#------------------------------------------------------------------------------
#$Date: 2017-10-28 05:34:56 +0300 (Sat, 28 Oct 2017) $
#$Revision: 202393 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/45/7044579.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_7044579
loop_
_publ_author_name
'Ansari, Mohd. Asif'
'Mandal, Abhishek'
'Beyer, Katharina'
'Paretzki, Alexa'
'Schwederski, Brigitte'
'Kaim, W.'
'Lahiri, Goutam Kumar'
_publ_section_title
;
 Non-innocence and mixed valency in tri- and tetranuclear ruthenium
 complexes of a heteroquinone bridging ligand
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT03509H
_journal_year                    2017
_chemical_formula_sum            'C102 H100 N8 O32.5 Ru6'
_chemical_formula_weight         2564.31
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-06-02 deposited with the CCDC.
2017-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                106.199(2)
_cell_angle_beta                 103.748(2)
_cell_angle_gamma                100.635(2)
_cell_formula_units_Z            1
_cell_length_a                   11.7442(2)
_cell_length_b                   14.8795(3)
_cell_length_c                   17.1035(3)
_cell_measurement_reflns_used    27978
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      75.0380
_cell_measurement_theta_min      2.8280
_cell_volume                     2685.21(10)
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18456
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.080
_diffrn_reflns_theta_max         67.080
_diffrn_reflns_theta_min         2.826
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    7.355
_exptl_absorpt_correction_T_max  -0.010
_exptl_absorpt_correction_T_min  10000000.000
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.027
_refine_diff_density_max         2.038
_refine_diff_density_min         -1.149
_refine_diff_density_rms         0.143
_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.014(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1332
_refine_ls_number_reflns         18456
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1344P)²+7.5560P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.1790
_reflns_Friedel_coverage         0.934
_reflns_Friedel_fraction_full    0.932
_reflns_Friedel_fraction_max     0.932
_reflns_number_gt                17513
_reflns_number_total             18456
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03509h2.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        2685.20(9)
_cod_original_formula_sum        'C102 H100 N8 O32.50 Ru6'
_cod_database_code               7044579
_shelx_shelxl_version_number     2014/7
_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   0.810
_shelx_estimated_absorpt_t_max   0.826
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ru1 Ru 0.84695(10) 0.36311(9) 0.74608(7) 0.0308(3) Uani 1 1 d . . .
Ru2 Ru 0.63551(11) 0.31834(9) 0.33315(8) 0.0351(3) Uani 1 1 d . . .
Ru3 Ru 0.61297(11) 0.04336(9) 0.26652(8) 0.0334(3) Uani 1 1 d . . .
Ru4 Ru 0.06219(11) -0.29746(9) 0.26541(8) 0.0323(3) Uani 1 1 d . . .
Ru5 Ru 0.36471(11) -0.07462(9) 0.68507(8) 0.0327(3) Uani 1 1 d . . .
Ru6 Ru 0.37442(11) -0.32010(9) 0.71564(8) 0.0317(3) Uani 1 1 d . . .
O1 O 0.8097(11) 0.2225(9) 0.6765(8) 0.035(3) Uani 1 1 d . . .
O2 O 0.6352(11) 0.1837(9) 0.3396(8) 0.037(3) Uani 1 1 d . . .
O3 O 0.6642(11) 0.3455(9) 0.7038(8) 0.037(3) Uani 1 1 d . . .
O4 O 0.8776(11) 0.5024(9) 0.8186(7) 0.036(3) Uani 1 1 d . . .
O5 O 0.8305(12) 0.3302(10) 0.8513(7) 0.040(3) Uani 1 1 d . . .
O6 O 1.0290(11) 0.3798(9) 0.7827(7) 0.034(3) Uani 1 1 d . . .
O7 O 0.7763(14) 0.3250(11) 0.2844(8) 0.047(3) Uani 1 1 d . . .
O8 O 0.6181(13) 0.4473(11) 0.3264(9) 0.049(3) Uani 1 1 d . . .
O9 O 0.5220(13) 0.2597(10) 0.2121(8) 0.047(3) Uani 1 1 d . . .
O10 O 0.4965(13) 0.3163(11) 0.3848(9) 0.049(3) Uani 1 1 d . . .
O11 O 0.7950(12) 0.0719(10) 0.3104(8) 0.042(3) Uani 1 1 d . . .
O12 O 0.6135(13) 0.0780(10) 0.1601(8) 0.043(3) Uani 1 1 d . . .
O13 O 0.6185(11) -0.0883(10) 0.2004(8) 0.041(3) Uani 1 1 d . . .
O14 O 0.4289(12) 0.0097(10) 0.2183(8) 0.041(3) Uani 1 1 d . . .
O15 O 0.0862(11) -0.3975(9) 0.3206(7) 0.036(3) Uani 1 1 d . . .
O16 O 0.3398(10) -0.2206(9) 0.6583(7) 0.032(3) Uani 1 1 d . . .
O17 O -0.0837(12) -0.3883(10) 0.1666(7) 0.039(3) Uani 1 1 d . . .
O18 O 0.1775(11) -0.3316(10) 0.1967(8) 0.036(3) Uani 1 1 d . . .
O19 O 0.0293(12) -0.2049(11) 0.2024(8) 0.044(3) Uani 1 1 d . . .
O20 O -0.0541(13) -0.2674(11) 0.3324(9) 0.048(3) Uani 1 1 d . . .
O21 O 0.4953(13) -0.3415(10) 0.6522(9) 0.046(3) Uani 1 1 d . . .
O22 O 0.4979(12) -0.2192(11) 0.8215(9) 0.045(3) Uani 1 1 d . . .
O23 O 0.4292(10) -0.4128(9) 0.7714(7) 0.034(3) Uani 1 1 d . . .
O24 O 0.2501(11) -0.3025(9) 0.7800(7) 0.036(3) Uani 1 1 d . . .
O25 O 0.5497(10) -0.0483(9) 0.7077(8) 0.036(3) Uani 1 1 d . . .
O26 O 0.3715(12) 0.0673(9) 0.7129(9) 0.043(3) Uani 1 1 d . . .
O27 O 0.4012(13) -0.0524(10) 0.8109(8) 0.043(3) Uani 1 1 d . . .
O28 O 0.1839(12) -0.0969(10) 0.6634(9) 0.042(3) Uani 1 1 d . . .
N1 N 0.8397(12) 0.3776(11) 0.6327(8) 0.028(3) Uani 1 1 d . . .
N2 N 0.7461(12) 0.3623(11) 0.4567(8) 0.030(3) Uani 1 1 d . . .
N3 N 0.6129(12) 0.0208(11) 0.3788(8) 0.033(3) Uani 1 1 d . . .
N4 N 0.6833(13) 0.0321(11) 0.5532(9) 0.033(3) Uani 1 1 d . . .
N5 N 0.1913(13) -0.2131(11) 0.3757(8) 0.028(3) Uani 1 1 d . . .
N6 N 0.3230(13) -0.1159(11) 0.5545(9) 0.034(3) Uani 1 1 d . . .
N7 N 0.2482(13) -0.4122(10) 0.6043(8) 0.029(3) Uani 1 1 d . . .
N8 N 0.0967(14) -0.5112(11) 0.4300(9) 0.033(3) Uani 1 1 d . . .
C1 C 0.7642(16) 0.2072(13) 0.5969(10) 0.033(4) Uani 1 1 d . . .
C2 C 0.7792(14) 0.2912(12) 0.5698(9) 0.027(3) Uani 1 1 d . . .
C3 C 0.8700(16) 0.4554(12) 0.6037(10) 0.029(4) Uani 1 1 d . . .
C4 C 0.9508(15) 0.5428(13) 0.6635(11) 0.032(4) Uani 1 1 d . . .
H01Z H 0.9829 0.5481 0.7204 0.039 Uiso 1 1 calc R U .
C5 C 0.9821(15) 0.6217(12) 0.6360(11) 0.032(4) Uani 1 1 d . . .
H01H H 1.0353 0.6798 0.6751 0.038 Uiso 1 1 calc R U .
C6 C 0.9349(17) 0.6142(13) 0.5518(11) 0.037(4) Uani 1 1 d . . .
H022 H 0.9581 0.6668 0.5344 0.045 Uiso 1 1 calc R U .
C7 C 0.8531(17) 0.5287(13) 0.4927(12) 0.033(4) Uani 1 1 d . . .
H01Q H 0.8185 0.5261 0.4370 0.040 Uiso 1 1 calc R U .
C8 C 0.8226(15) 0.4479(12) 0.5156(11) 0.032(4) Uani 1 1 d . . .
C9 C 0.7345(15) 0.2841(13) 0.4842(12) 0.030(4) Uani 1 1 d . . .
C10 C 0.6789(16) 0.1929(14) 0.4216(11) 0.035(4) Uani 1 1 d . . .
C11 C 0.6675(14) 0.1069(11) 0.4455(10) 0.028(3) Uani 1 1 d . . .
C12 C 0.5781(17) -0.0606(14) 0.4015(12) 0.038(4) Uani 1 1 d . . .
C13 C 0.5080(16) -0.1492(13) 0.3378(11) 0.035(4) Uani 1 1 d . . .
H03G H 0.4823 -0.1541 0.2806 0.042 Uiso 1 1 calc R U .
C14 C 0.4778(17) -0.2300(14) 0.3629(12) 0.036(4) Uani 1 1 d . . .
H01B H 0.4312 -0.2895 0.3222 0.044 Uiso 1 1 calc R U .
C15 C 0.5173(17) -0.2216(13) 0.4485(12) 0.038(4) Uani 1 1 d . . .
H01U H 0.4952 -0.2762 0.4637 0.045 Uiso 1 1 calc R U .
C16 C 0.5877(17) -0.1360(14) 0.5122(11) 0.036(4) Uani 1 1 d . . .
H023 H 0.6138 -0.1331 0.5688 0.043 Uiso 1 1 calc R U .
C17 C 0.6198(17) -0.0518(13) 0.4890(12) 0.036(4) Uani 1 1 d . . .
C18 C 0.7021(16) 0.1117(12) 0.5312(12) 0.033(4) Uani 1 1 d . . .
C19 C 0.4942(18) 0.3903(17) 0.6440(14) 0.052(5) Uani 1 1 d . . .
H03D H 0.4978 0.3849 0.5874 0.078 Uiso 1 1 calc R U .
H03E H 0.4554 0.4401 0.6629 0.078 Uiso 1 1 calc R U .
H03F H 0.4484 0.3295 0.6433 0.078 Uiso 1 1 calc R U .
C20 C 0.6194(19) 0.4160(16) 0.7031(12) 0.045(5) Uani 1 1 d . . .
C21 C 0.6759(15) 0.5131(14) 0.7544(11) 0.037(4) Uani 1 1 d . . .
H02L H 0.6305 0.5577 0.7508 0.044 Uiso 1 1 calc R U .
C22 C 0.7973(15) 0.5496(13) 0.8118(11) 0.034(4) Uani 1 1 d . . .
C23 C 0.8345(17) 0.6517(14) 0.8718(12) 0.041(4) Uani 1 1 d . . .
H03V H 0.8868 0.6557 0.9258 0.061 Uiso 1 1 calc R U .
H03W H 0.7635 0.6713 0.8797 0.061 Uiso 1 1 calc R U .
H03X H 0.8772 0.6937 0.8484 0.061 Uiso 1 1 calc R U .
C24 C 0.881(2) 0.284(2) 0.9740(15) 0.062(6) Uani 1 1 d . . .
H03H H 0.8820 0.3402 1.0189 0.093 Uiso 1 1 calc R U .
H03I H 0.9390 0.2526 0.9964 0.093 Uiso 1 1 calc R U .
H03J H 0.8012 0.2397 0.9516 0.093 Uiso 1 1 calc R U .
C25 C 0.914(2) 0.3147(14) 0.9038(11) 0.044(5) Uani 1 1 d . . .
C26 C 1.0353(19) 0.327(2) 0.9033(13) 0.056(6) Uani 1 1 d . . .
H03N H 1.0884 0.3148 0.9466 0.067 Uiso 1 1 calc R U .
C27 C 1.0838(18) 0.3549(16) 0.8444(13) 0.047(5) Uani 1 1 d . . .
C28 C 1.214(2) 0.357(2) 0.8502(17) 0.071(8) Uani 1 1 d . . .
H03O H 1.2178 0.2933 0.8191 0.106 Uiso 1 1 calc R U .
H03P H 1.2610 0.3749 0.9091 0.106 Uiso 1 1 calc R U .
H03R H 1.2459 0.4029 0.8261 0.106 Uiso 1 1 calc R U .
C29 C 0.9141(19) 0.3819(16) 0.2185(12) 0.050(5) Uani 1 1 d . . .
H02D H 0.9763 0.4424 0.2438 0.076 Uiso 1 1 calc R U .
H02E H 0.8849 0.3672 0.1577 0.076 Uiso 1 1 calc R U .
H02F H 0.9471 0.3311 0.2306 0.076 Uiso 1 1 calc R U .
C30 C 0.8157(19) 0.3894(14) 0.2535(11) 0.045(5) Uani 1 1 d . . .
C31 C 0.763(2) 0.4664(16) 0.2485(12) 0.050(5) Uani 1 1 d . . .
H036 H 0.7907 0.5039 0.2181 0.060 Uiso 1 1 calc R U .
C32 C 0.672(2) 0.4929(15) 0.2845(14) 0.057(6) Uani 1 1 d . . .
C33 C 0.632(3) 0.579(2) 0.272(2) 0.084(9) Uani 1 1 d . . .
H03S H 0.5460 0.5601 0.2449 0.126 Uiso 1 1 calc R U .
H03T H 0.6730 0.6024 0.2360 0.126 Uiso 1 1 calc R U .
H03U H 0.6529 0.6289 0.3262 0.126 Uiso 1 1 calc R U .
C34 C 0.348(3) 0.167(3) 0.1007(17) 0.094(11) Uani 1 1 d . . .
H6A H 0.3194 0.2106 0.0736 0.141 Uiso 1 1 calc R U .
H6B H 0.2806 0.1151 0.0939 0.141 Uiso 1 1 calc R U .
H6C H 0.4044 0.1409 0.0748 0.141 Uiso 1 1 calc R U .
C35 C 0.412(2) 0.2220(19) 0.1952(15) 0.060(6) Uani 1 1 d . . .
C36 C 0.344(2) 0.2288(19) 0.2541(18) 0.065(7) Uani 1 1 d . . .
H03Q H 0.2614 0.1961 0.2319 0.078 Uiso 1 1 calc R U .
C37 C 0.3869(17) 0.2778(16) 0.3387(18) 0.054(6) Uani 1 1 d . . .
C38 C 0.297(2) 0.287(2) 0.391(2) 0.070(8) Uani 1 1 d . . .
H15A H 0.2539 0.2238 0.3866 0.106 Uiso 1 1 calc R U .
H15B H 0.2401 0.3197 0.3689 0.106 Uiso 1 1 calc R U .
H15C H 0.3410 0.3243 0.4498 0.106 Uiso 1 1 calc R U .
C39 C 0.9961(18) 0.1030(17) 0.3062(13) 0.053(6) Uani 1 1 d . . .
H02A H 1.0292 0.1580 0.3581 0.080 Uiso 1 1 calc R U .
H02B H 1.0411 0.1105 0.2673 0.080 Uiso 1 1 calc R U .
H02C H 1.0018 0.0448 0.3190 0.080 Uiso 1 1 calc R U .
C40 C 0.8660(17) 0.0964(13) 0.2664(13) 0.041(4) Uani 1 1 d . . .
C41 C 0.8295(19) 0.1150(14) 0.1920(13) 0.046(5) Uani 1 1 d . . .
H02Y H 0.8911 0.1338 0.1696 0.056 Uiso 1 1 calc R U .
C42 C 0.7117(18) 0.1095(14) 0.1448(13) 0.043(4) Uani 1 1 d . . .
C43 C 0.693(2) 0.1427(18) 0.0680(13) 0.062(7) Uani 1 1 d . . .
H03K H 0.6227 0.0984 0.0230 0.093 Uiso 1 1 calc R U .
H03L H 0.7633 0.1441 0.0486 0.093 Uiso 1 1 calc R U .
H03M H 0.6808 0.2066 0.0836 0.093 Uiso 1 1 calc R U .
C44 C 0.5592(19) -0.2370(15) 0.0895(12) 0.049(5) Uani 1 1 d . . .
H02G H 0.6334 -0.2169 0.0771 0.074 Uiso 1 1 calc R U .
H02H H 0.4949 -0.2725 0.0370 0.074 Uiso 1 1 calc R U .
H02I H 0.5698 -0.2777 0.1240 0.074 Uiso 1 1 calc R U .
C45 C 0.5278(17) -0.1508(15) 0.1363(11) 0.042(4) Uani 1 1 d . . .
C46 C 0.4098(18) -0.1435(14) 0.1145(12) 0.041(4) Uani 1 1 d . . .
H034 H 0.3535 -0.1935 0.0677 0.049 Uiso 1 1 calc R U .
C47 C 0.3675(18) -0.0687(15) 0.1557(11) 0.042(4) Uani 1 1 d . . .
C48 C 0.2327(17) -0.0782(15) 0.1268(11) 0.041(4) Uani 1 1 d . . .
H03A H 0.2148 -0.0247 0.1638 0.061 Uiso 1 1 calc R U .
H03B H 0.1887 -0.1381 0.1289 0.061 Uiso 1 1 calc R U .
H03C H 0.2089 -0.0776 0.0693 0.061 Uiso 1 1 calc R U .
C49 C 0.1426(16) -0.3590(14) 0.3997(11) 0.034(4) Uani 1 1 d . . .
C50 C 0.2042(13) -0.2581(12) 0.4336(9) 0.025(3) Uani 1 1 d . . .
C51 C 0.2567(15) -0.1127(14) 0.4074(11) 0.035(4) Uani 1 1 d . . .
C52 C 0.2599(17) -0.0616(14) 0.3511(12) 0.037(4) Uani 1 1 d . . .
H0AA H 0.2188 -0.0930 0.2931 0.045 Uiso 1 1 calc R U .
C53 C 0.3229(17) 0.0350(15) 0.3796(12) 0.039(4) Uani 1 1 d . . .
H02M H 0.3231 0.0691 0.3416 0.047 Uiso 1 1 calc R U .
C54 C 0.3876(17) 0.0816(13) 0.4677(11) 0.036(4) Uani 1 1 d . . .
H01C H 0.4313 0.1466 0.4871 0.043 Uiso 1 1 calc R U .
C55 C 0.3870(17) 0.0323(13) 0.5259(12) 0.035(4) Uani 1 1 d . . .
H02T H 0.4289 0.0642 0.5837 0.041 Uiso 1 1 calc R U .
C56 C 0.3221(16) -0.0667(12) 0.4963(10) 0.031(4) Uani 1 1 d . . .
C57 C 0.2664(17) -0.2125(14) 0.5205(11) 0.037(4) Uani 1 1 d . . .
C58 C 0.2789(16) -0.2645(13) 0.5749(10) 0.031(4) Uani 1 1 d . . .
C59 C 0.2277(16) -0.3680(12) 0.5456(10) 0.033(4) Uani 1 1 d . . .
C60 C 0.1779(16) -0.5085(12) 0.5754(10) 0.030(4) Uani 1 1 d . . .
C61 C 0.1828(18) -0.5594(14) 0.6344(12) 0.041(4) Uani 1 1 d . . .
H02K H 0.2297 -0.5280 0.6913 0.050 Uiso 1 1 calc R U .
C62 C 0.1164(19) -0.6573(13) 0.6067(12) 0.038(4) Uani 1 1 d . . .
H027 H 0.1208 -0.6916 0.6447 0.046 Uiso 1 1 calc R U .
C63 C 0.0436(16) -0.7027(13) 0.5216(11) 0.034(4) Uani 1 1 d . . .
H02J H -0.0023 -0.7669 0.5035 0.041 Uiso 1 1 calc R U .
C64 C 0.0390(16) -0.6538(12) 0.4645(11) 0.034(4) Uani 1 1 d . . .
H01L H -0.0092 -0.6854 0.4080 0.040 Uiso 1 1 calc R U .
C65 C 0.1063(14) -0.5562(12) 0.4901(10) 0.029(3) Uani 1 1 d . . .
C66 C 0.1552(16) -0.4166(12) 0.4586(10) 0.029(3) Uani 1 1 d . . .
C67 C -0.210(2) -0.483(2) 0.0260(12) 0.059(6) Uani 1 1 d . . .
H02U H -0.2458 -0.5380 0.0391 0.088 Uiso 1 1 calc R U .
H02V H -0.2026 -0.5043 -0.0306 0.088 Uiso 1 1 calc R U .
H02W H -0.2597 -0.4386 0.0292 0.088 Uiso 1 1 calc R U .
C68 C -0.0822(19) -0.4313(14) 0.0910(11) 0.043(4) Uani 1 1 d . . .
C69 C 0.0227(19) -0.4337(16) 0.0678(12) 0.046(5) Uani 1 1 d . . .
H1AA H 0.0115 -0.4718 0.0118 0.055 Uiso 1 1 calc R U .
C70 C 0.144(2) -0.3861(14) 0.1179(12) 0.042(4) Uani 1 1 d . . .
C71 C 0.243(2) -0.4077(15) 0.0851(13) 0.049(5) Uani 1 1 d . . .
H03 H 0.2959 -0.3484 0.0883 0.073 Uiso 1 1 calc R U .
HD H 0.2103 -0.4501 0.0266 0.073 Uiso 1 1 calc R U .
HE H 0.2882 -0.4388 0.1187 0.073 Uiso 1 1 calc R U .
C72 C -0.094(3) -0.1220(19) 0.1385(17) 0.069(7) Uani 1 1 d . . .
H3AA H -0.0284 -0.0679 0.1464 0.104 Uiso 1 1 calc R U .
HH H -0.1653 -0.1000 0.1420 0.104 Uiso 1 1 calc R U .
HI H -0.1112 -0.1700 0.0834 0.104 Uiso 1 1 calc R U .
C73 C -0.0601(19) -0.1643(14) 0.2049(13) 0.046(5) Uani 1 1 d . . .
C74 C -0.120(2) -0.1618(16) 0.2642(17) 0.056(6) Uani 1 1 d . . .
H6AA H -0.1747 -0.1236 0.2636 0.067 Uiso 1 1 calc R U .
C75 C -0.1137(18) -0.2075(16) 0.3258(13) 0.049(5) Uani 1 1 d . . .
C76 C -0.177(2) -0.179(2) 0.3927(18) 0.080(9) Uani 1 1 d . . .
H03Z H -0.1637 -0.2158 0.4307 0.120 Uiso 1 1 calc R U .
HB H -0.2624 -0.1927 0.3653 0.120 Uiso 1 1 calc R U .
HC H -0.1440 -0.1111 0.4248 0.120 Uiso 1 1 calc R U .
C77 C 0.684(2) -0.320(2) 0.626(2) 0.074(8) Uani 1 1 d . . .
H H 0.7610 -0.2727 0.6476 0.111 Uiso 1 1 calc R U .
H03Y H 0.6432 -0.3238 0.5690 0.111 Uiso 1 1 calc R U .
HA H 0.6959 -0.3827 0.6250 0.111 Uiso 1 1 calc R U .
C78 C 0.6083(17) -0.2929(18) 0.6816(15) 0.050(5) Uani 1 1 d . . .
C79 C 0.6621(18) -0.2178(17) 0.7615(16) 0.053(5) Uani 1 1 d . . .
H02O H 0.7434 -0.1861 0.7731 0.063 Uiso 1 1 calc R U .
C80 C 0.613(2) -0.1866(16) 0.8220(14) 0.053(5) Uani 1 1 d . . .
C81 C 0.680(3) -0.101(2) 0.9030(18) 0.087(10) Uani 1 1 d . . .
H7AA H 0.6560 -0.0439 0.8974 0.131 Uiso 1 1 calc R U .
HN H 0.7662 -0.0893 0.9120 0.131 Uiso 1 1 calc R U .
HO H 0.6611 -0.1140 0.9508 0.131 Uiso 1 1 calc R U .
C82 C 0.4890(18) -0.4701(18) 0.8864(13) 0.050(5) Uani 1 1 d . . .
H01A H 0.4800 -0.5330 0.8468 0.075 Uiso 1 1 calc R U .
H01D H 0.4640 -0.4776 0.9342 0.075 Uiso 1 1 calc R U .
H01E H 0.5727 -0.4332 0.9060 0.075 Uiso 1 1 calc R U .
C83 C 0.4129(15) -0.4191(13) 0.8437(10) 0.032(4) Uani 1 1 d . . .
C84 C 0.3277(17) -0.3812(15) 0.8771(12) 0.042(4) Uani 1 1 d . . .
H02N H 0.3223 -0.3900 0.9279 0.050 Uiso 1 1 calc R U .
C85 C 0.2495(16) -0.3315(13) 0.8435(10) 0.035(4) Uani 1 1 d . . .
C86 C 0.1518(16) -0.3092(14) 0.8825(10) 0.039(4) Uani 1 1 d . . .
H2AA H 0.1144 -0.2667 0.8586 0.058 Uiso 1 1 calc R U .
HF H 0.1870 -0.2781 0.9432 0.058 Uiso 1 1 calc R U .
HG H 0.0915 -0.3685 0.8706 0.058 Uiso 1 1 calc R U .
C87 C 0.7540(18) 0.0412(17) 0.7607(13) 0.051(5) Uani 1 1 d . . .
H4AA H 0.7900 0.0542 0.8207 0.076 Uiso 1 1 calc R U .
HJ H 0.7935 0.0924 0.7444 0.076 Uiso 1 1 calc R U .
HK H 0.7636 -0.0196 0.7286 0.076 Uiso 1 1 calc R U .
C88 C 0.6236(18) 0.0361(16) 0.7430(12) 0.044(4) Uani 1 1 d . . .
C89 C 0.5873(18) 0.1232(14) 0.7701(13) 0.046(5) Uani 1 1 d . . .
H02Q H 0.6501 0.1784 0.8044 0.056 Uiso 1 1 calc R U .
C90 C 0.4725(18) 0.1371(13) 0.7526(12) 0.040(4) Uani 1 1 d . . .
C91 C 0.452(2) 0.2351(15) 0.7825(16) 0.059(6) Uani 1 1 d . . .
H02P H 0.3902 0.2420 0.7383 0.089 Uiso 1 1 calc R U .
H02R H 0.5266 0.2839 0.7955 0.089 Uiso 1 1 calc R U .
H02S H 0.4272 0.2426 0.8328 0.089 Uiso 1 1 calc R U .
C92 C 0.364(2) -0.0655(18) 0.9369(13) 0.059(6) Uani 1 1 d . . .
H5AA H 0.4039 -0.1162 0.9380 0.089 Uiso 1 1 calc R U .
HL H 0.2974 -0.0749 0.9598 0.089 Uiso 1 1 calc R U .
HM H 0.4210 -0.0036 0.9709 0.089 Uiso 1 1 calc R U .
C93 C 0.3169(19) -0.0683(15) 0.8460(12) 0.044(5) Uani 1 1 d . . .
C94 C 0.191(2) -0.0875(18) 0.8048(15) 0.054(6) Uani 1 1 d . . .
H94 H 0.1413 -0.0936 0.8389 0.065 Uiso 1 1 calc R U .
C95 C 0.131(2) -0.0986(15) 0.7205(14) 0.049(5) Uani 1 1 d . . .
C96 C -0.004(2) -0.1134(18) 0.6914(18) 0.062(6) Uani 1 1 d . . .
H8AA H -0.0213 -0.0539 0.6875 0.093 Uiso 1 1 calc R U .
HP H -0.0388 -0.1325 0.7317 0.093 Uiso 1 1 calc R U .
HQ H -0.0388 -0.1633 0.6362 0.093 Uiso 1 1 calc R U .
C111 C 0.006(7) 0.064(6) 1.017(5) 0.096(19) Uiso 0.5 1 d . . P
C222 C 0.208(4) 0.149(4) 0.897(3) 0.066(12) Uiso 0.5 1 d D . P
C333 C 1.475(6) 0.400(5) 1.064(4) 0.079(16) Uiso 0.5 1 d . . P
C444 C 0.018(4) 0.139(3) 0.726(3) 0.103(11) Uiso 1 1 d . . .
C555 C 0.143(3) 0.099(2) 0.6132(18) 0.070(7) Uiso 1 1 d . . .
C666 C 0.192(6) 0.378(5) 0.159(4) 0.17(2) Uiso 1 1 d . . .
C777 C 0.365(5) 0.497(5) 0.314(4) 0.070(14) Uiso 0.5 1 d . . P
C888 C 0.449(4) 0.523(3) 0.379(3) 0.049(9) Uiso 0.5 1 d . . P
C999 C 0.433(5) 0.523(4) 0.465(3) 0.065(12) Uiso 0.5 1 d . . P
O101 O 0.518(12) 0.347(10) 1.049(9) 0.26(6) Uiso 0.5 1 d . . P
O111 O 0.037(5) 0.000(4) 0.957(3) 0.107(15) Uiso 0.5 1 d . . P
O222 O 0.083(4) 0.108(5) 0.877(5) 0.15(2) Uiso 0.5 1 d D . P
O333 O 1.380(6) 0.389(5) 1.055(4) 0.126(19) Uiso 0.5 1 d . . P
O444 O 0.0280(13) 0.1216(11) 0.6519(9) 0.047(3) Uiso 1 1 d . . .
O555 O 0.0679(17) 0.0371(15) 0.4917(12) 0.073(5) Uiso 1 1 d . . .
O666 O 0.262(6) 0.474(5) 0.254(4) 0.14(2) Uiso 0.5 1 d . . P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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
N1 Ru1 O1 81.5(5) .
N1 Ru1 O4 100.5(5) .
O1 Ru1 O4 177.0(4) .
N1 Ru1 O6 94.7(5) .
O1 Ru1 O6 93.4(5) .
O4 Ru1 O6 88.6(5) .
N1 Ru1 O5 170.9(5) .
O1 Ru1 O5 91.8(5) .
O4 Ru1 O5 86.0(5) .
O6 Ru1 O5 91.8(5) .
N1 Ru1 O3 82.8(5) .
O1 Ru1 O3 85.7(5) .
O4 Ru1 O3 92.4(5) .
O6 Ru1 O3 177.4(5) .
O5 Ru1 O3 90.6(5) .
O8 Ru2 O9 86.9(6) .
O8 Ru2 O7 92.6(6) .
O9 Ru2 O7 88.2(6) .
O8 Ru2 O10 86.1(6) .
O9 Ru2 O10 93.1(6) .
O7 Ru2 O10 178.1(6) .
O8 Ru2 O2 174.2(5) .
O9 Ru2 O2 90.9(5) .
O7 Ru2 O2 92.7(5) .
O10 Ru2 O2 88.7(6) .
O8 Ru2 N2 99.3(6) .
O9 Ru2 N2 173.5(6) .
O7 Ru2 N2 93.5(5) .
O10 Ru2 N2 85.4(5) .
O2 Ru2 N2 82.7(6) .
O13 Ru3 O11 85.2(5) .
O13 Ru3 O12 86.6(5) .
O11 Ru3 O12 94.3(6) .
O13 Ru3 O14 92.5(5) .
O11 Ru3 O14 177.7(5) .
O12 Ru3 O14 84.9(6) .
O13 Ru3 N3 98.4(6) .
O11 Ru3 N3 85.8(5) .
O12 Ru3 N3 175.0(6) .
O14 Ru3 N3 95.1(5) .
O13 Ru3 O2 171.4(5) .
O11 Ru3 O2 86.2(5) .
O12 Ru3 O2 93.2(5) .
O14 Ru3 O2 96.0(5) .
N3 Ru3 O2 81.8(6) .
O15 Ru4 O19 175.7(5) .
O15 Ru4 N5 80.3(5) .
O19 Ru4 N5 103.9(6) .
O15 Ru4 O20 86.8(6) .
O19 Ru4 O20 93.7(6) .
N5 Ru4 O20 84.2(5) .
O15 Ru4 O17 94.4(5) .
O19 Ru4 O17 81.4(5) .
N5 Ru4 O17 170.6(5) .
O20 Ru4 O17 87.8(5) .
O15 Ru4 O18 92.1(5) .
O19 Ru4 O18 87.2(5) .
N5 Ru4 O18 96.7(5) .
O20 Ru4 O18 178.5(6) .
O17 Ru4 O18 91.2(5) .
O27 Ru5 O26 87.4(6) .
O27 Ru5 O28 94.3(6) .
O26 Ru5 O28 85.8(5) .
O27 Ru5 O16 91.4(5) .
O26 Ru5 O16 173.9(5) .
O28 Ru5 O16 88.3(5) .
O27 Ru5 N6 172.7(6) .
O26 Ru5 N6 99.8(6) .
O28 Ru5 N6 85.0(6) .
O16 Ru5 N6 81.3(5) .
O27 Ru5 O25 85.7(5) .
O26 Ru5 O25 92.8(5) .
O28 Ru5 O25 178.6(6) .
O16 Ru5 O25 93.0(5) .
N6 Ru5 O25 95.1(5) .
O23 Ru6 O21 86.7(5) .
O23 Ru6 O22 83.3(5) .
O21 Ru6 O22 94.4(6) .
O23 Ru6 N7 101.8(5) .
O21 Ru6 N7 85.1(6) .
O22 Ru6 N7 174.8(6) .
O23 Ru6 O24 91.9(5) .
O21 Ru6 O24 178.3(6) .
O22 Ru6 O24 86.4(5) .
N7 Ru6 O24 94.1(5) .
O23 Ru6 O16 173.0(5) .
O21 Ru6 O16 87.3(5) .
O22 Ru6 O16 93.5(5) .
N7 Ru6 O16 81.4(5) .
O24 Ru6 O16 94.1(5) .
C1 O1 Ru1 111.6(12) .
C10 O2 Ru2 107.9(11) .
C10 O2 Ru3 108.5(12) .
Ru2 O2 Ru3 142.9(7) .
C20 O3 Ru1 122.2(12) .
C22 O4 Ru1 123.0(11) .
C25 O5 Ru1 125.2(12) .
C27 O6 Ru1 123.1(12) .
C30 O7 Ru2 126.4(15) .
C32 O8 Ru2 123.6(15) .
C35 O9 Ru2 122.5(14) .
C37 O10 Ru2 121.5(15) .
C40 O11 Ru3 122.2(13) .
C42 O12 Ru3 122.5(14) .
C45 O13 Ru3 124.0(14) .
C47 O14 Ru3 122.0(13) .
C49 O15 Ru4 111.7(12) .
C58 O16 Ru6 110.9(11) .
C58 O16 Ru5 107.8(11) .
Ru6 O16 Ru5 141.3(6) .
C68 O17 Ru4 125.7(12) .
C70 O18 Ru4 124.7(12) .
C73 O19 Ru4 122.3(13) .
C75 O20 Ru4 123.7(14) .
C78 O21 Ru6 123.7(14) .
C80 O22 Ru6 120.3(13) .
C83 O23 Ru6 124.7(11) .
C85 O24 Ru6 122.8(12) .
C88 O25 Ru5 123.7(13) .
C90 O26 Ru5 123.3(13) .
C93 O27 Ru5 122.6(13) .
C95 O28 Ru5 123.9(15) .
C2 N1 C3 114.7(13) .
C2 N1 Ru1 109.3(11) .
C3 N1 Ru1 135.6(11) .
C9 N2 C8 115.8(15) .
C9 N2 Ru2 108.2(11) .
C8 N2 Ru2 136.0(13) .
C11 N3 C12 115.9(14) .
C11 N3 Ru3 109.3(11) .
C12 N3 Ru3 134.7(12) .
C18 N4 C17 116.1(16) .
C50 N5 C51 114.9(14) .
C50 N5 Ru4 111.6(11) .
C51 N5 Ru4 132.7(12) .
C57 N6 C56 115.7(14) .
C57 N6 Ru5 108.6(11) .
C56 N6 Ru5 134.8(11) .
C59 N7 C60 113.4(14) .
C59 N7 Ru6 111.1(10) .
C60 N7 Ru6 135.5(11) .
C66 N8 C65 115.9(14) .
O1 C1 C2 116.7(15) .
O1 C1 C18 125.4(17) .
C2 C1 C18 118.0(15) .
N1 C2 C9 122.0(16) .
N1 C2 C1 115.8(14) .
C9 C2 C1 122.2(14) .
N1 C3 C4 117.9(15) .
N1 C3 C8 122.3(14) .
C4 C3 C8 119.8(16) .
C5 C4 C3 118.8(16) .
C5 C4 H01Z 120.6 .
C3 C4 H01Z 120.6 .
C6 C5 C4 120.9(16) .
C6 C5 H01H 119.6 .
C4 C5 H01H 119.6 .
C5 C6 C7 120.6(17) .
C5 C6 H022 119.7 .
C7 C6 H022 119.7 .
C8 C7 C6 120.9(17) .
C8 C7 H01Q 119.5 .
C6 C7 H01Q 119.5 .
N2 C8 C7 121.2(17) .
N2 C8 C3 120.0(15) .
C7 C8 C3 118.8(15) .
N2 C9 C10 116.8(16) .
N2 C9 C2 123.6(16) .
C10 C9 C2 119.6(16) .
O2 C10 C9 121.0(17) .
O2 C10 C11 119.1(16) .
C9 C10 C11 119.9(15) .
N3 C11 C18 122.6(15) .
N3 C11 C10 115.2(15) .
C18 C11 C10 122.1(14) .
N3 C12 C13 119.8(16) .
N3 C12 C17 118.2(16) .
C13 C12 C17 121.9(18) .
C14 C13 C12 118.1(17) .
C14 C13 H03G 121.0 .
C12 C13 H03G 121.0 .
C15 C14 C13 120.2(17) .
C15 C14 H01B 119.9 .
C13 C14 H01B 119.9 .
C16 C15 C14 123.0(17) .
C16 C15 H01U 118.5 .
C14 C15 H01U 118.5 .
C15 C16 C17 118.4(16) .
C15 C16 H023 120.8 .
C17 C16 H023 120.8 .
N4 C17 C12 124.6(17) .
N4 C17 C16 117.0(16) .
C12 C17 C16 118.4(17) .
N4 C18 C11 121.8(15) .
N4 C18 C1 120.3(17) .
C11 C18 C1 117.9(15) .
C20 C19 H03D 109.5 .
C20 C19 H03E 109.5 .
H03D C19 H03E 109.5 .
C20 C19 H03F 109.5 .
H03D C19 H03F 109.5 .
H03E C19 H03F 109.5 .
O3 C20 C21 125.7(19) .
O3 C20 C19 115.2(18) .
C21 C20 C19 119(2) .
C20 C21 C22 125.6(19) .
C20 C21 H02L 117.2 .
C22 C21 H02L 117.2 .
O4 C22 C21 126.3(17) .
O4 C22 C23 115.9(16) .
C21 C22 C23 117.7(17) .
C22 C23 H03V 109.5 .
C22 C23 H03W 109.5 .
H03V C23 H03W 109.5 .
C22 C23 H03X 109.5 .
H03V C23 H03X 109.5 .
H03W C23 H03X 109.5 .
C25 C24 H03H 109.5 .
C25 C24 H03I 109.5 .
H03H C24 H03I 109.5 .
C25 C24 H03J 109.5 .
H03H C24 H03J 109.5 .
H03I C24 H03J 109.5 .
O5 C25 C26 125.3(17) .
O5 C25 C24 117.2(19) .
C26 C25 C24 117.4(19) .
C27 C26 C25 126.4(19) .
C27 C26 H03N 116.8 .
C25 C26 H03N 116.8 .
O6 C27 C26 127.1(18) .
O6 C27 C28 114.0(19) .
C26 C27 C28 119(2) .
C27 C28 H03O 109.5 .
C27 C28 H03P 109.5 .
H03O C28 H03P 109.5 .
C27 C28 H03R 109.5 .
H03O C28 H03R 109.5 .
H03P C28 H03R 109.5 .
C30 C29 H02D 109.5 .
C30 C29 H02E 109.5 .
H02D C29 H02E 109.5 .
C30 C29 H02F 109.5 .
H02D C29 H02F 109.5 .
H02E C29 H02F 109.5 .
O7 C30 C31 123.0(19) .
O7 C30 C29 120(2) .
C31 C30 C29 117.4(17) .
C30 C31 C32 127.4(17) .
C30 C31 H036 116.3 .
C32 C31 H036 116.3 .
O8 C32 C31 125(2) .
O8 C32 C33 117(2) .
C31 C32 C33 117(2) .
C32 C33 H03S 109.5 .
C32 C33 H03T 109.5 .
H03S C33 H03T 109.5 .
C32 C33 H03U 109.5 .
H03S C33 H03U 109.5 .
H03T C33 H03U 109.5 .
C35 C34 H6A 109.5 .
C35 C34 H6B 109.5 .
H6A C34 H6B 109.5 .
C35 C34 H6C 109.5 .
H6A C34 H6C 109.5 .
H6B C34 H6C 109.5 .
O9 C35 C36 127(2) .
O9 C35 C34 114(2) .
C36 C35 C34 120(2) .
C37 C36 C35 126(2) .
C37 C36 H03Q 116.8 .
C35 C36 H03Q 116.8 .
O10 C37 C36 128(2) .
O10 C37 C38 113(2) .
C36 C37 C38 119(2) .
C37 C38 H15A 109.5 .
C37 C38 H15B 109.5 .
H15A C38 H15B 109.5 .
C37 C38 H15C 109.5 .
H15A C38 H15C 109.5 .
H15B C38 H15C 109.5 .
C40 C39 H02A 109.5 .
C40 C39 H02B 109.5 .
H02A C39 H02B 109.5 .
C40 C39 H02C 109.5 .
H02A C39 H02C 109.5 .
H02B C39 H02C 109.5 .
O11 C40 C41 125.8(18) .
O11 C40 C39 113.0(19) .
C41 C40 C39 121.1(17) .
C40 C41 C42 128.6(16) .
C40 C41 H02Y 115.7 .
C42 C41 H02Y 115.7 .
O12 C42 C41 126.0(19) .
O12 C42 C43 114(2) .
C41 C42 C43 119.8(17) .
C42 C43 H03K 109.5 .
C42 C43 H03L 109.5 .
H03K C43 H03L 109.5 .
C42 C43 H03M 109.5 .
H03K C43 H03M 109.5 .
H03L C43 H03M 109.5 .
C45 C44 H02G 109.5 .
C45 C44 H02H 109.5 .
H02G C44 H02H 109.5 .
C45 C44 H02I 109.5 .
H02G C44 H02I 109.5 .
H02H C44 H02I 109.5 .
O13 C45 C46 125.5(19) .
O13 C45 C44 113.9(18) .
C46 C45 C44 120.4(17) .
C45 C46 C47 126.0(18) .
C45 C46 H034 117.0 .
C47 C46 H034 117.0 .
O14 C47 C46 128.1(19) .
O14 C47 C48 113.9(18) .
C46 C47 C48 118.0(17) .
C47 C48 H03A 109.5 .
C47 C48 H03B 109.5 .
H03A C48 H03B 109.5 .
C47 C48 H03C 109.5 .
H03A C48 H03C 109.5 .
H03B C48 H03C 109.5 .
O15 C49 C50 119.3(16) .
O15 C49 C66 122.5(16) .
C50 C49 C66 118.1(15) .
N5 C50 C57 124.8(16) .
N5 C50 C49 113.9(14) .
C57 C50 C49 121.2(16) .
C52 C51 C56 120.4(17) .
C52 C51 N5 119.7(16) .
C56 C51 N5 119.8(16) .
C53 C52 C51 121.1(18) .
C53 C52 H0AA 119.5 .
C51 C52 H0AA 119.5 .
C52 C53 C54 119.0(18) .
C52 C53 H02M 120.5 .
C54 C53 H02M 120.5 .
C55 C54 C53 121.4(18) .
C55 C54 H01C 119.3 .
C53 C54 H01C 119.3 .
C54 C55 C56 119.3(16) .
C54 C55 H02T 120.4 .
C56 C55 H02T 120.4 .
N6 C56 C55 119.1(15) .
N6 C56 C51 122.2(15) .
C55 C56 C51 118.8(16) .
N6 C57 C58 116.6(16) .
N6 C57 C50 122.2(17) .
C58 C57 C50 121.1(17) .
O16 C58 C57 121.0(16) .
O16 C58 C59 117.2(15) .
C57 C58 C59 121.8(16) .
N7 C59 C66 124.1(15) .
N7 C59 C58 116.8(15) .
C66 C59 C58 119.0(16) .
N7 C60 C65 122.1(15) .
N7 C60 C61 118.4(15) .
C65 C60 C61 119.6(16) .
C62 C61 C60 119.8(17) .
C62 C61 H02K 120.1 .
C60 C61 H02K 120.1 .
C63 C62 C61 119.5(17) .
C63 C62 H027 120.3 .
C61 C62 H027 120.3 .
C64 C63 C62 120.8(17) .
C64 C63 H02J 119.6 .
C62 C63 H02J 119.6 .
C63 C64 C65 120.9(16) .
C63 C64 H01L 119.5 .
C65 C64 H01L 119.5 .
N8 C65 C60 122.6(15) .
N8 C65 C64 118.0(15) .
C60 C65 C64 119.4(16) .
N8 C66 C59 121.4(15) .
N8 C66 C49 120.1(15) .
C59 C66 C49 118.5(15) .
C68 C67 H02U 109.5 .
C68 C67 H02V 109.5 .
H02U C67 H02V 109.5 .
C68 C67 H02W 109.5 .
H02U C67 H02W 109.5 .
H02V C67 H02W 109.5 .
O17 C68 C69 124.4(18) .
O17 C68 C67 113.8(18) .
C69 C68 C67 121.8(17) .
C68 C69 C70 128.3(17) .
C68 C69 H1AA 115.9 .
C70 C69 H1AA 115.9 .
O18 C70 C69 125.1(17) .
O18 C70 C71 114.5(18) .
C69 C70 C71 119.9(17) .
C70 C71 H03 109.5 .
C70 C71 HD 109.5 .
H03 C71 HD 109.5 .
C70 C71 HE 109.5 .
H03 C71 HE 109.5 .
HD C71 HE 109.5 .
C73 C72 H3AA 109.5 .
C73 C72 HH 109.5 .
H3AA C72 HH 109.5 .
C73 C72 HI 109.5 .
H3AA C72 HI 109.5 .
HH C72 HI 109.5 .
O19 C73 C74 123(2) .
O19 C73 C72 116(2) .
C74 C73 C72 121(2) .
C73 C74 C75 130(2) .
C73 C74 H6AA 114.8 .
C75 C74 H6AA 114.8 .
O20 C75 C74 124.6(18) .
O20 C75 C76 117(2) .
C74 C75 C76 119(2) .
C75 C76 H03Z 109.5 .
C75 C76 HB 109.5 .
H03Z C76 HB 109.5 .
C75 C76 HC 109.5 .
H03Z C76 HC 109.5 .
HB C76 HC 109.5 .
C78 C77 H 109.5 .
C78 C77 H03Y 109.5 .
H C77 H03Y 109.5 .
C78 C77 HA 109.5 .
H C77 HA 109.5 .
H03Y C77 HA 109.5 .
O21 C78 C79 124.8(18) .
O21 C78 C77 116(2) .
C79 C78 C77 120(2) .
C80 C79 C78 128.7(19) .
C80 C79 H02O 115.6 .
C78 C79 H02O 115.6 .
C79 C80 O22 128(2) .
C79 C80 C81 123(2) .
O22 C80 C81 109(2) .
C80 C81 H7AA 109.5 .
C80 C81 HN 109.5 .
H7AA C81 HN 109.5 .
C80 C81 HO 109.5 .
H7AA C81 HO 109.5 .
HN C81 HO 109.5 .
C83 C82 H01A 109.5 .
C83 C82 H01D 109.5 .
H01A C82 H01D 109.5 .
C83 C82 H01E 109.5 .
H01A C82 H01E 109.5 .
H01D C82 H01E 109.5 .
O23 C83 C84 122.4(16) .
O23 C83 C82 115.8(15) .
C84 C83 C82 121.8(16) .
C83 C84 C85 128.0(16) .
C83 C84 H02N 116.0 .
C85 C84 H02N 116.0 .
O24 C85 C84 126.6(16) .
O24 C85 C86 113.9(17) .
C84 C85 C86 119.5(16) .
C85 C86 H2AA 109.5 .
C85 C86 HF 109.5 .
H2AA C86 HF 109.5 .
C85 C86 HG 109.5 .
H2AA C86 HG 109.5 .
HF C86 HG 109.5 .
C88 C87 H4AA 109.5 .
C88 C87 HJ 109.5 .
H4AA C87 HJ 109.5 .
C88 C87 HK 109.5 .
H4AA C87 HK 109.5 .
HJ C87 HK 109.5 .
O25 C88 C89 123.9(18) .
O25 C88 C87 117(2) .
C89 C88 C87 119.4(19) .
C90 C89 C88 129.2(18) .
C90 C89 H02Q 115.4 .
C88 C89 H02Q 115.4 .
O26 C90 C89 124.6(17) .
O26 C90 C91 113.5(18) .
C89 C90 C91 121.8(18) .
C90 C91 H02P 109.5 .
C90 C91 H02R 109.5 .
H02P C91 H02R 109.5 .
C90 C91 H02S 109.5 .
H02P C91 H02S 109.5 .
H02R C91 H02S 109.5 .
C93 C92 H5AA 109.5 .
C93 C92 HL 109.5 .
H5AA C92 HL 109.5 .
C93 C92 HM 109.5 .
H5AA C92 HM 109.5 .
HL C92 HM 109.5 .
O27 C93 C94 124.6(18) .
O27 C93 C92 113.8(19) .
C94 C93 C92 121.6(16) .
C95 C94 C93 129.4(15) .
C95 C94 H94 115.3 .
C93 C94 H94 115.3 .
O28 C95 C94 124(2) .
O28 C95 C96 115(2) .
C94 C95 C96 120.3(18) .
C95 C96 H8AA 109.5 .
C95 C96 HP 109.5 .
H8AA C96 HP 109.5 .
C95 C96 HQ 109.5 .
H8AA C96 HQ 109.5 .
HP C96 HQ 109.5 .
O101 C333 O333 126(10) 1_655
O444 C555 O555 104.9(16) .
C888 C777 O666 168(7) .
C777 C888 C999 123(5) .
C444 O444 C555 132(2) .
C777 O666 C666 134(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1 1.995(13) .
Ru1 O1 2.002(13) .
Ru1 O4 2.010(13) .
Ru1 O6 2.026(13) .
Ru1 O5 2.034(12) .
Ru1 O3 2.037(13) .
Ru2 O8 1.998(15) .
Ru2 O9 2.019(13) .
Ru2 O7 2.020(14) .
Ru2 O10 2.031(15) .
Ru2 O2 2.036(13) .
Ru2 N2 2.047(13) .
Ru3 O13 1.992(14) .
Ru3 O11 2.009(13) .
Ru3 O12 2.025(14) .
Ru3 O14 2.032(14) .
Ru3 N3 2.041(14) .
Ru3 O2 2.044(13) .
Ru4 O15 2.000(13) .
Ru4 O19 2.008(15) .
Ru4 N5 2.013(14) .
Ru4 O20 2.016(13) .
Ru4 O17 2.029(13) .
Ru4 O18 2.037(12) .
Ru5 O27 2.010(12) .
Ru5 O26 2.012(13) .
Ru5 O28 2.014(13) .
Ru5 O16 2.040(13) .
Ru5 N6 2.051(14) .
Ru5 O25 2.056(12) .
Ru6 O23 1.998(13) .
Ru6 O21 2.001(14) .
Ru6 O22 2.017(14) .
Ru6 N7 2.038(14) .
Ru6 O24 2.038(12) .
Ru6 O16 2.040(13) .
O1 C1 1.28(2) .
O2 C10 1.33(2) .
O3 C20 1.26(3) .
O4 C22 1.28(2) .
O5 C25 1.26(3) .
O6 C27 1.28(3) .
O7 C30 1.28(2) .
O8 C32 1.31(3) .
O9 C35 1.24(3) .
O10 C37 1.26(3) .
O11 C40 1.32(2) .
O12 C42 1.28(2) .
O13 C45 1.31(2) .
O14 C47 1.29(2) .
O15 C49 1.27(2) .
O16 C58 1.34(2) .
O17 C68 1.28(2) .
O18 C70 1.28(2) .
O19 C73 1.31(3) .
O20 C75 1.24(3) .
O21 C78 1.29(2) .
O22 C80 1.34(3) .
O23 C83 1.321(19) .
O24 C85 1.28(2) .
O25 C88 1.27(2) .
O26 C90 1.31(2) .
O27 C93 1.29(2) .
O28 C95 1.28(2) .
N1 C2 1.36(2) .
N1 C3 1.40(2) .
N2 C9 1.37(2) .
N2 C8 1.37(2) .
N3 C11 1.37(2) .
N3 C12 1.39(2) .
N4 C18 1.34(2) .
N4 C17 1.35(2) .
N5 C50 1.34(2) .
N5 C51 1.43(2) .
N6 C57 1.36(2) .
N6 C56 1.39(2) .
N7 C59 1.35(2) .
N7 C60 1.40(2) .
N8 C66 1.34(2) .
N8 C65 1.37(2) .
C1 C2 1.45(3) .
C1 C18 1.47(2) .
C2 C9 1.40(2) .
C3 C4 1.41(2) .
C3 C8 1.44(2) .
C4 C5 1.40(2) .
C4 H01Z 0.9300 .
C5 C6 1.38(3) .
C5 H01H 0.9300 .
C6 C7 1.39(2) .
C6 H022 0.9300 .
C7 C8 1.38(2) .
C7 H01Q 0.9300 .
C9 C10 1.39(3) .
C10 C11 1.44(3) .
C11 C18 1.40(2) .
C12 C13 1.41(3) .
C12 C17 1.42(3) .
C13 C14 1.40(3) .
C13 H03G 0.9300 .
C14 C15 1.39(3) .
C14 H01B 0.9300 .
C15 C16 1.38(3) .
C15 H01U 0.9300 .
C16 C17 1.43(3) .
C16 H023 0.9300 .
C19 C20 1.48(3) .
C19 H03D 0.9600 .
C19 H03E 0.9600 .
C19 H03F 0.9600 .
C20 C21 1.40(3) .
C21 C22 1.43(2) .
C21 H02L 0.9300 .
C22 C23 1.49(2) .
C23 H03V 0.9600 .
C23 H03W 0.9600 .
C23 H03X 0.9600 .
C24 C25 1.50(3) .
C24 H03H 0.9600 .
C24 H03I 0.9600 .
C24 H03J 0.9600 .
C25 C26 1.41(3) .
C26 C27 1.39(3) .
C26 H03N 0.9300 .
C27 C28 1.50(3) .
C28 H03O 0.9600 .
C28 H03P 0.9600 .
C28 H03R 0.9600 .
C29 C30 1.43(3) .
C29 H02D 0.9600 .
C29 H02E 0.9600 .
C29 H02F 0.9600 .
C30 C31 1.41(3) .
C31 C32 1.41(3) .
C31 H036 0.9300 .
C32 C33 1.49(4) .
C33 H03S 0.9600 .
C33 H03T 0.9600 .
C33 H03U 0.9600 .
C34 C35 1.52(3) .
C34 H6A 0.9600 .
C34 H6B 0.9600 .
C34 H6C 0.9600 .
C35 C36 1.42(4) .
C36 C37 1.35(4) .
C36 H03Q 0.9300 .
C37 C38 1.54(3) .
C38 H15A 0.9600 .
C38 H15B 0.9600 .
C38 H15C 0.9600 .
C39 C40 1.49(3) .
C39 H02A 0.9600 .
C39 H02B 0.9600 .
C39 H02C 0.9600 .
C40 C41 1.36(3) .
C41 C42 1.40(3) .
C41 H02Y 0.9300 .
C42 C43 1.51(3) .
C43 H03K 0.9600 .
C43 H03L 0.9600 .
C43 H03M 0.9600 .
C44 C45 1.47(3) .
C44 H02G 0.9600 .
C44 H02H 0.9600 .
C44 H02I 0.9600 .
C45 C46 1.38(3) .
C46 C47 1.38(3) .
C46 H034 0.9300 .
C47 C48 1.51(3) .
C48 H03A 0.9600 .
C48 H03B 0.9600 .
C48 H03C 0.9600 .
C49 C50 1.42(2) .
C49 C66 1.49(2) .
C50 C57 1.39(2) .
C51 C52 1.39(3) .
C51 C56 1.43(2) .
C52 C53 1.38(3) .
C52 H0AA 0.9300 .
C53 C54 1.42(3) .
C53 H02M 0.9300 .
C54 C55 1.39(3) .
C54 H01C 0.9300 .
C55 C56 1.41(2) .
C55 H02T 0.9300 .
C57 C58 1.37(3) .
C58 C59 1.44(2) .
C59 C66 1.43(2) .
C60 C65 1.40(2) .
C60 C61 1.42(3) .
C61 C62 1.41(3) .
C61 H02K 0.9300 .
C62 C63 1.40(3) .
C62 H027 0.9300 .
C63 C64 1.37(3) .
C63 H02J 0.9300 .
C64 C65 1.41(2) .
C64 H01L 0.9300 .
C67 C68 1.54(3) .
C67 H02U 0.9600 .
C67 H02V 0.9600 .
C67 H02W 0.9600 .
C68 C69 1.38(3) .
C69 C70 1.40(3) .
C69 H1AA 0.9300 .
C70 C71 1.46(3) .
C71 H03 0.9600 .
C71 HD 0.9600 .
C71 HE 0.9600 .
C72 C73 1.46(3) .
C72 H3AA 0.9600 .
C72 HH 0.9600 .
C72 HI 0.9600 .
C73 C74 1.37(3) .
C74 C75 1.40(4) .
C74 H6AA 0.9300 .
C75 C76 1.51(3) .
C76 H03Z 0.9600 .
C76 HB 0.9600 .
C76 HC 0.9600 .
C77 C78 1.47(3) .
C77 H 0.9600 .
C77 H03Y 0.9600 .
C77 HA 0.9600 .
C78 C79 1.41(3) .
C79 C80 1.32(3) .
C79 H02O 0.9300 .
C80 C81 1.52(3) .
C81 H7AA 0.9600 .
C81 HN 0.9600 .
C81 HO 0.9600 .
C82 C83 1.47(3) .
C82 H01A 0.9600 .
C82 H01D 0.9600 .
C82 H01E 0.9600 .
C83 C84 1.40(3) .
C84 C85 1.40(3) .
C84 H02N 0.9300 .
C85 C86 1.50(2) .
C86 H2AA 0.9600 .
C86 HF 0.9600 .
C86 HG 0.9600 .
C87 C88 1.47(3) .
C87 H4AA 0.9600 .
C87 HJ 0.9600 .
C87 HK 0.9600 .
C88 C89 1.43(3) .
C89 C90 1.38(3) .
C89 H02Q 0.9300 .
C90 C91 1.49(3) .
C91 H02P 0.9600 .
C91 H02R 0.9600 .
C91 H02S 0.9600 .
C92 C93 1.51(3) .
C92 H5AA 0.9600 .
C92 HL 0.9600 .
C92 HM 0.9600 .
C93 C94 1.41(3) .
C94 C95 1.39(3) .
C94 H94 0.9300 .
C95 C96 1.50(3) .
C96 H8AA 0.9600 .
C96 HP 0.9600 .
C96 HQ 0.9600 .
C111 O111 1.36(9) .
C222 O222 1.394(15) .
C333 O101 1.03(14) 1_655
C333 O333 1.07(8) .
C444 O444 1.26(4) .
C555 O444 1.69(3) .
C555 O555 1.93(3) .
C666 O666 1.73(9) .
C777 C888 1.22(7) .
C777 O666 1.29(8) .
C888 C999 1.52(7) .
O101 C333 1.03(14) 1_455
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
Ru1 O1 C1 C2 16.6(18)
Ru1 O1 C1 C18 -165.4(13)
C3 N1 C2 C9 -10(2)
Ru1 N1 C2 C9 164.4(12)
C3 N1 C2 C1 170.3(14)
Ru1 N1 C2 C1 -15.8(17)
O1 C1 C2 N1 0(2)
C18 C1 C2 N1 -178.6(14)
O1 C1 C2 C9 179.4(15)
C18 C1 C2 C9 1(2)
C2 N1 C3 C4 -169.0(15)
Ru1 N1 C3 C4 19(2)
C2 N1 C3 C8 10(2)
Ru1 N1 C3 C8 -161.5(13)
N1 C3 C4 C5 -179.7(15)
C8 C3 C4 C5 1(2)
C3 C4 C5 C6 0(3)
C4 C5 C6 C7 1(3)
C5 C6 C7 C8 -4(3)
C9 N2 C8 C7 172.2(16)
Ru2 N2 C8 C7 -10(3)
C9 N2 C8 C3 -10(2)
Ru2 N2 C8 C3 168.5(12)
C6 C7 C8 N2 -177.2(17)
C6 C7 C8 C3 5(3)
N1 C3 C8 N2 -1(3)
C4 C3 C8 N2 178.6(15)
N1 C3 C8 C7 177.5(15)
C4 C3 C8 C7 -3(3)
C8 N2 C9 C10 -166.7(15)
Ru2 N2 C9 C10 14.7(18)
C8 N2 C9 C2 11(2)
Ru2 N2 C9 C2 -167.8(13)
N1 C2 C9 N2 -1(3)
C1 C2 C9 N2 179.3(15)
N1 C2 C9 C10 176.5(15)
C1 C2 C9 C10 -3(2)
Ru2 O2 C10 C9 -11.1(19)
Ru3 O2 C10 C9 161.9(13)
Ru2 O2 C10 C11 168.5(12)
Ru3 O2 C10 C11 -18.4(18)
N2 C9 C10 O2 -3(2)
C2 C9 C10 O2 179.8(15)
N2 C9 C10 C11 177.8(15)
C2 C9 C10 C11 0(2)
C12 N3 C11 C18 9(2)
Ru3 N3 C11 C18 -167.5(13)
C12 N3 C11 C10 -167.1(15)
Ru3 N3 C11 C10 16.8(18)
O2 C10 C11 N3 1(2)
C9 C10 C11 N3 -179.2(15)
O2 C10 C11 C18 -174.5(15)
C9 C10 C11 C18 5(3)
C11 N3 C12 C13 171.9(16)
Ru3 N3 C12 C13 -13(3)
C11 N3 C12 C17 -11(2)
Ru3 N3 C12 C17 164.1(13)
N3 C12 C13 C14 178.2(17)
C17 C12 C13 C14 1(3)
C12 C13 C14 C15 0(3)
C13 C14 C15 C16 -1(3)
C14 C15 C16 C17 1(3)
C18 N4 C17 C12 3(3)
C18 N4 C17 C16 -173.7(16)
N3 C12 C17 N4 5(3)
C13 C12 C17 N4 -177.4(17)
N3 C12 C17 C16 -177.9(16)
C13 C12 C17 C16 -1(3)
C15 C16 C17 N4 176.6(16)
C15 C16 C17 C12 0(3)
C17 N4 C18 C11 -6(2)
C17 N4 C18 C1 176.6(15)
N3 C11 C18 N4 0(3)
C10 C11 C18 N4 175.2(16)
N3 C11 C18 C1 177.6(15)
C10 C11 C18 C1 -7(2)
O1 C1 C18 N4 4(3)
C2 C1 C18 N4 -178.4(15)
O1 C1 C18 C11 -174.1(16)
C2 C1 C18 C11 4(2)
Ru1 O3 C20 C21 -23(2)
Ru1 O3 C20 C19 159.0(13)
O3 C20 C21 C22 5(3)
C19 C20 C21 C22 -177.4(17)
Ru1 O4 C22 C21 1(2)
Ru1 O4 C22 C23 178.8(11)
C20 C21 C22 O4 8(3)
C20 C21 C22 C23 -169.8(17)
Ru1 O5 C25 C26 7(3)
Ru1 O5 C25 C24 -175.5(15)
O5 C25 C26 C27 -2(4)
C24 C25 C26 C27 -180(2)
Ru1 O6 C27 C26 -10(3)
Ru1 O6 C27 C28 169.4(16)
C25 C26 C27 O6 4(4)
C25 C26 C27 C28 -175(2)
Ru2 O7 C30 C31 -1(3)
Ru2 O7 C30 C29 -177.8(12)
O7 C30 C31 C32 8(3)
C29 C30 C31 C32 -174(2)
Ru2 O8 C32 C31 -10(3)
Ru2 O8 C32 C33 168.9(18)
C30 C31 C32 O8 -3(3)
C30 C31 C32 C33 179(2)
Ru2 O9 C35 C36 12(4)
Ru2 O9 C35 C34 -169.8(19)
O9 C35 C36 C37 0(5)
C34 C35 C36 C37 -177(3)
Ru2 O10 C37 C36 4(3)
Ru2 O10 C37 C38 -178.3(14)
C35 C36 C37 O10 -10(5)
C35 C36 C37 C38 173(3)
Ru3 O11 C40 C41 7(3)
Ru3 O11 C40 C39 -173.4(13)
O11 C40 C41 C42 -2(3)
C39 C40 C41 C42 178.0(19)
Ru3 O12 C42 C41 7(3)
Ru3 O12 C42 C43 -172.8(13)
C40 C41 C42 O12 -6(3)
C40 C41 C42 C43 174(2)
Ru3 O13 C45 C46 -12(3)
Ru3 O13 C45 C44 171.3(13)
O13 C45 C46 C47 1(3)
C44 C45 C46 C47 176.9(19)
Ru3 O14 C47 C46 4(3)
Ru3 O14 C47 C48 -177.5(11)
C45 C46 C47 O14 4(3)
C45 C46 C47 C48 -174.8(18)
Ru4 O15 C49 C50 -14.6(19)
Ru4 O15 C49 C66 170.1(12)
C51 N5 C50 C57 6(2)
Ru4 N5 C50 C57 -165.8(13)
C51 N5 C50 C49 -177.4(14)
Ru4 N5 C50 C49 11.3(17)
O15 C49 C50 N5 2(2)
C66 C49 C50 N5 177.7(14)
O15 C49 C50 C57 179.4(16)
C66 C49 C50 C57 -5(2)
C50 N5 C51 C52 173.4(15)
Ru4 N5 C51 C52 -18(2)
C50 N5 C51 C56 -4(2)
Ru4 N5 C51 C56 164.8(13)
C56 C51 C52 C53 -2(3)
N5 C51 C52 C53 -179.5(17)
C51 C52 C53 C54 1(3)
C52 C53 C54 C55 -1(3)
C53 C54 C55 C56 1(3)
C57 N6 C56 C55 -175.2(17)
Ru5 N6 C56 C55 18(3)
C57 N6 C56 C51 5(3)
Ru5 N6 C56 C51 -161.7(14)
C54 C55 C56 N6 179.3(16)
C54 C55 C56 C51 -1(3)
C52 C51 C56 N6 -178.8(16)
N5 C51 C56 N6 -1(3)
C52 C51 C56 C55 2(3)
N5 C51 C56 C55 179.4(15)
C56 N6 C57 C58 172.2(16)
Ru5 N6 C57 C58 -17(2)
C56 N6 C57 C50 -4(3)
Ru5 N6 C57 C50 166.1(14)
N5 C50 C57 N6 -1(3)
C49 C50 C57 N6 -178.3(16)
N5 C50 C57 C58 -177.7(16)
C49 C50 C57 C58 5(3)
Ru6 O16 C58 C57 -167.3(14)
Ru5 O16 C58 C57 13(2)
Ru6 O16 C58 C59 12.8(19)
Ru5 O16 C58 C59 -166.5(13)
N6 C57 C58 O16 3(3)
C50 C57 C58 O16 179.3(16)
N6 C57 C58 C59 -177.2(16)
C50 C57 C58 C59 -1(3)
C60 N7 C59 C66 -9(2)
Ru6 N7 C59 C66 172.3(13)
C60 N7 C59 C58 168.9(16)
Ru6 N7 C59 C58 -10.3(19)
O16 C58 C59 N7 -2(2)
C57 C58 C59 N7 178.4(16)
O16 C58 C59 C66 175.8(15)
C57 C58 C59 C66 -4(3)
C59 N7 C60 C65 8(2)
Ru6 N7 C60 C65 -173.0(12)
C59 N7 C60 C61 -173.8(16)
Ru6 N7 C60 C61 5(3)
N7 C60 C61 C62 -177.9(18)
C65 C60 C61 C62 0(3)
C60 C61 C62 C63 -2(3)
C61 C62 C63 C64 2(3)
C62 C63 C64 C65 -1(3)
C66 N8 C65 C60 -3(2)
C66 N8 C65 C64 175.3(15)
N7 C60 C65 N8 -2(3)
C61 C60 C65 N8 179.4(16)
N7 C60 C65 C64 178.9(16)
C61 C60 C65 C64 1(2)
C63 C64 C65 N8 -179.3(15)
C63 C64 C65 C60 -1(2)
C65 N8 C66 C59 3(2)
C65 N8 C66 C49 -175.2(14)
N7 C59 C66 N8 3(3)
C58 C59 C66 N8 -174.0(16)
N7 C59 C66 C49 -178.5(16)
C58 C59 C66 C49 4(2)
O15 C49 C66 N8 -6(3)
C50 C49 C66 N8 178.5(15)
O15 C49 C66 C59 175.6(16)
C50 C49 C66 C59 0(2)
Ru4 O17 C68 C69 10(3)
Ru4 O17 C68 C67 -171.0(14)
O17 C68 C69 C70 -5(4)
C67 C68 C69 C70 176(2)
Ru4 O18 C70 C69 -3(3)
Ru4 O18 C70 C71 -174.2(12)
C68 C69 C70 O18 1(4)
C68 C69 C70 C71 172(2)
Ru4 O19 C73 C74 16(2)
Ru4 O19 C73 C72 -163.2(14)
O19 C73 C74 C75 -8(4)
C72 C73 C74 C75 171(2)
Ru4 O20 C75 C74 8(3)
Ru4 O20 C75 C76 -168.1(15)
C73 C74 C75 O20 -6(4)
C73 C74 C75 C76 170(2)
Ru6 O21 C78 C79 -1(3)
Ru6 O21 C78 C77 179.0(16)
O21 C78 C79 C80 4(4)
C77 C78 C79 C80 -176(3)
C78 C79 C80 O22 0(4)
C78 C79 C80 C81 -176(2)
Ru6 O22 C80 C79 -6(3)
Ru6 O22 C80 C81 170.9(17)
Ru6 O23 C83 C84 18(2)
Ru6 O23 C83 C82 -162.9(13)
O23 C83 C84 C85 -1(3)
C82 C83 C84 C85 -179.8(19)
Ru6 O24 C85 C84 -2(2)
Ru6 O24 C85 C86 178.7(10)
C83 C84 C85 O24 -8(3)
C83 C84 C85 C86 171.2(17)
Ru5 O25 C88 C89 -1(3)
Ru5 O25 C88 C87 175.2(12)
O25 C88 C89 C90 -12(4)
C87 C88 C89 C90 172(2)
Ru5 O26 C90 C89 9(3)
Ru5 O26 C90 C91 -167.7(14)
C88 C89 C90 O26 7(3)
C88 C89 C90 C91 -176(2)
Ru5 O27 C93 C94 -11(3)
Ru5 O27 C93 C92 168.9(14)
O27 C93 C94 C95 4(4)
C92 C93 C94 C95 -176(2)
Ru5 O28 C95 C94 -1(3)
Ru5 O28 C95 C96 178.2(14)
C93 C94 C95 O28 3(4)
C93 C94 C95 C96 -177(2)
O666 C777 C888 C999 22(38)
O555 C555 O444 C444 161(3)
C888 C777 O666 C666 -136(32)
