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#$Date: 2020-04-05 13:52:45 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250300 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703547.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_7703547
loop_
_publ_author_name
'Yan, Xinlong'
'Dong, Qing'
'Li, Ying'
'Meng, Lizhen'
'Hao, Zhiqiang'
'Han, Zhangang'
'Lu, Guo-Liang'
'Lin, Jin'
_publ_section_title
;
 Aerobic oxidation of primary benzylic amines to amides and nitriles
 catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3480
_journal_page_last               3487
_journal_paper_doi               10.1039/d0dt00045k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C34 H18 Br2 N2 O10 Ru3'
_chemical_formula_weight         1077.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-13 deposited with the CCDC.	2020-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                80.5840(10)
_cell_angle_beta                 74.3200(10)
_cell_angle_gamma                67.5180(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9227(5)
_cell_length_b                   12.4570(6)
_cell_length_c                   16.0614(8)
_cell_measurement_reflns_used    2318
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.19
_cell_measurement_theta_min      1.01
_cell_volume                     1762.10(15)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine--focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24809
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.315
_diffrn_reflns_theta_min         2.281
_exptl_absorpt_coefficient_mu    3.596
_exptl_absorpt_correction_T_max  0.5636
_exptl_absorpt_correction_T_min  0.3812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_description       block
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.251
_refine_diff_density_min         -1.380
_refine_diff_density_rms         0.296
_refine_ls_extinction_coef       0.0441(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         8654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0775P)²+1.4560P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1211
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7490
_reflns_number_total             8654
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00045k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7703547--7703549.cif.'
_cod_database_code               7703547
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Br1 Br 0.49005(8) 0.14167(5) 0.31571(3) 0.0813(2) Uani 1 1 d . . . . .
Br2 Br 0.72595(8) 0.78184(6) 1.02169(4) 0.0870(2) Uani 1 1 d . . . . .
C1 C 0.6561(4) 0.6261(3) 0.8364(2) 0.0452(8) Uani 1 1 d . . . . .
H1 H 0.5785 0.6376 0.8101 0.054 Uiso 1 1 calc R U . . .
C2 C 0.6357(5) 0.7007(4) 0.8982(3) 0.0537(9) Uani 1 1 d . . . . .
H2 H 0.5453 0.7620 0.9131 0.064 Uiso 1 1 calc R U . . .
C3 C 0.7517(5) 0.6818(4) 0.9366(3) 0.0535(10) Uani 1 1 d . . . . .
C4 C 0.8868(5) 0.5914(4) 0.9150(3) 0.0539(9) Uani 1 1 d . . . . .
H4 H 0.9641 0.5803 0.9415 0.065 Uiso 1 1 calc R U . . .
C5 C 0.9061(5) 0.5176(4) 0.8538(3) 0.0494(9) Uani 1 1 d . . . . .
H5 H 0.9964 0.4561 0.8395 0.059 Uiso 1 1 calc R U . . .
C6 C 0.7909(4) 0.5348(3) 0.8136(2) 0.0405(7) Uani 1 1 d . . . . .
C7 C 0.7897(4) 0.5089(3) 0.6747(2) 0.0416(7) Uani 1 1 d . . . . .
H7 H 0.7470 0.5897 0.6721 0.050 Uiso 1 1 calc R U . . .
C8 C 0.8205(4) 0.4545(3) 0.5945(2) 0.0392(7) Uani 1 1 d . . . . .
C9 C 0.8143(4) 0.5301(4) 0.5187(3) 0.0463(8) Uani 1 1 d . . . . .
H9 H 0.7775 0.6101 0.5237 0.056 Uiso 1 1 calc R U . . .
C10 C 0.8613(4) 0.4884(4) 0.4380(2) 0.0522(10) Uani 1 1 d . . . . .
H10 H 0.8548 0.5397 0.3889 0.063 Uiso 1 1 calc R U . . .
C11 C 0.9185(5) 0.3697(5) 0.4300(3) 0.0567(10) Uani 1 1 d . . . . .
H11 H 0.9553 0.3408 0.3753 0.068 Uiso 1 1 calc R U . . .
C12 C 0.9211(5) 0.2937(4) 0.5031(2) 0.0501(9) Uani 1 1 d . . . . .
H12 H 0.9575 0.2139 0.4970 0.060 Uiso 1 1 calc R U . . .
C13 C 0.8700(4) 0.3346(3) 0.5863(2) 0.0392(7) Uani 1 1 d . . . . .
C14 C 0.5358(4) 0.3739(3) 0.8132(2) 0.0338(6) Uani 1 1 d . . . . .
C15 C 0.4950(4) 0.4212(3) 0.8937(2) 0.0447(8) Uani 1 1 d . . . . .
H15 H 0.5544 0.3860 0.9336 0.054 Uiso 1 1 calc R U . . .
C16 C 0.3688(4) 0.5188(4) 0.9151(3) 0.0517(9) Uani 1 1 d . . . . .
H16 H 0.3438 0.5479 0.9692 0.062 Uiso 1 1 calc R U . . .
C17 C 0.2789(4) 0.5739(4) 0.8565(3) 0.0537(10) Uani 1 1 d . . . . .
H17 H 0.1957 0.6412 0.8701 0.064 Uiso 1 1 calc R U . . .
C18 C 0.3145(4) 0.5278(3) 0.7783(3) 0.0486(8) Uani 1 1 d . . . . .
H18 H 0.2532 0.5639 0.7395 0.058 Uiso 1 1 calc R U . . .
C19 C 0.4413(4) 0.4271(3) 0.7548(2) 0.0398(7) Uani 1 1 d . . . . .
C20 C 0.4604(4) 0.3828(3) 0.6729(2) 0.0421(7) Uani 1 1 d . . . . .
H20 H 0.3974 0.4308 0.6375 0.051 Uiso 1 1 calc R U . . .
C21 C 0.5347(4) 0.2575(3) 0.5642(2) 0.0384(7) Uani 1 1 d . . . . .
C22 C 0.5848(5) 0.3067(4) 0.4853(3) 0.0565(10) Uani 1 1 d . . . . .
H22 H 0.6269 0.3629 0.4815 0.068 Uiso 1 1 calc R U . . .
C23 C 0.5720(6) 0.2714(5) 0.4101(3) 0.0619(11) Uani 1 1 d . . . . .
H23 H 0.6092 0.3017 0.3558 0.074 Uiso 1 1 calc R U . . .
C24 C 0.5046(5) 0.1923(3) 0.4172(2) 0.0487(9) Uani 1 1 d . . . . .
C25 C 0.4474(5) 0.1480(4) 0.4960(3) 0.0529(9) Uani 1 1 d . . . . .
H25 H 0.3968 0.0975 0.4999 0.064 Uiso 1 1 calc R U . . .
C26 C 0.4652(5) 0.1785(3) 0.5700(3) 0.0472(8) Uani 1 1 d . . . . .
H26 H 0.4303 0.1459 0.6239 0.057 Uiso 1 1 calc R U . . .
C27 C 0.6090(5) 0.0733(3) 0.7673(3) 0.0480(8) Uani 1 1 d . . . . .
C28 C 0.8073(5) 0.0462(3) 0.6238(3) 0.0505(9) Uani 1 1 d . . . . .
C29 C 0.9518(6) -0.1199(4) 0.7794(3) 0.0625(12) Uani 1 1 d . . . . .
C30 C 1.0831(5) 0.0398(4) 0.6816(3) 0.0532(10) Uani 1 1 d . . . . .
C31 C 1.1036(6) -0.0150(5) 0.8576(3) 0.0710(13) Uani 1 1 d . . . . .
C32 C 0.7799(5) 0.0668(4) 0.8945(3) 0.0517(9) Uani 1 1 d . . . . .
C33 C 0.8846(4) 0.2624(3) 0.8970(2) 0.0446(8) Uani 1 1 d . . . . .
C34 C 1.0880(5) 0.2441(4) 0.7606(3) 0.0510(9) Uani 1 1 d . . . . .
N1 N 0.8142(3) 0.4587(3) 0.74849(19) 0.0394(6) Uani 1 1 d . . . . .
N2 N 0.5536(3) 0.2853(3) 0.64285(19) 0.0404(6) Uani 1 1 d . . . . .
O1 O 0.8562(5) -0.0236(3) 0.5757(2) 0.0799(11) Uani 1 1 d . . . . .
O2 O 0.5379(5) 0.0218(3) 0.8071(2) 0.0724(10) Uani 1 1 d . . . . .
O3 O 0.9590(7) -0.2085(3) 0.7666(3) 0.1035(16) Uani 1 1 d . . . . .
O4 O 1.1633(4) 0.0421(4) 0.6167(2) 0.0752(10) Uani 1 1 d . . . . .
O5 O 1.1956(6) -0.0415(6) 0.8926(4) 0.127(2) Uani 1 1 d . . . . .
O6 O 0.6828(4) 0.0884(3) 0.9523(2) 0.0700(9) Uani 1 1 d . . . . .
O7 O 1.2116(4) 0.2297(4) 0.7510(3) 0.0815(11) Uani 1 1 d . . . . .
O8 O 0.8836(4) 0.2559(3) 0.96877(19) 0.0650(8) Uani 1 1 d . . . . .
O9 O 0.6597(3) 0.2810(2) 0.79631(15) 0.0374(5) Uani 1 1 d . . . . .
O10 O 0.8724(3) 0.2570(2) 0.65462(15) 0.0404(5) Uani 1 1 d . . . . .
Ru1 Ru 0.88729(3) 0.27060(2) 0.78087(2) 0.03543(10) Uani 1 1 d . . . . .
Ru2 Ru 0.72504(3) 0.15779(2) 0.70412(2) 0.03640(10) Uani 1 1 d . . . . .
Ru3 Ru 0.94827(3) 0.03206(2) 0.79327(2) 0.04326(11) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C2 C1 C6 120.8(4) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C3 C2 C1 118.7(4) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 121.5(4) . . ?
C2 C3 Br2 119.4(3) . . ?
C4 C3 Br2 119.1(3) . . ?
C5 C4 C3 119.5(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 120.3(4) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 119.2(3) . . ?
C5 C6 N1 119.5(3) . . ?
C1 C6 N1 121.2(3) . . ?
N1 C7 C8 127.9(3) . . ?
N1 C7 H7 116.0 . . ?
C8 C7 H7 116.0 . . ?
C13 C8 C9 118.6(3) . . ?
C13 C8 C7 125.3(3) . . ?
C9 C8 C7 115.7(3) . . ?
C10 C9 C8 121.5(4) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 119.5(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 121.1(4) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
O10 C13 C8 122.8(3) . . ?
O10 C13 C12 118.4(3) . . ?
C8 C13 C12 118.8(3) . . ?
O9 C14 C15 118.5(3) . . ?
O9 C14 C19 123.4(3) . . ?
C15 C14 C19 118.1(3) . . ?
C16 C15 C14 121.6(4) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 120.4(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 119.0(4) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 122.0(4) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C14 C19 C18 118.8(3) . . ?
C14 C19 C20 124.8(3) . . ?
C18 C19 C20 116.4(3) . . ?
N2 C20 C19 128.0(3) . . ?
N2 C20 H20 116.0 . . ?
C19 C20 H20 116.0 . . ?
C22 C21 C26 120.3(3) . . ?
C22 C21 N2 121.4(3) . . ?
C26 C21 N2 118.3(3) . . ?
C21 C22 C23 119.2(4) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 119.5(4) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C25 C24 C23 121.2(4) . . ?
C25 C24 Br1 118.9(3) . . ?
C23 C24 Br1 119.9(3) . . ?
C24 C25 C26 119.5(4) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C21 120.0(4) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
O2 C27 Ru2 179.1(3) . . ?
O1 C28 Ru2 178.6(4) . . ?
O3 C29 Ru3 176.0(5) . . ?
O4 C30 Ru3 178.6(4) . . ?
O5 C31 Ru3 178.1(6) . . ?
O6 C32 Ru3 179.0(4) . . ?
O8 C33 Ru1 179.2(4) . . ?
O7 C34 Ru1 177.2(4) . . ?
C7 N1 C6 115.8(3) . . ?
C7 N1 Ru1 125.3(3) . . ?
C6 N1 Ru1 118.9(2) . . ?
C20 N2 C21 115.8(3) . . ?
C20 N2 Ru2 125.8(2) . . ?
C21 N2 Ru2 118.3(2) . . ?
C14 O9 Ru2 129.5(2) . . ?
C14 O9 Ru1 127.4(2) . . ?
Ru2 O9 Ru1 92.27(9) . . ?
C13 O10 Ru1 129.0(2) . . ?
C13 O10 Ru2 127.9(2) . . ?
Ru1 O10 Ru2 91.70(9) . . ?
C34 Ru1 C33 86.45(17) . . ?
C34 Ru1 O10 99.64(14) . . ?
C33 Ru1 O10 169.67(14) . . ?
C34 Ru1 O9 172.44(14) . . ?
C33 Ru1 O9 97.32(14) . . ?
O10 Ru1 O9 75.70(9) . . ?
C34 Ru1 N1 96.95(16) . . ?
C33 Ru1 N1 101.77(14) . . ?
O10 Ru1 N1 85.86(10) . . ?
O9 Ru1 N1 88.72(10) . . ?
C34 Ru1 Ru3 90.17(14) . . ?
C33 Ru1 Ru3 89.34(12) . . ?
O10 Ru1 Ru3 82.36(7) . . ?
O9 Ru1 Ru3 83.35(6) . . ?
N1 Ru1 Ru3 167.12(8) . . ?
C34 Ru1 Ru2 129.50(13) . . ?
C33 Ru1 Ru2 124.90(13) . . ?
O10 Ru1 Ru2 44.97(7) . . ?
O9 Ru1 Ru2 43.17(6) . . ?
N1 Ru1 Ru2 111.10(8) . . ?
Ru3 Ru1 Ru2 56.450(9) . . ?
C28 Ru2 C27 88.09(18) . . ?
C28 Ru2 O9 172.66(15) . . ?
C27 Ru2 O9 96.20(13) . . ?
C28 Ru2 N2 99.52(15) . . ?
C27 Ru2 N2 96.51(15) . . ?
O9 Ru2 N2 85.95(10) . . ?
C28 Ru2 O10 99.38(16) . . ?
C27 Ru2 O10 168.40(13) . . ?
O9 Ru2 O10 75.49(9) . . ?
N2 Ru2 O10 91.03(11) . . ?
C28 Ru2 Ru3 89.78(13) . . ?
C27 Ru2 Ru3 89.96(13) . . ?
O9 Ru2 Ru3 84.29(6) . . ?
N2 Ru2 Ru3 168.82(8) . . ?
O10 Ru2 Ru3 81.26(6) . . ?
C28 Ru2 Ru1 128.20(14) . . ?
C27 Ru2 Ru1 125.16(11) . . ?
O9 Ru2 Ru1 44.56(6) . . ?
N2 Ru2 Ru1 112.50(8) . . ?
O10 Ru2 Ru1 43.33(6) . . ?
Ru3 Ru2 Ru1 56.423(10) . . ?
C29 Ru3 C30 93.8(2) . . ?
C29 Ru3 C31 98.8(2) . . ?
C30 Ru3 C31 94.2(2) . . ?
C29 Ru3 C32 96.5(2) . . ?
C30 Ru3 C32 164.25(17) . . ?
C31 Ru3 C32 95.9(2) . . ?
C29 Ru3 Ru1 163.33(15) . . ?
C30 Ru3 Ru1 82.77(13) . . ?
C31 Ru3 Ru1 97.72(18) . . ?
C32 Ru3 Ru1 83.94(12) . . ?
C29 Ru3 Ru2 96.34(15) . . ?
C30 Ru3 Ru2 84.14(12) . . ?
C31 Ru3 Ru2 164.85(18) . . ?
C32 Ru3 Ru2 82.92(12) . . ?
Ru1 Ru3 Ru2 67.127(10) . . ?
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
Br1 C24 1.899(3) . ?
Br2 C3 1.899(4) . ?
C1 C2 1.392(6) . ?
C1 C6 1.387(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.376(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(7) . ?
C4 C5 1.381(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.392(5) . ?
C5 H5 0.9300 . ?
C6 N1 1.439(4) . ?
C7 N1 1.286(5) . ?
C7 C8 1.457(5) . ?
C7 H7 0.9300 . ?
C8 C13 1.399(5) . ?
C8 C9 1.412(5) . ?
C9 C10 1.370(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.400(5) . ?
C12 H12 0.9300 . ?
C13 O10 1.338(4) . ?
C14 O9 1.326(4) . ?
C14 C15 1.402(5) . ?
C14 C19 1.412(5) . ?
C15 C16 1.379(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.389(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.369(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.411(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.447(5) . ?
C20 N2 1.286(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.365(6) . ?
C21 C26 1.382(5) . ?
C21 N2 1.440(4) . ?
C22 C23 1.404(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.362(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.361(6) . ?
C25 C26 1.379(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 O2 1.135(5) . ?
C27 Ru2 1.846(4) . ?
C28 O1 1.133(5) . ?
C28 Ru2 1.847(4) . ?
C29 O3 1.128(6) . ?
C29 Ru3 1.928(5) . ?
C30 O4 1.131(5) . ?
C30 Ru3 1.939(5) . ?
C31 O5 1.115(6) . ?
C31 Ru3 1.939(5) . ?
C32 O6 1.123(5) . ?
C32 Ru3 1.958(5) . ?
C33 O8 1.140(5) . ?
C33 Ru1 1.845(4) . ?
C34 O7 1.140(5) . ?
C34 Ru1 1.834(4) . ?
N1 Ru1 2.189(3) . ?
N2 Ru2 2.171(3) . ?
O9 Ru2 2.106(2) . ?
O9 Ru1 2.159(2) . ?
O10 Ru1 2.111(2) . ?
O10 Ru2 2.174(3) . ?
Ru1 Ru3 2.7806(4) . ?
Ru2 Ru3 2.7815(4) . ?
