0.0189(5) Uani 1 1 d . . . . .
H14 H 0.649160 0.134572 0.229365 0.023 Uiso 1 1 calc R U . . .
C15 C 0.7538(2) 0.06127(11) 0.24172(12) 0.0220(5) Uani 1 1 d . . . . .
C16 C 0.5846(2) 0.02732(14) 0.27594(15) 0.0329(6) Uani 1 1 d . . . . .
H16A H 0.554955 0.032192 0.230126 0.049 Uiso 1 1 calc R U . . .
H16B H 0.571645 0.066008 0.301813 0.049 Uiso 1 1 calc R U . . .
H16C H 0.551584 -0.008959 0.297754 0.049 Uiso 1 1 calc R U . . .
C17 C 0.8553(2) 0.04213(12) 0.22986(13) 0.0246(5) Uani 1 1 d . . . . .
H17 H 0.878387 0.001141 0.243768 0.029 Uiso 1 1 calc R U . . .
C18 C 0.9232(2) 0.08247(11) 0.19784(13) 0.0213(5) Uani 1 1 d . . . . .
C19 C 1.0961(2) 0.09609(15) 0.15697(19) 0.0414(8) Uani 1 1 d . . . . .
H19A H 1.161508 0.072199 0.152930 0.062 Uiso 1 1 calc R U . . .
H19B H 1.109277 0.134151 0.184350 0.062 Uiso 1 1 calc R U . . .
H19C H 1.069613 0.108614 0.112066 0.062 Uiso 1 1 calc R U . . .
C20 C 0.89138(19) 0.14314(11) 0.17751(12) 0.0179(4) Uani 1 1 d . . . . .
H20 H 0.938191 0.170864 0.155652 0.021 Uiso 1 1 calc R U . . .
C21 C 0.45536(18) 0.24395(11) 0.18445(12) 0.0185(4) Uani 1 1 d . . . . .
H21 H 0.448075 0.283940 0.205955 0.022 Uiso 1 1 calc R U . . .
C22 C 0.40182(19) 0.19326(12) 0.20956(12) 0.0209(5) Uani 1 1 d . . . . .
H22 H 0.358717 0.198028 0.247348 0.025 Uiso 1 1 calc R U . . .
C23 C 0.41237(19) 0.13420(12) 0.17800(13) 0.0212(5) Uani 1 1 d . . . . .
H23 H 0.373934 0.098458 0.192823 0.025 Uiso 1 1 calc R U . . .
C24 C 0.47859(19) 0.12864(11) 0.12564(13) 0.0204(5) Uani 1 1 d . . . . .
H24 H 0.485717 0.088801 0.103784 0.024 Uiso 1 1 calc R U . . .
C25 C 0.53673(18) 0.18155(11) 0.10357(11) 0.0157(4) Uani 1 1 d . . . . .
C26 C 0.62923(19) 0.12111(11) 0.02233(12) 0.0175(4) Uani 1 1 d . . . . .
C27 C 0.55243(19) 0.10440(11) -0.02571(12) 0.0193(5) Uani 1 1 d . . . . .
H27 H 0.490690 0.129282 -0.031515 0.023 Uiso 1 1 calc R U . . .
C28 C 0.5674(2) 0.05069(12) -0.06514(12) 0.0217(5) Uani 1 1 d . . . . .
C29 C 0.3983(2) 0.06035(15) -0.11837(15) 0.0340(6) Uani 1 1 d . . . . .
H29A H 0.408288 0.104533 -0.132327 0.051 Uiso 1 1 calc R U . . .
H29B H 0.365193 0.059463 -0.074532 0.051 Uiso 1 1 calc R U . . .
H29C H 0.353153 0.038476 -0.151815 0.051 Uiso 1 1 calc R U . . .
C30 C 0.6578(2) 0.01447(12) -0.05778(13) 0.0240(5) Uani 1 1 d . . . . .
H30 H 0.668083 -0.021506 -0.085661 0.029 Uiso 1 1 calc R U . . .
C31 C 0.7329(2) 0.03150(12) -0.00916(13) 0.0228(5) Uani 1 1 d . . . . .
C32 C 0.8896(2) 0.00007(16) 0.05129(16) 0.0383(7) Uani 1 1 d . . . . .
H32A H 0.940520 -0.034804 0.052647 0.057 Uiso 1 1 calc R U . . .
H32B H 0.851526 0.000729 0.093339 0.057 Uiso 1 1 calc R U . . .
H32C H 0.926527 0.040502 0.045939 0.057 Uiso 1 1 calc R U . . .
C33 C 0.72036(19) 0.08496(11) 0.03116(12) 0.0201(5) Uani 1 1 d . . . . .
H33 H 0.772700 0.096554 0.063959 0.024 Uiso 1 1 calc R U . . .
C34 C 0.4602(2) 0.34299(13) -0.03064(13) 0.0243(5) Uani 1 1 d . . . . .
H34 H 0.410511 0.356205 0.001130 0.029 Uiso 1 1 calc R U . . .
C35 C 0.4352(2) 0.35156(15) -0.09781(14) 0.0311(6) Uani 1 1 d . . . . .
H35 H 0.370275 0.370135 -0.111832 0.037 Uiso 1 1 calc R U . . .
C36 C 0.5072(2) 0.33241(14) -0.14476(13) 0.0280(6) Uani 1 1 d . . . . .
H36 H 0.492352 0.338045 -0.191537 0.034 Uiso 1 1 calc R U . . .
C37 C 0.5998(2) 0.30537(13) -0.12305(12) 0.0231(5) Uani 1 1 d . . . . .
H37 H 0.649627 0.292399 -0.154778 0.028 Uiso 1 1 calc R U . . .
C38 C 0.62131(19) 0.29667(11) -0.05291(12) 0.0172(4) Uani 1 1 d . . . . .
C39 C 0.79721(18) 0.26099(11) -0.07112(11) 0.0173(4) Uani 1 1 d . . . . .
C40 C 0.8618(2) 0.31300(12) -0.08082(12) 0.0225(5) Uani 1 1 d . . . . .
H40 H 0.840623 0.354316 -0.067630 0.027 Uiso 1 1 calc R U . . .
C41 C 0.9579(2) 0.30362(13) -0.11014(13) 0.0258(5) Uani 1 1 d . . . . .
C42 C 1.1309(3) 0.34406(16) -0.10353(19) 0.0429(8) Uani 1 1 d . . . . .
H42A H 1.156520 0.324969 -0.144886 0.064 Uiso 1 1 calc R U . . .
H42B H 1.143406 0.314782 -0.065772 0.064 Uiso 1 1 calc R U . . .
H42C H 1.168139 0.384028 -0.094477 0.064 Uiso 1 1 calc R U . . .
C43 C 0.9854(2) 0.24469(14) -0.13498(14) 0.0284(6) Uani 1 1 d . . . . .
H43 H 1.050571 0.238941 -0.155961 0.034 Uiso 1 1 calc R U . . .
C44 C 0.9164(2) 0.19392(13) -0.12890(14) 0.0256(5) Uani 1 1 d . . . . .
C45 C 0.8741(3) 0.08914(15) -0.1651(2) 0.0447(8) Uani 1 1 d . . . . .
H45A H 0.812793 0.105185 -0.190795 0.067 Uiso 1 1 calc R U . . .
H45B H 0.852393 0.074384 -0.120866 0.067 Uiso 1 1 calc R U . . .
H45C H 0.905208 0.053763 -0.189513 0.067 Uiso 1 1 calc R U . . .
C46 C 0.8228(2) 0.20081(12) -0.09519(12) 0.0208(5) Uani 1 1 d . . . . .
H46 H 0.777700 0.165554 -0.088794 0.025 Uiso 1 1 calc R U . . .
C47 C 0.6788(2) 0.44665(11) 0.03835(12) 0.0211(5) Uani 1 1 d . . . . .
H47 H 0.606267 0.453790 0.028982 0.025 Uiso 1 1 calc R U . . .
C48 C 0.7481(2) 0.49441(12) 0.02442(14) 0.0274(6) Uani 1 1 d . . . . .
H48 H 0.723998 0.533429 0.005527 0.033 Uiso 1 1 calc R U . . .
C49 C 0.8550(2) 0.48440(12) 0.03864(15) 0.0274(6) Uani 1 1 d . . . . .
H49 H 0.904052 0.517698 0.032517 0.033 Uiso 1 1 calc R U . . .
C50 C 0.8883(2) 0.42609(12) 0.06149(13) 0.0223(5) Uani 1 1 d . . . . .
H50 H 0.960741 0.418671 0.070750 0.027 Uiso 1 1 calc R U . . .
C51 C 0.81423(18) 0.37677(11) 0.07131(11) 0.0161(4) Uani 1 1 d . . . . .
C52 C 0.94519(18) 0.29859(11) 0.09995(12) 0.0168(4) Uani 1 1 d . . . . .
C53 C 0.98874(19) 0.31697(12) 0.16262(12) 0.0200(5) Uani 1 1 d . . . . .
H53 H 0.950357 0.342978 0.192165 0.024 Uiso 1 1 calc R U . . .
C54 C 1.08938(19) 0.29633(12) 0.18065(13) 0.0233(5) Uani 1 1 d . . . . .
C55 C 1.0817(3) 0.34507(17) 0.28813(16) 0.0400(7) Uani 1 1 d . . . . .
H55A H 1.065693 0.387083 0.269227 0.060 Uiso 1 1 calc R U . . .
H55B H 1.124050 0.349899 0.329859 0.060 Uiso 1 1 calc R U . . .
H55C H 1.016269 0.323030 0.297810 0.060 Uiso 1 1 calc R U . . .
C56 C 1.14712(19) 0.25925(13) 0.13658(15) 0.0260(5) Uani 1 1 d . . . . .
H56 H 1.216467 0.246310 0.148799 0.031 Uiso 1 1 calc R U . . .
C57 C 1.1024(2) 0.24168(13) 0.07529(14) 0.0256(5) Uani 1 1 d . . . . .
C58 C 1.2533(3) 0.18493(19) 0.04044(19) 0.0472(9) Uani 1 1 d . . . . .
H58A H 1.275563 0.157256 0.003896 0.071 Uiso 1 1 calc R U . . .
H58B H 1.256938 0.161454 0.083052 0.071 Uiso 1 1 calc R U . . .
H58C H 1.299603 0.222014 0.043663 0.071 Uiso 1 1 calc R U . . .
C59 C 1.00059(19) 0.26038(12) 0.05681(13) 0.0218(5) Uani 1 1 d . . . . .
H59 H 0.969574 0.247055 0.015058 0.026 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N7 Ru1 N3 171.39(7) . . ?
N7 Ru1 N1 91.92(7) . . ?
N3 Ru1 N1 84.17(7) . . ?
N7 Ru1 N5 85.19(7) . . ?
N3 Ru1 N5 97.85(7) . . ?
N1 Ru1 N5 173.19(7) . . ?
N7 Ru1 C1 95.53(8) . . ?
N3 Ru1 C1 92.43(8) . . ?
N1 Ru1 C1 94.56(8) . . ?
N5 Ru1 C1 91.85(8) . . ?
N7 Ru1 Ru2 86.94(5) . . ?
N3 Ru1 Ru2 85.16(5) . . ?
N1 Ru1 Ru2 86.22(5) . . ?
N5 Ru1 Ru2 87.47(5) . . ?
C1 Ru1 Ru2 177.38(6) . . ?
N6 Ru2 N2 179.50(8) . . ?
N6 Ru2 N4 91.10(8) . . ?
N2 Ru2 N4 89.18(8) . . ?
N6 Ru2 N8 91.33(8) . . ?
N2 Ru2 N8 88.38(8) . . ?
N4 Ru2 N8 176.40(8) . . ?
N6 Ru2 Ru1 89.26(6) . . ?
N2 Ru2 Ru1 90.32(5) . . ?
N4 Ru2 Ru1 89.55(5) . . ?
N8 Ru2 Ru1 87.82(5) . . ?
C15 O1 C16 118.2(2) . . ?
C18 O2 C19 118.2(2) . . ?
C28 O3 C29 117.7(2) . . ?
C31 O4 C32 117.4(2) . . ?
C41 O5 C42 116.3(2) . . ?
C44 O6 C45 117.8(2) . . ?
C54 O7 C55 117.1(2) . . ?
C57 O8 C58 118.1(3) . . ?
C8 N1 C12 117.7(2) . . ?
C8 N1 Ru1 122.84(16) . . ?
C12 N1 Ru1 119.24(14) . . ?
C12 N2 C13 118.24(19) . . ?
C12 N2 Ru2 119.22(15) . . ?
C13 N2 Ru2 122.54(14) . . ?
C21 N3 C25 117.9(2) . . ?
C21 N3 Ru1 122.30(15) . . ?
C25 N3 Ru1 119.27(15) . . ?
C25 N4 C26 119.57(19) . . ?
C25 N4 Ru2 117.28(14) . . ?
C26 N4 Ru2 122.37(15) . . ?
C34 N5 C38 117.4(2) . . ?
C34 N5 Ru1 124.16(16) . . ?
C38 N5 Ru1 117.59(15) . . ?
C38 N6 C39 120.25(19) . . ?
C38 N6 Ru2 122.47(16) . . ?
C39 N6 Ru2 116.66(14) . . ?
C47 N7 C51 117.9(2) . . ?
C47 N7 Ru1 124.15(16) . . ?
C51 N7 Ru1 117.97(15) . . ?
C51 N8 C52 120.17(19) . . ?
C51 N8 Ru2 120.59(15) . . ?
C52 N8 Ru2 119.20(14) . . ?
C2 C1 C7 114.5(2) . . ?
C2 C1 Ru1 124.04(17) . . ?
C7 C1 Ru1 121.48(17) . . ?
C3 C2 C1 123.1(2) . . ?
C3 C2 H2 118.4 . . ?
C1 C2 H2 118.4 . . ?
C4 C3 C2 120.0(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C6 119.6(2) . . ?
C3 C4 C5 121.3(3) . . ?
C6 C4 C5 119.1(3) . . ?
F2C C5 F3C 111.8(18) . . ?
F2 C5 F1 108.1(7) . . ?
F1B C5 F3B 104.9(15) . . ?
F2 C5 F3 105.6(8) . . ?
F1 C5 F3 106.0(8) . . ?
F2C C5 F1C 107.9(18) . . ?
F3C C5 F1C 105.5(18) . . ?
F1B C5 F2B 104.5(15) . . ?
F3B C5 F2B 103.8(16) . . ?
F2C C5 C4 110.1(17) . . ?
F3C C5 C4 110.5(19) . . ?
F2 C5 C4 113.6(7) . . ?
F1 C5 C4 112.0(7) . . ?
F1B C5 C4 114.7(14) . . ?
F3B C5 C4 113.9(15) . . ?
F3 C5 C4 111.1(6) . . ?
F1C C5 C4 110.9(18) . . ?
F2B C5 C4 113.7(16) . . ?
C7 C6 C4 119.7(2) . . ?
C7 C6 H6 120.1 . . ?
C4 C6 H6 120.1 . . ?
C6 C7 C1 123.2(2) . . ?
C6 C7 H7 118.4 . . ?
C1 C7 H7 118.4 . . ?
N1 C8 C9 124.4(2) . . ?
N1 C8 H8 117.8 . . ?
C9 C8 H8 117.8 . . ?
C8 C9 C10 118.1(2) . . ?
C8 C9 H9 121.0 . . ?
C10 C9 H9 121.0 . . ?
C11 C10 C9 119.5(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 120.4(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
N2 C12 N1 117.3(2) . . ?
N2 C12 C11 122.8(2) . . ?
N1 C12 C11 119.9(2) . . ?
C14 C13 C20 121.4(2) . . ?
C14 C13 N2 119.1(2) . . ?
C20 C13 N2 119.5(2) . . ?
C15 C14 C13 118.7(2) . . ?
C15 C14 H14 120.6 . . ?
C13 C14 H14 120.6 . . ?
O1 C15 C17 114.5(2) . . ?
O1 C15 C14 125.1(2) . . ?
C17 C15 C14 120.4(2) . . ?
O1 C16 H16A 109.5 . . ?
O1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C15 120.2(2) . . ?
C18 C17 H17 119.9 . . ?
C15 C17 H17 119.9 . . ?
O2 C18 C17 114.4(2) . . ?
O2 C18 C20 124.6(2) . . ?
C17 C18 C20 121.0(2) . . ?
O2 C19 H19A 109.5 . . ?
O2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 C13 118.2(2) . . ?
C18 C20 H20 120.9 . . ?
C13 C20 H20 120.9 . . ?
N3 C21 C22 124.0(2) . . ?
N3 C21 H21 118.0 . . ?
C22 C21 H21 118.0 . . ?
C21 C22 C23 118.2(2) . . ?
C21 C22 H22 120.9 . . ?
C23 C22 H22 120.9 . . ?
C24 C23 C22 119.2(2) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C25 120.8(2) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
N4 C25 N3 116.7(2) . . ?
N4 C25 C24 123.6(2) . . ?
N3 C25 C24 119.4(2) . . ?
C27 C26 C33 120.9(2) . . ?
C27 C26 N4 120.1(2) . . ?
C33 C26 N4 118.9(2) . . ?
C26 C27 C28 119.0(2) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
O3 C28 C30 115.0(2) . . ?
O3 C28 C27 124.0(2) . . ?
C30 C28 C27 121.0(2) . . ?
O3 C29 H29A 109.5 . . ?
O3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C28 119.1(2) . . ?
C31 C30 H30 120.5 . . ?
C28 C30 H30 120.5 . . ?
O4 C31 C30 114.5(2) . . ?
O4 C31 C33 124.2(2) . . ?
C30 C31 C33 121.3(2) . . ?
O4 C32 H32A 109.5 . . ?
O4 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O4 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 C26 118.6(2) . . ?
C31 C33 H33 120.7 . . ?
C26 C33 H33 120.7 . . ?
N5 C34 C35 124.2(2) . . ?
N5 C34 H34 117.9 . . ?
C35 C34 H34 117.9 . . ?
C34 C35 C36 118.4(2) . . ?
C34 C35 H35 120.8 . . ?
C36 C35 H35 120.8 . . ?
C37 C36 C35 119.4(2) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 C38 120.0(2) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
N6 C38 N5 117.1(2) . . ?
N6 C38 C37 122.3(2) . . ?
N5 C38 C37 120.6(2) . . ?
C40 C39 C46 121.5(2) . . ?
C40 C39 N6 118.8(2) . . ?
C46 C39 N6 119.4(2) . . ?
C39 C40 C41 118.9(2) . . ?
C39 C40 H40 120.6 . . ?
C41 C40 H40 120.6 . . ?
O5 C41 C43 123.4(2) . . ?
O5 C41 C40 115.7(2) . . ?
C43 C41 C40 120.9(2) . . ?
O5 C42 H42A 109.5 . . ?
O5 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
O5 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 C44 119.3(2) . . ?
C41 C43 H43 120.4 . . ?
C44 C43 H43 120.4 . . ?
O6 C44 C43 115.2(2) . . ?
O6 C44 C46 123.8(2) . . ?
C43 C44 C46 121.0(2) . . ?
O6 C45 H45A 109.5 . . ?
O6 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O6 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 C39 118.1(2) . . ?
C44 C46 H46 120.9 . . ?
C39 C46 H46 120.9 . . ?
N7 C47 C48 123.4(2) . . ?
N7 C47 H47 118.3 . . ?
C48 C47 H47 118.3 . . ?
C47 C48 C49 118.6(2) . . ?
C47 C48 H48 120.7 . . ?
C49 C48 H48 120.7 . . ?
C50 C49 C48 119.4(2) . . ?
C50 C49 H49 120.3 . . ?
C48 C49 H49 120.3 . . ?
C49 C50 C51 119.9(2) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
N8 C51 N7 115.9(2) . . ?
N8 C51 C50 124.0(2) . . ?
N7 C51 C50 119.9(2) . . ?
C59 C52 C53 120.9(2) . . ?
C59 C52 N8 119.0(2) . . ?
C53 C52 N8 119.9(2) . . ?
C54 C53 C52 118.6(2) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
O7 C54 C53 124.0(2) . . ?
O7 C54 C56 115.1(2) . . ?
C53 C54 C56 120.8(2) . . ?
O7 C55 H55A 109.5 . . ?
O7 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O7 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C57 C56 C54 119.4(2) . . ?
C57 C56 H56 120.3 . . ?
C54 C56 H56 120.3 . . ?
C56 C57 O8 125.4(2) . . ?
C56 C57 C59 120.8(2) . . ?
O8 C57 C59 113.8(2) . . ?
O8 C58 H58A 109.5 . . ?
O8 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O8 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C52 C59 C57 119.3(2) . . ?
C52 C59 H59 120.3 . . ?
C57 C59 H59 120.3 . . ?
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 N7 2.0961(19) . ?
Ru1 N3 2.1146(19) . ?
Ru1 N1 2.1252(19) . ?
Ru1 N5 2.1362(19) . ?
Ru1 C1 2.179(2) . ?
Ru1 Ru2 2.3341(3) . ?
Ru2 N6 2.0215(19) . ?
Ru2 N2 2.0339(19) . ?
Ru2 N4 2.0410(19) . ?
Ru2 N8 2.0414(19) . ?
F1 C5 1.343(14) . ?
F2 C5 1.329(14) . ?
F3 C5 1.367(12) . ?
F1B C5 1.34(2) . ?
F2B C5 1.39(3) . ?
F3B C5 1.37(3) . ?
F1C C5 1.38(3) . ?
F2C C5 1.30(3) . ?
F3C C5 1.31(3) . ?
O1 C15 1.370(3) . ?
O1 C16 1.419(4) . ?
O2 C18 1.370(3) . ?
O2 C19 1.418(4) . ?
O3 C28 1.369(3) . ?
O3 C29 1.414(3) . ?
O4 C31 1.374(3) . ?
O4 C32 1.425(3) . ?
O5 C41 1.384(3) . ?
O5 C42 1.401(4) . ?
O6 C44 1.364(3) . ?
O6 C45 1.411(4) . ?
O7 C54 1.364(3) . ?
O7 C55 1.419(4) . ?
O8 C57 1.385(3) . ?
O8 C58 1.398(4) . ?
N1 C8 1.350(3) . ?
N1 C12 1.371(3) . ?
N2 C12 1.352(3) . ?
N2 C13 1.423(3) . ?
N3 C21 1.360(3) . ?
N3 C25 1.376(3) . ?
N4 C25 1.351(3) . ?
N4 C26 1.421(3) . ?
N5 C34 1.362(3) . ?
N5 C38 1.366(3) . ?
N6 C38 1.342(3) . ?
N6 C39 1.432(3) . ?
N7 C47 1.364(3) . ?
N7 C51 1.375(3) . ?
N8 C51 1.352(3) . ?
N8 C52 1.418(3) . ?
C1 C2 1.403(3) . ?
C1 C7 1.417(3) . ?
C2 C3 1.393(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.379(4) . ?
C3 H3 0.9500 . ?
C4 C6 1.387(4) . ?
C4 C5 1.496(4) . ?
C6 C7 1.386(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.373(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.360(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.421(3) . ?
C11 H11 0.9500 . ?
C13 C14 1.397(3) . ?
C13 C20 1.398(3) . ?
C14 C15 1.396(3) . ?
C14 H14 0.9500 . ?
C15 C17 1.383(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.383(4) . ?
C17 H17 0.9500 . ?
C18 C20 1.396(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20 0.9500 . ?
C21 C22 1.370(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.401(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.366(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.416(3) . ?
C24 H24 0.9500 . ?
C26 C27 1.391(3) . ?
C26 C33 1.396(3) . ?
C27 C28 1.392(3) . ?
C27 H27 0.9500 . ?
C28 C30 1.387(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.386(4) . ?
C30 H30 0.9500 . ?
C31 C33 1.393(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33 0.9500 . ?
C34 C35 1.374(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.390(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.368(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.424(3) . ?
C37 H37 0.9500 . ?
C39 C40 1.388(3) . ?
C39 C46 1.396(3) . ?
C40 C41 1.389(4) . ?
C40 H40 0.9500 . ?
C41 C43 1.384(4) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.392(4) . ?
C43 H43 0.9500 . ?
C44 C46 1.395(4) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46 0.9500 . ?
C47 C48 1.373(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.401(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.371(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.421(3) . ?
C50 H50 0.9500 . ?
C52 C59 1.386(3) . ?
C52 C53 1.402(3) . ?
C53 C54 1.392(3) . ?
C53 H53 0.9500 . ?
C54 C56 1.400(4) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.379(4) . ?
C56 H56 0.9500 . ?
C57 C59 1.395(3) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
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
C7 C1 C2 C3 1.2(4) . . . . ?
Ru1 C1 C2 C3 -179.13(19) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C2 C3 C4 C6 -1.0(4) . . . . ?
C2 C3 C4 C5 176.8(3) . . . . ?
C3 C4 C5 F2C 42.1(13) . . . . ?
C6 C4 C5 F2C -140.2(12) . . . . ?
C3 C4 C5 F3C -82.0(14) . . . . ?
C6 C4 C5 F3C 95.8(14) . . . . ?
C3 C4 C5 F2 18.4(7) . . . . ?
C6 C4 C5 F2 -163.9(6) . . . . ?
C3 C4 C5 F1 141.2(5) . . . . ?
C6 C4 C5 F1 -41.0(6) . . . . ?
C3 C4 C5 F1B 121.3(9) . . . . ?
C6 C4 C5 F1B -61.0(10) . . . . ?
C3 C4 C5 F3B -117.7(12) . . . . ?
C6 C4 C5 F3B 60.0(12) . . . . ?
C3 C4 C5 F3 -100.5(6) . . . . ?
C6 C4 C5 F3 77.3(7) . . . . ?
C3 C4 C5 F1C 161.4(12) . . . . ?
C6 C4 C5 F1C -20.8(13) . . . . ?
C3 C4 C5 F2B 1.0(12) . . . . ?
C6 C4 C5 F2B 178.8(12) . . . . ?
C3 C4 C6 C7 0.7(4) . . . . ?
C5 C4 C6 C7 -177.0(2) . . . . ?
C4 C6 C7 C1 0.5(4) . . . . ?
C2 C1 C7 C6 -1.4(4) . . . . ?
Ru1 C1 C7 C6 178.89(19) . . . . ?
C12 N1 C8 C9 -0.2(4) . . . . ?
Ru1 N1 C8 C9 174.5(2) . . . . ?
N1 C8 C9 C10 -0.2(4) . . . . ?
C8 C9 C10 C11 0.3(4) . . . . ?
C9 C10 C11 C12 0.0(4) . . . . ?
C13 N2 C12 N1 -163.4(2) . . . . ?
Ru2 N2 C12 N1 15.8(3) . . . . ?
C13 N2 C12 C11 18.6(3) . . . . ?
Ru2 N2 C12 C11 -162.17(17) . . . . ?
C8 N1 C12 N2 -177.5(2) . . . . ?
Ru1 N1 C12 N2 7.5(3) . . . . ?
C8 N1 C12 C11 0.5(3) . . . . ?
Ru1 N1 C12 C11 -174.43(16) . . . . ?
C10 C11 C12 N2 177.5(2) . . . . ?
C10 C11 C12 N1 -0.4(4) . . . . ?
C12 N2 C13 C14 69.9(3) . . . . ?
Ru2 N2 C13 C14 -109.2(2) . . . . ?
C12 N2 C13 C20 -112.5(2) . . . . ?
Ru2 N2 C13 C20 68.3(3) . . . . ?
C20 C13 C14 C15 1.0(3) . . . . ?
N2 C13 C14 C15 178.5(2) . . . . ?
C16 O1 C15 C17 -168.3(2) . . . . ?
C16 O1 C15 C14 11.3(4) . . . . ?
C13 C14 C15 O1 179.8(2) . . . . ?
C13 C14 C15 C17 -0.6(4) . . . . ?
O1 C15 C17 C18 179.4(2) . . . . ?
C14 C15 C17 C18 -0.2(4) . . . . ?
C19 O2 C18 C17 -178.7(3) . . . . ?
C19 O2 C18 C20 1.7(4) . . . . ?
C15 C17 C18 O2 -179.0(2) . . . . ?
C15 C17 C18 C20 0.6(4) . . . . ?
O2 C18 C20 C13 179.3(2) . . . . ?
C17 C18 C20 C13 -0.2(4) . . . . ?
C14 C13 C20 C18 -0.6(3) . . . . ?
N2 C13 C20 C18 -178.1(2) . . . . ?
C25 N3 C21 C22 -6.1(3) . . . . ?
Ru1 N3 C21 C22 -177.48(18) . . . . ?
N3 C21 C22 C23 0.0(4) . . . . ?
C21 C22 C23 C24 2.8(4) . . . . ?
C22 C23 C24 C25 0.5(4) . . . . ?
C26 N4 C25 N3 -168.4(2) . . . . ?
Ru2 N4 C25 N3 21.5(3) . . . . ?
C26 N4 C25 C24 18.0(3) . . . . ?
Ru2 N4 C25 C24 -152.12(18) . . . . ?
C21 N3 C25 N4 -164.7(2) . . . . ?
Ru1 N3 C25 N4 7.0(3) . . . . ?
C21 N3 C25 C24 9.2(3) . . . . ?
Ru1 N3 C25 C24 -179.15(16) . . . . ?
C23 C24 C25 N4 166.8(2) . . . . ?
C23 C24 C25 N3 -6.6(3) . . . . ?
C25 N4 C26 C27 63.1(3) . . . . ?
Ru2 N4 C26 C27 -127.3(2) . . . . ?
C25 N4 C26 C33 -119.2(2) . . . . ?
Ru2 N4 C26 C33 50.4(3) . . . . ?
C33 C26 C27 C28 0.2(4) . . . . ?
N4 C26 C27 C28 177.8(2) . . . . ?
C29 O3 C28 C30 173.5(3) . . . . ?
C29 O3 C28 C27 -6.5(4) . . . . ?
C26 C27 C28 O3 179.2(2) . . . . ?
C26 C27 C28 C30 -0.9(4) . . . . ?
O3 C28 C30 C31 -178.5(2) . . . . ?
C27 C28 C30 C31 1.6(4) . . . . ?
C32 O4 C31 C30 -170.8(3) . . . . ?
C32 O4 C31 C33 8.1(4) . . . . ?
C28 C30 C31 O4 177.4(2) . . . . ?
C28 C30 C31 C33 -1.5(4) . . . . ?
O4 C31 C33 C26 -178.0(2) . . . . ?
C30 C31 C33 C26 0.8(4) . . . . ?
C27 C26 C33 C31 -0.1(4) . . . . ?
N4 C26 C33 C31 -177.7(2) . . . . ?
C38 N5 C34 C35 -1.4(4) . . . . ?
Ru1 N5 C34 C35 167.6(2) . . . . ?
N5 C34 C35 C36 0.0(4) . . . . ?
C34 C35 C36 C37 0.5(4) . . . . ?
C35 C36 C37 C38 0.4(4) . . . . ?
C39 N6 C38 N5 -163.3(2) . . . . ?
Ru2 N6 C38 N5 7.4(3) . . . . ?
C39 N6 C38 C37 17.7(3) . . . . ?
Ru2 N6 C38 C37 -171.67(18) . . . . ?
C34 N5 C38 N6 -176.8(2) . . . . ?
Ru1 N5 C38 N6 13.5(3) . . . . ?
C34 N5 C38 C37 2.3(3) . . . . ?
Ru1 N5 C38 C37 -167.41(18) . . . . ?
C36 C37 C38 N6 177.2(2) . . . . ?
C36 C37 C38 N5 -1.9(4) . . . . ?
C38 N6 C39 C40 78.2(3) . . . . ?
Ru2 N6 C39 C40 -93.0(2) . . . . ?
C38 N6 C39 C46 -108.7(3) . . . . ?
Ru2 N6 C39 C46 80.2(2) . . . . ?
C46 C39 C40 C41 -5.4(4) . . . . ?
N6 C39 C40 C41 167.5(2) . . . . ?
C42 O5 C41 C43 -33.6(4) . . . . ?
C42 O5 C41 C40 145.2(3) . . . . ?
C39 C40 C41 O5 -173.0(2) . . . . ?
C39 C40 C41 C43 5.9(4) . . . . ?
O5 C41 C43 C44 177.2(3) . . . . ?
C40 C41 C43 C44 -1.6(4) . . . . ?
C45 O6 C44 C43 -166.7(3) . . . . ?
C45 O6 C44 C46 14.7(4) . . . . ?
C41 C43 C44 O6 178.1(3) . . . . ?
C41 C43 C44 C46 -3.3(4) . . . . ?
O6 C44 C46 C39 -177.8(2) . . . . ?
C43 C44 C46 C39 3.7(4) . . . . ?
C40 C39 C46 C44 0.7(4) . . . . ?
N6 C39 C46 C44 -172.2(2) . . . . ?
C51 N7 C47 C48 -7.2(4) . . . . ?
Ru1 N7 C47 C48 173.0(2) . . . . ?
N7 C47 C48 C49 -0.5(4) . . . . ?
C47 C48 C49 C50 4.5(4) . . . . ?
C48 C49 C50 C51 -0.8(4) . . . . ?
C52 N8 C51 N7 -169.9(2) . . . . ?
Ru2 N8 C51 N7 12.5(3) . . . . ?
C52 N8 C51 C50 15.1(3) . . . . ?
Ru2 N8 C51 C50 -162.55(18) . . . . ?
C47 N7 C51 N8 -164.5(2) . . . . ?
Ru1 N7 C51 N8 15.3(3) . . . . ?
C47 N7 C51 C50 10.8(3) . . . . ?
Ru1 N7 C51 C50 -169.39(17) . . . . ?
C49 C50 C51 N8 167.8(2) . . . . ?
C49 C50 C51 N7 -7.1(4) . . . . ?
C51 N8 C52 C59 -117.0(3) . . . . ?
Ru2 N8 C52 C59 60.7(3) . . . . ?
C51 N8 C52 C53 67.5(3) . . . . ?
Ru2 N8 C52 C53 -114.8(2) . . . . ?
C59 C52 C53 C54 0.3(4) . . . . ?
N8 C52 C53 C54 175.8(2) . . . . ?
C55 O7 C54 C53 0.9(4) . . . . ?
C55 O7 C54 C56 -178.2(3) . . . . ?
C52 C53 C54 O7 -177.6(2) . . . . ?
C52 C53 C54 C56 1.5(4) . . . . ?
O7 C54 C56 C57 177.5(2) . . . . ?
C53 C54 C56 C57 -1.7(4) . . . . ?
C54 C56 C57 O8 -179.7(3) . . . . ?
C54 C56 C57 C59 0.0(4) . . . . ?
C58 O8 C57 C56 -1.6(4) . . . . ?
C58 O8 C57 C59 178.7(3) . . . . ?
C53 C52 C59 C57 -2.0(4) . . . . ?
N8 C52 C59 C57 -177.5(2) . . . . ?
C56 C57 C59 C52 1.8(4) . . . . ?
O8 C57 C59 C52 -178.4(2) . . . . ?
