#------------------------------------------------------------------------------
#$Date: 2018-05-02 15:32:12 +0300 (Wed, 02 May 2018) $
#$Revision: 207621 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/62/7046214.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_7046214
loop_
_publ_author_name
'Arikawa, Yasuhiro'
'Hiura, Junko'
'Tsuchii, Chika'
'Kodama, Mika'
'Matsumoto, Naoki'
'Umakoshi, Keisuke'
_publ_section_title
;
 Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear
 ruthenium complex including photo-induced transformation
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C8DT01208C
_journal_year                    2018
_chemical_formula_moiety         'C23 H26 B2 N14 O3 Ru2, C2 H5 O0.5,H O0.5'
_chemical_formula_sum            'C25 H32 B2 N14 O4 Ru2'
_chemical_formula_weight         816.38
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-04-23 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   32.9353(19)
_cell_length_b                   16.1293(11)
_cell_length_c                   12.7402(8)
_cell_measurement_reflns_used    8874
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.05
_cell_volume                     6767.9(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            46569
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.241
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         3.053
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.947
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            dark-blue
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3280.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ether'
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.29
_refine_diff_density_min         -1.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.419
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     462
_refine_ls_number_reflns         7998
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.1053
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0036P)²+42.2853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1617
_refine_ls_wR_factor_ref         0.1627
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7790
_reflns_number_total             7998
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c8dt01208c2.cif
_cod_data_source_block           2
_cod_database_code               7046214
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2+X,1/2-Y,1/2-Z
3 -X,1/2+Y,-Z
4 1/2-X,-Y,1/2+Z
5 -X,-Y,-Z
6 -1/2-X,-1/2+Y,-1/2+Z
7 +X,-1/2-Y,+Z
8 -1/2+X,+Y,-1/2-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 0.23624(2) 0.14975(3) 0.61983(4) 0.03110(14) Uani 1 1 d . . .
Ru2 Ru 0.05868(3) 0.250000 0.23077(8) 0.0619(3) Uani 1 2 d S T P
Ru3 Ru -0.02411(3) 0.250000 0.36529(9) 0.0824(5) Uani 1 2 d S T P
O1 O 0.2543(2) 0.250000 0.6810(5) 0.0356(15) Uani 1 2 d S T P
O2 O 0.26003(16) 0.1804(3) 0.4731(3) 0.0404(12) Uani 1 1 d . . .
O3 O 0.0022(2) 0.250000 0.2355(7) 0.104(5) Uani 1 2 d S T P
O4 O 0.0681(5) 0.3562(10) 0.3367(15) 0.060(4) Uani 0.5 1 d . . P
O5 O 0.0106(6) 0.3628(13) 0.4299(15) 0.079(5) Uani 0.5 1 d . . P
O6 O -0.0476(8) 0.1924(15) -0.0740(19) 0.157(9) Uiso 0.5 1 d . . P
O7 O -0.2213(3) 0.250000 0.6154(9) 0.092(3) Uiso 1 2 d S . P
N1 N 0.21709(19) 0.0397(4) 0.5501(4) 0.0398(14) Uani 1 1 d . . .
N2 N 0.22785(19) -0.0349(3) 0.5949(5) 0.0401(14) Uani 1 1 d . . .
N3 N 0.21533(18) 0.0985(3) 0.7555(4) 0.0352(13) Uani 1 1 d . . .
N4 N 0.22537(18) 0.0181(3) 0.7781(4) 0.0359(13) Uani 1 1 d . . .
N5 N 0.29133(18) 0.0914(4) 0.6507(5) 0.0405(14) Uani 1 1 d . . .
N6 N 0.29158(18) 0.0111(4) 0.6825(5) 0.0411(14) Uani 1 1 d . . .
N7 N 0.18223(17) 0.2077(3) 0.5924(4) 0.0342(12) Uani 1 1 d . . .
N8 N 0.1220(3) 0.250000 0.2201(8) 0.057(3) Uani 1 2 d S T P
N9 N 0.1395(3) 0.250000 0.1230(9) 0.061(3) Uani 1 2 d S T P
N10 N 0.0605(2) 0.1607(7) 0.1155(7) 0.085(3) Uani 1 1 d . . .
N11 N 0.0853(2) 0.1722(7) 0.0312(7) 0.096(3) Uani 1 1 d . . .
N12 N -0.0571(3) 0.250000 0.5063(9) 0.096(5) Uani 1 2 d S T P
N13 N -0.0983(3) 0.250000 0.5021(8) 0.079(4) Uani 1 2 d S T P
N14 N -0.0650(2) 0.1606(6) 0.3185(6) 0.072(2) Uani 1 1 d . . .
N15 N -0.1053(2) 0.1718(6) 0.3360(6) 0.068(2) Uani 1 1 d . . .
N16 N 0.0535(6) 0.3242(12) 0.3505(17) 0.056(5) Uani 0.5 1 d . . P
N17 N 0.0184(5) 0.3189(13) 0.4097(14) 0.056(5) Uani 0.5 1 d . . P
C1 C 0.1962(3) 0.0220(5) 0.4635(6) 0.0494(19) Uani 1 1 d . . .
H1 H 0.185284 0.061118 0.417956 0.059 Uiso 1 1 calc R U .
C2 C 0.1931(3) -0.0629(5) 0.4511(7) 0.061(2) Uani 1 1 d . . .
H2 H 0.179919 -0.091339 0.397427 0.073 Uiso 1 1 calc R U .
C3 C 0.2135(3) -0.0962(5) 0.5350(7) 0.053(2) Uani 1 1 d . . .
H3 H 0.216794 -0.152557 0.548116 0.064 Uiso 1 1 calc R U .
C4 C 0.1921(2) 0.1245(5) 0.8334(6) 0.0438(17) Uani 1 1 d . . .
H4 H 0.180725 0.177139 0.837639 0.053 Uiso 1 1 calc R U .
C5 C 0.1870(2) 0.0626(5) 0.9080(6) 0.050(2) Uani 1 1 d . . .
H5 H 0.172188 0.065283 0.970071 0.060 Uiso 1 1 calc R U .
C6 C 0.2084(2) -0.0027(5) 0.8697(6) 0.0436(17) Uani 1 1 d . . .
H6 H 0.210979 -0.053980 0.902321 0.052 Uiso 1 1 calc R U .
C7 C 0.3298(2) 0.1150(5) 0.6439(7) 0.055(2) Uani 1 1 d . . .
H7 H 0.338457 0.167806 0.624686 0.066 Uiso 1 1 calc R U .
C8 C 0.3552(3) 0.0498(6) 0.6695(8) 0.063(2) Uani 1 1 d . . .
H8 H 0.383469 0.049755 0.670026 0.076 Uiso 1 1 calc R U .
C9 C 0.3301(3) -0.0145(5) 0.6939(6) 0.052(2) Uani 1 1 d . . .
H9 H 0.338194 -0.067129 0.714784 0.062 Uiso 1 1 calc R U .
C10 C 0.2699(3) 0.250000 0.4375(7) 0.0314(19) Uani 1 2 d S T P
C11 C 0.2971(4) 0.250000 0.3428(8) 0.048(3) Uani 1 2 d S T P
H11A H 0.302649 0.193887 0.322250 0.058 Uiso 0.5 1 calc R U P
H11B H 0.283847 0.278506 0.286168 0.058 Uiso 0.5 1 calc R U P
H11C H 0.322064 0.277607 0.359508 0.058 Uiso 0.5 1 calc R U P
C12 C 0.1435(2) 0.1820(5) 0.5860(7) 0.052(2) Uani 1 1 d . . .
H12 H 0.134989 0.127035 0.585705 0.062 Uiso 1 1 calc R U .
C13 C 0.1183(3) 0.250000 0.5801(11) 0.057(3) Uani 1 2 d S T P
H13 H 0.090184 0.250000 0.573428 0.068 Uiso 1 2 calc R U P
C14 C 0.1527(3) 0.250000 0.2901(10) 0.051(3) Uani 1 2 d S T P
H14 H 0.149691 0.250000 0.362654 0.061 Uiso 1 2 calc R U P
C15 C 0.1891(4) 0.250000 0.2376(13) 0.065(4) Uani 1 2 d S T P
H15 H 0.214852 0.250000 0.267635 0.079 Uiso 1 2 calc R U P
C16 C 0.1803(4) 0.250000 0.1337(13) 0.064(4) Uani 1 2 d S T P
H16 H 0.199104 0.250000 0.079260 0.077 Uiso 1 2 calc R U P
C17 C 0.0427(3) 0.0891(10) 0.1018(11) 0.122(6) Uani 1 1 d . . .
H17 H 0.024283 0.065693 0.148404 0.147 Uiso 1 1 calc R U .
C18 C 0.0551(4) 0.0528(13) 0.0085(14) 0.165(9) Uani 1 1 d . . .
H18 H 0.046761 0.002254 -0.019412 0.197 Uiso 1 1 calc R U .
C19 C 0.0820(4) 0.1074(12) -0.0331(11) 0.139(7) Uani 1 1 d . . .
H19 H 0.095954 0.100671 -0.096028 0.167 Uiso 1 1 calc R U .
C20 C -0.0479(5) 0.250000 0.6077(12) 0.142(10) Uani 1 2 d S T P
H20 H -0.021656 0.250000 0.634578 0.171 Uiso 1 2 calc R U P
C21 C -0.0829(6) 0.250000 0.6680(13) 0.147(11) Uani 1 2 d S T P
H21 H -0.084688 0.250000 0.740809 0.177 Uiso 1 2 calc R U P
C22 C -0.1137(5) 0.250000 0.5992(12) 0.093(6) Uani 1 2 d S T P
H22 H -0.141144 0.250000 0.616171 0.111 Uiso 1 2 calc R U P
C23 C -0.0610(4) 0.0869(9) 0.2753(10) 0.096(4) Uani 1 1 d . . .
H23 H -0.036379 0.063690 0.254768 0.116 Uiso 1 1 calc R U .
C24 C -0.0983(4) 0.0490(8) 0.2646(10) 0.101(4) Uani 1 1 d . . .
H24 H -0.103706 -0.003152 0.236622 0.121 Uiso 1 1 calc R U .
C25 C -0.1256(3) 0.1045(8) 0.3039(9) 0.087(3) Uani 1 1 d . . .
H25 H -0.153506 0.096902 0.307781 0.105 Uiso 1 1 calc R U .
C26 C 0.0464(7) 0.3901(14) 0.4069(17) 0.068(5) Uiso 0.5 1 d . . P
C27 C 0.0606(8) 0.4679(17) 0.457(2) 0.085(7) Uiso 0.5 1 d . . P
C28 C 0.0747(7) 0.3918(14) 0.3811(19) 0.065(6) Uiso 0.5 1 d . . P
C29 C 0.0557(7) 0.4311(15) 0.4723(18) 0.065(6) Uiso 0.5 1 d . . P
C30 C 0.0188(8) 0.3817(17) 0.479(2) 0.077(8) Uiso 0.5 1 d . . P
C31 C -0.0920(10) 0.250000 0.048(2) 0.180(12) Uiso 1 2 d S . P
C32 C -0.0524(11) 0.250000 0.009(3) 0.190(13) Uiso 1 2 d S . P
C33 C -0.0077(11) 0.205(2) -0.126(3) 0.152(13) Uiso 0.5 1 d . . P
C34 C -0.0049(13) 0.126(3) -0.197(3) 0.193(17) Uiso 0.5 1 d . . P
B1 B 0.2509(3) -0.0332(5) 0.7006(7) 0.0398(19) Uani 1 1 d . . .
H1A H 0.255215 -0.089507 0.727244 0.048 Uiso 1 1 calc R U .
B2 B 0.1124(5) 0.250000 0.0278(14) 0.099(8) Uani 1 2 d S T P
H2A H 0.128793 0.250001 -0.036271 0.119 Uiso 1 2 calc R U P
B3 B -0.1191(5) 0.250000 0.3957(14) 0.081(6) Uani 1 2 d S T P
H3A H -0.148631 0.249999 0.404362 0.097 Uiso 1 2 calc R U P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(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
O1 Ru1 N3 96.0(2) . .
O1 Ru1 N7 87.3(2) . .
N3 Ru1 N7 92.1(2) . .
O1 Ru1 N5 92.0(2) . .
N3 Ru1 N5 87.2(2) . .
N7 Ru1 N5 178.9(2) . .
O1 Ru1 N1 178.9(3) . .
N3 Ru1 N1 85.0(2) . .
N7 Ru1 N1 93.1(2) . .
N5 Ru1 N1 87.6(2) . .
O1 Ru1 O2 92.8(2) . .
N3 Ru1 O2 169.7(2) . .
N7 Ru1 O2 93.8(2) . .
N5 Ru1 O2 87.1(2) . .
N1 Ru1 O2 86.2(2) . .
O3 Ru2 N16 83.5(7) . 7_565
O3 Ru2 N16 83.5(7) . .
N16 Ru2 N16 75.9(11) 7_565 .
O3 Ru2 N10 93.0(3) . 7_565
N16 Ru2 N10 172.9(6) 7_565 7_565
N16 Ru2 N10 97.5(6) . 7_565
O3 Ru2 N10 93.0(3) . .
N16 Ru2 N10 97.5(6) 7_565 .
N16 Ru2 N10 172.9(6) . .
N10 Ru2 N10 88.8(6) 7_565 .
O3 Ru2 N8 178.1(4) . .
N16 Ru2 N8 97.9(7) 7_565 .
N16 Ru2 N8 97.9(7) . .
N10 Ru2 N8 85.7(3) 7_565 .
N10 Ru2 N8 85.7(3) . .
O3 Ru2 O4 97.0(5) . .
N16 Ru2 O4 90.6(6) 7_565 .
N16 Ru2 O4 18.9(6) . .
N10 Ru2 O4 83.6(5) 7_565 .
N10 Ru2 O4 167.8(5) . .
N8 Ru2 O4 84.2(5) . .
O3 Ru2 O4 97.0(5) . 7_565
N16 Ru2 O4 18.9(6) 7_565 7_565
N16 Ru2 O4 90.6(6) . 7_565
N10 Ru2 O4 167.8(5) 7_565 7_565
N10 Ru2 O4 83.6(5) . 7_565
N8 Ru2 O4 84.2(5) . 7_565
O4 Ru2 O4 102.1(9) . 7_565
O3 Ru3 N17 85.5(6) . 7_565
O3 Ru3 N17 85.5(6) . .
N17 Ru3 N17 72.7(13) 7_565 .
O3 Ru3 N14 92.7(3) . .
N17 Ru3 N14 99.2(7) 7_565 .
N17 Ru3 N14 171.8(7) . .
O3 Ru3 N14 92.7(3) . 7_565
N17 Ru3 N14 171.8(7) 7_565 7_565
N17 Ru3 N14 99.2(7) . 7_565
N14 Ru3 N14 88.8(5) . 7_565
O3 Ru3 N12 176.5(4) . .
N17 Ru3 N12 97.3(6) 7_565 .
N17 Ru3 N12 97.3(6) . .
N14 Ru3 N12 84.8(3) . .
N14 Ru3 N12 84.8(3) 7_565 .
O3 Ru3 O5 95.0(5) . 7_565
N17 Ru3 O5 18.6(7) 7_565 7_565
N17 Ru3 O5 89.4(7) . 7_565
N14 Ru3 O5 82.8(5) . 7_565
N14 Ru3 O5 168.9(5) 7_565 7_565
N12 Ru3 O5 87.2(5) . 7_565
O3 Ru3 O5 95.0(5) . .
N17 Ru3 O5 89.4(7) 7_565 .
N17 Ru3 O5 18.6(7) . .
N14 Ru3 O5 168.9(5) . .
N14 Ru3 O5 82.8(5) 7_565 .
N12 Ru3 O5 87.2(5) . .
O5 Ru3 O5 104.5(10) 7_565 .
Ru1 O1 Ru1 117.6(3) . 7_565
C10 O2 Ru1 129.3(5) . .
Ru2 O3 Ru3 119.5(5) . .
N16 O4 C28 120(4) . .
N16 O4 C26 76(3) . .
C28 O4 C26 51(2) . .
N16 O4 Ru2 60(3) . .
C28 O4 Ru2 171(2) . .
C26 O4 Ru2 133.4(17) . .
C30 O5 N17 121(5) . .
C30 O5 C26 74(3) . .
N17 O5 C26 86(3) . .
C30 O5 N16 109(3) . .
N17 O5 N16 44(2) . .
C26 O5 N16 45.0(13) . .
C30 O5 C29 42(3) . .
N17 O5 C29 111(3) . .
C26 O5 C29 33.3(12) . .
N16 O5 C29 75.8(12) . .
C30 O5 Ru3 143(3) . .
N17 O5 Ru3 49(2) . .
C26 O5 Ru3 130.0(16) . .
N16 O5 Ru3 85.3(10) . .
C29 O5 Ru3 159.3(12) . .
C32 O6 C33 110(3) . .
C1 N1 N2 106.8(6) . .
C1 N1 Ru1 133.8(5) . .
N2 N1 Ru1 119.3(4) . .
C3 N2 N1 108.6(6) . .
C3 N2 B1 133.2(6) . .
N1 N2 B1 118.1(5) . .
C4 N3 N4 106.4(5) . .
C4 N3 Ru1 134.8(5) . .
N4 N3 Ru1 118.8(4) . .
C6 N4 N3 108.7(6) . .
C6 N4 B1 130.8(6) . .
N3 N4 B1 120.5(5) . .
C7 N5 N6 106.8(6) . .
C7 N5 Ru1 133.6(5) . .
N6 N5 Ru1 119.6(5) . .
C9 N6 N5 109.3(6) . .
C9 N6 B1 131.8(6) . .
N5 N6 B1 118.9(6) . .
C12 N7 N7 107.9(4) . 7_565
C12 N7 Ru1 134.2(5) . .
N7 N7 Ru1 117.27(14) 7_565 .
C14 N8 N9 106.4(9) . .
C14 N8 Ru2 134.9(9) . .
N9 N8 Ru2 118.7(8) . .
C16 N9 N8 109.1(11) . .
C16 N9 B2 132.2(13) . .
N8 N9 B2 118.6(10) . .
C17 N10 N11 106.5(10) . .
C17 N10 Ru2 134.5(8) . .
N11 N10 Ru2 119.0(8) . .
C19 N11 N10 109.2(11) . .
C19 N11 B2 132.0(11) . .
N10 N11 B2 118.7(10) . .
C20 N12 N13 105.4(12) . .
C20 N12 Ru3 135.7(11) . .
N13 N12 Ru3 118.8(8) . .
C22 N13 N12 110.0(12) . .
C22 N13 B3 131.0(12) . .
N12 N13 B3 119.1(10) . .
C23 N14 N15 106.7(9) . .
C23 N14 Ru3 133.4(8) . .
N15 N14 Ru3 119.9(7) . .
C25 N15 N14 109.2(9) . .
C25 N15 B3 131.9(9) . .
N14 N15 B3 118.5(10) . .
O4 N16 C26 71(3) . .
O4 N16 C28 32(3) . .
C26 N16 C28 43.6(13) . .
O4 N16 N17 137(4) . .
C26 N16 N17 66.4(16) . .
C28 N16 N17 108.9(19) . .
O4 N16 O5 114(3) . .
C26 N16 O5 44.5(13) . .
C28 N16 O5 88.0(16) . .
N17 N16 O5 23.4(11) . .
O4 N16 Ru2 101(3) . .
C26 N16 Ru2 161.6(18) . .
C28 N16 Ru2 132.7(17) . .
N17 N16 Ru2 117.5(14) . .
O5 N16 Ru2 134.7(13) . .
O5 N17 C30 29(2) . .
O5 N17 N16 113(3) . .
C30 N17 N16 108(2) . .
O5 N17 C26 61(2) . .
C30 N17 C26 54.7(16) . .
N16 N17 C26 54.2(13) . .
O5 N17 Ru3 113(3) . .
C30 N17 Ru3 130.8(17) . .
N16 N17 Ru3 119.8(14) . .
C26 N17 Ru3 157.2(16) . .
N1 C1 C2 110.2(8) . .
N1 C1 H1 124.9 . .
C2 C1 H1 124.9 . .
C3 C2 C1 105.2(8) . .
C3 C2 H2 127.4 . .
C1 C2 H2 127.4 . .
N2 C3 C2 109.2(7) . .
N2 C3 H3 125.4 . .
C2 C3 H3 125.4 . .
N3 C4 C5 110.9(7) . .
N3 C4 H4 124.6 . .
C5 C4 H4 124.6 . .
C6 C5 C4 104.4(7) . .
C6 C5 H5 127.8 . .
C4 C5 H5 127.8 . .
N4 C6 C5 109.6(7) . .
N4 C6 H6 125.2 . .
C5 C6 H6 125.2 . .
N5 C7 C8 110.1(8) . .
N5 C7 H7 125.0 . .
C8 C7 H7 125.0 . .
C9 C8 C7 105.3(8) . .
C9 C8 H8 127.3 . .
C7 C8 H8 127.3 . .
N6 C9 C8 108.5(7) . .
N6 C9 H9 125.7 . .
C8 C9 H9 125.7 . .
O2 C10 O2 127.1(8) 7_565 .
O2 C10 C11 116.4(4) 7_565 .
O2 C10 C11 116.4(4) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C11 H11A 109.473(8) . 7_565
H11A C11 H11A 141.0 . 7_565
H11B C11 H11A 55.3 . 7_565
H11C C11 H11A 57.2 . 7_565
C10 C11 H11B 109.5(5) . 7_565
H11A C11 H11B 55.3 . 7_565
H11B C11 H11B 57.2 . 7_565
H11C C11 H11B 141.0 . 7_565
H11A C11 H11B 109.5 7_565 7_565
C10 C11 H11C 109.5(5) . 7_565
H11A C11 H11C 57.2 . 7_565
H11B C11 H11C 141.0 . 7_565
H11C C11 H11C 55.3 . 7_565
H11A C11 H11C 109.5 7_565 7_565
H11B C11 H11C 109.5 7_565 7_565
N7 C12 C13 109.3(7) . .
N7 C12 H12 125.4 . .
C13 C12 H12 125.4 . .
C12 C13 C12 105.6(10) . 7_565
C12 C13 H13 127.2 . .
C12 C13 H13 127.2 7_565 .
N8 C14 C15 109.5(12) . .
N8 C14 H14 125.3 . .
C15 C14 H14 125.3 . .
C16 C15 C14 106.8(12) . .
C16 C15 H15 126.6 . .
C14 C15 H15 126.6 . .
N9 C16 C15 108.2(12) . .
N9 C16 H16 125.9 . .
C15 C16 H16 125.9 . .
N10 C17 C18 110.9(13) . .
N10 C17 H17 124.5 . .
C18 C17 H17 124.5 . .
C19 C18 C17 104.5(14) . .
C19 C18 H18 127.7 . .
C17 C18 H18 127.7 . .
N11 C19 C18 108.8(12) . .
N11 C19 H19 125.6 . .
C18 C19 H19 125.6 . .
N12 C20 C21 110.5(15) . .
N12 C20 H20 124.7 . .
C21 C20 H20 124.7 . .
C22 C21 C20 105.5(15) . .
C22 C21 H21 127.3 . .
C20 C21 H21 127.3 . .
N13 C22 C21 108.6(14) . .
N13 C22 H22 125.7 . .
C21 C22 H22 125.7 . .
N14 C23 C24 110.6(11) . .
N14 C23 H23 124.7 . .
C24 C23 H23 124.7 . .
C25 C24 C23 105.0(12) . .
C25 C24 H24 127.5 . .
C23 C24 H24 127.5 . .
N15 C25 C24 108.5(10) . .
N15 C25 H25 125.8 . .
C24 C25 H25 125.8 . .
C28 C26 C29 88(3) . .
C28 C26 O4 41.0(16) . .
C29 C26 O4 129(3) . .
C28 C26 O5 161(3) . .
C29 C26 O5 107(2) . .
O4 C26 O5 122(2) . .
C28 C26 C30 154(3) . .
C29 C26 C30 74(2) . .
O4 C26 C30 148(3) . .
O5 C26 C30 33.7(13) . .
C28 C26 N16 71(2) . .
C29 C26 N16 148(3) . .
O4 C26 N16 32.8(10) . .
O5 C26 N16 90.6(19) . .
C30 C26 N16 116(2) . .
C28 C26 N17 128(3) . .
C29 C26 N17 128(2) . .
O4 C26 N17 92.0(18) . .
O5 C26 N17 32.6(10) . .
C30 C26 N17 57.6(16) . .
N16 C26 N17 59.4(14) . .
C28 C26 C27 80(2) . .
C29 C26 C27 23.5(17) . .
O4 C26 C27 119(2) . .
O5 C26 C27 119(2) . .
C30 C26 C27 90(2) . .
N16 C26 C27 150(2) . .
N17 C26 C27 148(2) . .
C29 C27 C26 43(3) . .
C29 C27 C28 64(4) . .
C26 C27 C28 36.5(12) . .
C29 C27 C30 30(3) . .
C26 C27 C30 41.2(13) . .
C28 C27 C30 75.6(16) . .
O4 C28 C26 88(3) . .
O4 C28 N16 27.9(19) . .
C26 C28 N16 66(2) . .
O4 C28 C29 137(3) . .
C26 C28 C29 49(2) . .
N16 C28 C29 111(2) . .
O4 C28 C27 148(3) . .
C26 C28 C27 64(2) . .
N16 C28 C27 129(2) . .
C29 C28 C27 23.2(12) . .
C27 C29 C26 113(4) . .
C27 C29 C30 137(4) . .
C26 C29 C30 59.2(19) . .
C27 C29 C28 93(4) . .
C26 C29 C28 42.4(16) . .
C30 C29 C28 100(2) . .
C27 C29 O5 130(4) . .
C26 C29 O5 40.0(16) . .
C30 C29 O5 20.1(12) . .
C28 C29 O5 81.9(15) . .
O5 C30 C26 73(3) . .
O5 C30 N17 30(3) . .
C26 C30 N17 67.6(19) . .
O5 C30 C29 118(4) . .
C26 C30 C29 46.9(15) . .
N17 C30 C29 112(2) . .
O5 C30 C27 115(3) . .
C26 C30 C27 48.7(16) . .
N17 C30 C27 116(2) . .
C29 C30 C27 12.8(13) . .
C31 C32 O6 112(3) . .
C31 C32 O6 112(3) . 7_565
O6 C32 O6 82(3) . 7_565
C33 C33 O6 97.9(17) 7_565 .
C33 C33 C34 144(2) 7_565 .
O6 C33 C34 101(3) . .
N6 B1 N4 108.8(6) . .
N6 B1 N2 107.8(6) . .
N4 B1 N2 107.5(6) . .
N6 B1 H1A 110.9 . .
N4 B1 H1A 110.9 . .
N2 B1 H1A 110.9 . .
N9 B2 N11 108.8(9) . .
N9 B2 N11 108.8(9) . 7_565
N11 B2 N11 109.1(13) . 7_565
N9 B2 H2A 110.1 . .
N11 B2 H2A 110.1 . .
N11 B2 H2A 110.1 7_565 .
N13 B3 N15 108.0(8) . .
N13 B3 N15 108.0(8) . 7_565
N15 B3 N15 109.8(12) . 7_565
N13 B3 H3A 110.3 . .
N15 B3 H3A 110.3 . .
N15 B3 H3A 110.3 7_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O1 1.891(3) .
Ru1 N3 2.036(5) .
Ru1 N7 2.040(6) .
Ru1 N5 2.082(6) .
Ru1 N1 2.083(6) .
Ru1 O2 2.086(4) .
Ru2 O3 1.862(8) .
Ru2 N16 1.95(2) 7_565
Ru2 N16 1.95(2) .
Ru2 N10 2.058(9) 7_565
Ru2 N10 2.059(9) .
Ru2 N8 2.090(10) .
Ru2 O4 2.203(18) .
Ru2 O4 2.203(18) 7_565
Ru3 O3 1.867(8) .
Ru3 N17 1.874(18) 7_565
Ru3 N17 1.874(18) .
Ru3 N14 2.061(9) .
Ru3 N14 2.061(9) 7_565
Ru3 N12 2.099(11) .
Ru3 O5 2.30(2) 7_565
Ru3 O5 2.30(2) .
O2 C10 1.254(6) .
O4 N16 0.727(18) .
O4 C28 0.83(2) .
O4 C26 1.27(3) .
O5 C30 0.75(3) .
O5 N17 0.80(2) .
O5 C26 1.29(3) .
O5 N16 1.85(3) .
O5 C29 1.93(3) .
O6 C32 1.42(3) .
O6 C33 1.48(4) .
N1 C1 1.331(9) .
N1 N2 1.378(8) .
N2 C3 1.335(9) .
N2 B1 1.546(10) .
N3 C4 1.321(9) .
N3 N4 1.368(7) .
N4 C6 1.337(8) .
N4 B1 1.538(10) .
N5 C7 1.327(10) .
N5 N6 1.357(8) .
N6 C9 1.340(9) .
N6 B1 1.536(10) .
N7 C12 1.344(9) .
N7 N7 1.365(10) 7_565
N8 C14 1.348(14) .
N8 N9 1.365(14) .
N9 C16 1.351(15) .
N9 B2 1.51(2) .
N10 C17 1.305(16) .
N10 N11 1.362(11) .
N11 C19 1.332(15) .
N11 B2 1.540(13) .
N12 C20 1.326(18) .
N12 N13 1.359(14) .
N13 C22 1.337(16) .
N13 B3 1.52(2) .
N14 C23 1.316(14) .
N14 N15 1.358(9) .
N15 C25 1.338(13) .
N15 B3 1.541(12) .
N16 C26 1.31(3) .
N16 C28 1.35(3) .
N16 N17 1.39(3) .
N17 C30 1.35(3) .
N17 C26 1.48(3) .
C1 C2 1.382(11) .
C1 H1 0.9300 .
C2 C3 1.373(12) .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 C5 1.388(10) .
C4 H4 0.9300 .
C5 C6 1.359(11) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.384(11) .
C7 H7 0.9300 .
C8 C9 1.363(12) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 C11 1.502(13) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C11 H11A 0.9600 7_565
C11 H11B 0.9600 7_565
C11 H11C 0.9600 7_565
C12 C13 1.376(10) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.372(17) .
C14 H14 0.9300 .
C15 C16 1.36(2) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.387(17) .
C17 H17 0.9300 .
C18 C19 1.36(2) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 C21 1.39(2) .
C20 H20 0.9300 .
C21 C22 1.34(2) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.381(16) .
C23 H23 0.9300 .
C24 C25 1.363(15) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C28 0.99(3) .
C26 C29 1.11(3) .
C26 C30 1.30(3) .
C26 C27 1.49(3) .
C27 C29 0.64(3) .
C27 C28 1.63(3) .
C27 C30 1.98(4) .
C28 C29 1.46(3) .
C29 C30 1.46(3) .
C31 C32 1.40(4) .
C33 C33 1.45(7) 7_565
C33 C34 1.57(5) .
B1 H1A 0.9800 .
B2 H2A 0.9800 .
B3 H3A 0.9800 .
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_4
N3 Ru1 O1 Ru1 -128.0(3) . 7_565
N7 Ru1 O1 Ru1 -36.2(4) . 7_565
N5 Ru1 O1 Ru1 144.7(4) . 7_565
O2 Ru1 O1 Ru1 57.5(4) . 7_565
N16 Ru2 O3 Ru3 38.2(6) 7_565 .
N16 Ru2 O3 Ru3 -38.2(6) . .
N10 Ru2 O3 Ru3 -135.5(3) 7_565 .
N10 Ru2 O3 Ru3 135.5(3) . .
O4 Ru2 O3 Ru3 -51.6(4) . .
O4 Ru2 O3 Ru3 51.6(4) 7_565 .
N17 Ru3 O3 Ru2 -36.5(6) 7_565 .
N17 Ru3 O3 Ru2 36.5(6) . .
N14 Ru3 O3 Ru2 -135.5(2) . .
N14 Ru3 O3 Ru2 135.5(2) 7_565 .
O5 Ru3 O3 Ru2 -52.5(5) 7_565 .
O5 Ru3 O3 Ru2 52.5(5) . .
C1 N1 N2 C3 0.1(8) . .
Ru1 N1 N2 C3 -177.9(5) . .
C1 N1 N2 B1 -177.1(6) . .
Ru1 N1 N2 B1 4.9(8) . .
C4 N3 N4 C6 -0.7(8) . .
Ru1 N3 N4 C6 -179.8(5) . .
C4 N3 N4 B1 177.2(6) . .
Ru1 N3 N4 B1 -1.9(8) . .
C7 N5 N6 C9 -0.7(9) . .
Ru1 N5 N6 C9 177.7(5) . .
C7 N5 N6 B1 178.3(7) . .
Ru1 N5 N6 B1 -3.2(8) . .
C14 N8 N9 C16 0.000(1) . .
Ru2 N8 N9 C16 180.000(0) . .
C14 N8 N9 B2 180.000(1) . .
Ru2 N8 N9 B2 0.000(1) . .
C17 N10 N11 C19 0.3(15) . .
Ru2 N10 N11 C19 179.6(9) . .
C17 N10 N11 B2 -176.7(12) . .
Ru2 N10 N11 B2 2.6(14) . .
C20 N12 N13 C22 0.000(2) . .
Ru3 N12 N13 C22 180.000(2) . .
C20 N12 N13 B3 180.000(2) . .
Ru3 N12 N13 B3 0.000(2) . .
C23 N14 N15 C25 0.4(12) . .
Ru3 N14 N15 C25 -177.0(7) . .
C23 N14 N15 B3 174.5(10) . .
Ru3 N14 N15 B3 -2.9(12) . .
C28 O4 N16 C26 28(3) . .
Ru2 O4 N16 C26 -162.9(17) . .
C26 O4 N16 C28 -28(3) . .
Ru2 O4 N16 C28 169(3) . .
C28 O4 N16 N17 38(7) . .
C26 O4 N16 N17 10(4) . .
Ru2 O4 N16 N17 -153(5) . .
C28 O4 N16 O5 41(5) . .
C26 O4 N16 O5 13(2) . .
Ru2 O4 N16 O5 -150(3) . .
C28 O4 N16 Ru2 -169(3) . .
C26 O4 N16 Ru2 162.9(17) . .
C30 O5 N16 O4 -59(5) . .
N17 O5 N16 O4 -174(5) . .
C26 O5 N16 O4 -18(3) . .
C29 O5 N16 O4 -32(3) . .
Ru3 O5 N16 O4 156(3) . .
C30 O5 N16 C26 -41(3) . .
N17 O5 N16 C26 -157(4) . .
C29 O5 N16 C26 -14.8(16) . .
Ru3 O5 N16 C26 173.8(19) . .
C30 O5 N16 C28 -38(4) . .
N17 O5 N16 C28 -154(3) . .
C26 O5 N16 C28 2.9(19) . .
C29 O5 N16 C28 -11.9(15) . .
Ru3 O5 N16 C28 176.8(14) . .
C30 O5 N16 N17 116(5) . .
C26 O5 N16 N17 157(4) . .
C29 O5 N16 N17 142(3) . .
Ru3 O5 N16 N17 -29(3) . .
C30 O5 N16 Ru2 165(3) . .
N17 O5 N16 Ru2 49(3) . .
C26 O5 N16 Ru2 -154(2) . .
C29 O5 N16 Ru2 -168.6(17) . .
Ru3 O5 N16 Ru2 20.0(17) . .
C26 O5 N17 C30 69(4) . .
N16 O5 N17 C30 85(5) . .
C29 O5 N17 C30 45(4) . .
Ru3 O5 N17 C30 -136(4) . .
C30 O5 N17 N16 -85(5) . .
C26 O5 N17 N16 -16(3) . .
C29 O5 N17 N16 -40(3) . .
Ru3 O5 N17 N16 139(3) . .
C30 O5 N17 C26 -69(4) . .
N16 O5 N17 C26 16(3) . .
C29 O5 N17 C26 -23.4(15) . .
Ru3 O5 N17 C26 155.7(16) . .
C30 O5 N17 Ru3 136(4) . .
C26 O5 N17 Ru3 -155.7(16) . .
N16 O5 N17 Ru3 -139(3) . .
C29 O5 N17 Ru3 -179.1(10) . .
O4 N16 N17 O5 8(6) . .
C26 N16 N17 O5 18(3) . .
C28 N16 N17 O5 28(4) . .
Ru2 N16 N17 O5 -143(3) . .
O4 N16 N17 C30 -22(6) . .
C26 N16 N17 C30 -12(2) . .
C28 N16 N17 C30 -2(3) . .
O5 N16 N17 C30 -30(3) . .
Ru2 N16 N17 C30 -172.5(16) . .
O4 N16 N17 C26 -10(5) . .
C28 N16 N17 C26 10.2(18) . .
O5 N16 N17 C26 -18(3) . .
Ru2 N16 N17 C26 -160(2) . .
O4 N16 N17 Ru3 144(5) . .
C26 N16 N17 Ru3 153.8(19) . .
C28 N16 N17 Ru3 164.0(16) . .
O5 N16 N17 Ru3 136(4) . .
Ru2 N16 N17 Ru3 -6(2) . .
O3 Ru3 N17 O5 120(3) . .
N17 Ru3 N17 O5 -153(3) 7_565 .
N14 Ru3 N17 O5 28(3) 7_565 .
N12 Ru3 N17 O5 -58(3) . .
O5 Ru3 N17 O5 -145(3) 7_565 .
O3 Ru3 N17 C30 147(2) . .
N17 Ru3 N17 C30 -127(2) 7_565 .
N14 Ru3 N17 C30 55(2) 7_565 .
N12 Ru3 N17 C30 -31(2) . .
O5 Ru3 N17 C30 -118(2) 7_565 .
O5 Ru3 N17 C30 26(2) . .
O3 Ru3 N17 N16 -16.1(17) . .
N17 Ru3 N17 N16 70.6(19) 7_565 .
N14 Ru3 N17 N16 -108.1(17) 7_565 .
N12 Ru3 N17 N16 166.0(17) . .
O5 Ru3 N17 N16 79.0(16) 7_565 .
O5 Ru3 N17 N16 -136(4) . .
O3 Ru3 N17 C26 52(4) . .
N17 Ru3 N17 C26 138(4) 7_565 .
N14 Ru3 N17 C26 -40(4) 7_565 .
N12 Ru3 N17 C26 -126(4) . .
O5 Ru3 N17 C26 147(4) 7_565 .
O5 Ru3 N17 C26 -69(5) . .
N2 N1 C1 C2 0.1(9) . .
Ru1 N1 C1 C2 177.7(6) . .
N1 C1 C2 C3 -0.3(11) . .
N1 N2 C3 C2 -0.3(9) . .
B1 N2 C3 C2 176.3(8) . .
C1 C2 C3 N2 0.4(10) . .
N4 N3 C4 C5 0.7(9) . .
Ru1 N3 C4 C5 179.5(5) . .
N3 C4 C5 C6 -0.3(10) . .
N3 N4 C6 C5 0.5(9) . .
B1 N4 C6 C5 -177.1(7) . .
C4 C5 C6 N4 -0.1(9) . .
N6 N5 C7 C8 1.0(10) . .
Ru1 N5 C7 C8 -177.1(6) . .
N5 C7 C8 C9 -0.9(11) . .
N5 N6 C9 C8 0.2(9) . .
B1 N6 C9 C8 -178.7(8) . .
C7 C8 C9 N6 0.4(10) . .
Ru1 O2 C10 O2 -16.1(15) . 7_565
Ru1 O2 C10 C11 162.7(6) . .
N7 N7 C12 C13 1.0(9) 7_565 .
Ru1 N7 C12 C13 171.8(7) . .
N7 C12 C13 C12 -1.6(14) . 7_565
N9 N8 C14 C15 0.000(1) . .
Ru2 N8 C14 C15 180.000(1) . .
N8 C14 C15 C16 0.000(1) . .
N8 N9 C16 C15 0.000(1) . .
B2 N9 C16 C15 180.000(1) . .
C14 C15 C16 N9 0.000(1) . .
N11 N10 C17 C18 -0.6(17) . .
Ru2 N10 C17 C18 -179.7(11) . .
N10 C17 C18 C19 1(2) . .
N10 N11 C19 C18 0.0(18) . .
B2 N11 C19 C18 176.5(15) . .
C17 C18 C19 N11 0(2) . .
N13 N12 C20 C21 0.000(2) . .
Ru3 N12 C20 C21 180.000(2) . .
N12 C20 C21 C22 0.000(2) . .
N12 N13 C22 C21 0.000(2) . .
B3 N13 C22 C21 180.000(3) . .
C20 C21 C22 N13 0.000(2) . .
N15 N14 C23 C24 -0.4(14) . .
Ru3 N14 C23 C24 176.6(8) . .
N14 C23 C24 C25 0.2(16) . .
N14 N15 C25 C24 -0.3(13) . .
B3 N15 C25 C24 -173.3(12) . .
C23 C24 C25 N15 0.1(15) . .
N16 O4 C26 C28 149(4) . .
Ru2 O4 C26 C28 169(3) . .
N16 O4 C26 C29 140(4) . .
C28 O4 C26 C29 -9(3) . .
Ru2 O4 C26 C29 160(2) . .
N16 O4 C26 O5 -20(4) . .
C28 O4 C26 O5 -169(4) . .
Ru2 O4 C26 O5 0(3) . .
N16 O4 C26 C30 11(5) . .
C28 O4 C26 C30 -138(5) . .
Ru2 O4 C26 C30 32(5) . .
C28 O4 C26 N16 -149(4) . .
Ru2 O4 C26 N16 21(2) . .
N16 O4 C26 N17 -6(3) . .
C28 O4 C26 N17 -155(3) . .
Ru2 O4 C26 N17 14(2) . .
N16 O4 C26 C27 166(3) . .
C28 O4 C26 C27 17(3) . .
Ru2 O4 C26 C27 -173.6(16) . .
C30 O5 C26 C28 127(9) . .
N17 O5 C26 C28 3(10) . .
N16 O5 C26 C28 -12(8) . .
C29 O5 C26 C28 141(10) . .
Ru3 O5 C26 C28 -20(10) . .
C30 O5 C26 C29 -14(4) . .
N17 O5 C26 C29 -137(3) . .
N16 O5 C26 C29 -153(3) . .
Ru3 O5 C26 C29 -161.2(19) . .
C30 O5 C26 O4 150(3) . .
N17 O5 C26 O4 27(3) . .
N16 O5 C26 O4 10.8(19) . .
C29 O5 C26 O4 164(4) . .
Ru3 O5 C26 O4 3(3) . .
N17 O5 C26 C30 -124(5) . .
N16 O5 C26 C30 -140(3) . .
C29 O5 C26 C30 14(4) . .
Ru3 O5 C26 C30 -148(4) . .
C30 O5 C26 N16 140(3) . .
N17 O5 C26 N16 16(3) . .
C29 O5 C26 N16 153(3) . .
Ru3 O5 C26 N16 -8(2) . .
C30 O5 C26 N17 124(5) . .
N16 O5 C26 N17 -16(3) . .
C29 O5 C26 N17 137(3) . .
Ru3 O5 C26 N17 -23.8(17) . .
C30 O5 C26 C27 -36(4) . .
N17 O5 C26 C27 -159(3) . .
N16 O5 C26 C27 -175(3) . .
C29 O5 C26 C27 -22.0(19) . .
Ru3 O5 C26 C27 176.8(17) . .
O4 N16 C26 C28 -21(3) . .
N17 N16 C26 C28 166(2) . .
O5 N16 C26 C28 176(3) . .
Ru2 N16 C26 C28 -88(6) . .
O4 N16 C26 C29 -73(6) . .
C28 N16 C26 C29 -51(5) . .
N17 N16 C26 C29 115(5) . .
O5 N16 C26 C29 124(5) . .
Ru2 N16 C26 C29 -139(5) . .
C28 N16 C26 O4 21(3) . .
N17 N16 C26 O4 -173(3) . .
O5 N16 C26 O4 -163(3) . .
Ru2 N16 C26 O4 -66(6) . .
O4 N16 C26 O5 163(3) . .
C28 N16 C26 O5 -176(3) . .
N17 N16 C26 O5 -9.8(17) . .
Ru2 N16 C26 O5 97(6) . .
O4 N16 C26 C30 -174(3) . .
C28 N16 C26 C30 -152(3) . .
N17 N16 C26 C30 14(2) . .
O5 N16 C26 C30 23.5(19) . .
Ru2 N16 C26 C30 120(5) . .
O4 N16 C26 N17 173(3) . .
C28 N16 C26 N17 -166(2) . .
O5 N16 C26 N17 9.8(17) . .
Ru2 N16 C26 N17 107(6) . .
O4 N16 C26 C27 -26(6) . .
C28 N16 C26 C27 -4(4) . .
N17 N16 C26 C27 162(5) . .
O5 N16 C26 C27 171(5) . .
Ru2 N16 C26 C27 -92(7) . .
O5 N17 C26 C28 -179(4) . .
C30 N17 C26 C28 148(4) . .
N16 N17 C26 C28 -17(3) . .
Ru3 N17 C26 C28 -99(5) . .
O5 N17 C26 C29 56(4) . .
C30 N17 C26 C29 23(3) . .
N16 N17 C26 C29 -143(3) . .
Ru3 N17 C26 C29 135(3) . .
O5 N17 C26 O4 -158(3) . .
C30 N17 C26 O4 169(2) . .
N16 N17 C26 O4 3.9(18) . .
Ru3 N17 C26 O4 -78(4) . .
C30 N17 C26 O5 -33(3) . .
N16 N17 C26 O5 162(3) . .
Ru3 N17 C26 O5 79(5) . .
O5 N17 C26 C30 33(3) . .
N16 N17 C26 C30 -165(2) . .
Ru3 N17 C26 C30 113(4) . .
O5 N17 C26 N16 -162(3) . .
C30 N17 C26 N16 165(2) . .
Ru3 N17 C26 N16 -82(4) . .
O5 N17 C26 C27 35(5) . .
C30 N17 C26 C27 2(4) . .
N16 N17 C26 C27 -163(4) . .
Ru3 N17 C26 C27 115(4) . .
C28 C26 C27 C29 -110(5) . .
O4 C26 C27 C29 -122(5) . .
O5 C26 C27 C29 64(5) . .
C30 C26 C27 C29 45(5) . .
N16 C26 C27 C29 -106(6) . .
N17 C26 C27 C29 43(6) . .
C29 C26 C27 C28 110(5) . .
O4 C26 C27 C28 -11.4(19) . .
O5 C26 C27 C28 174(3) . .
C30 C26 C27 C28 156(3) . .
N16 C26 C27 C28 4(4) . .
N17 C26 C27 C28 153(5) . .
C28 C26 C27 C30 -156(3) . .
C29 C26 C27 C30 -45(5) . .
O4 C26 C27 C30 -167(3) . .
O5 C26 C27 C30 19(2) . .
N16 C26 C27 C30 -151(5) . .
N17 C26 C27 C30 -2(3) . .
N16 O4 C28 C26 -36(4) . .
C26 O4 C28 N16 36(4) . .
N16 O4 C28 C29 -28(6) . .
C26 O4 C28 C29 7(3) . .
N16 O4 C28 C27 -62(7) . .
C26 O4 C28 C27 -26(4) . .
C29 C26 C28 O4 173(3) . .
O5 C26 C28 O4 31(9) . .
C30 C26 C28 O4 126(7) . .
N16 C26 C28 O4 17(2) . .
N17 C26 C28 O4 33(4) . .
C27 C26 C28 O4 -165(2) . .
C29 C26 C28 N16 156(2) . .
O4 C26 C28 N16 -17(2) . .
O5 C26 C28 N16 13(8) . .
C30 C26 C28 N16 109(7) . .
N17 C26 C28 N16 15(3) . .
C27 C26 C28 N16 178(2) . .
O4 C26 C28 C29 -173(3) . .
O5 C26 C28 C29 -143(9) . .
C30 C26 C28 C29 -47(6) . .
N16 C26 C28 C29 -156(2) . .
N17 C26 C28 C29 -140(4) . .
C27 C26 C28 C29 22.0(18) . .
C29 C26 C28 C27 -22.0(18) . .
O4 C26 C28 C27 165(2) . .
O5 C26 C28 C27 -165(9) . .
C30 C26 C28 C27 -69(7) . .
N16 C26 C28 C27 -178(2) . .
N17 C26 C28 C27 -162(3) . .
C26 N16 C28 O4 -140(5) . .
N17 N16 C28 O4 -154(5) . .
O5 N16 C28 O4 -143(5) . .
Ru2 N16 C28 O4 14(4) . .
O4 N16 C28 C26 140(5) . .
N17 N16 C28 C26 -14(2) . .
O5 N16 C28 C26 -3.0(19) . .
Ru2 N16 C28 C26 155(3) . .
O4 N16 C28 C29 160(5) . .
C26 N16 C28 C29 19.4(19) . .
N17 N16 C28 C29 6(3) . .
O5 N16 C28 C29 16(2) . .
Ru2 N16 C28 C29 173.9(17) . .
O4 N16 C28 C27 143(5) . .
C26 N16 C28 C27 3(2) . .
N17 N16 C28 C27 -11(3) . .
O5 N16 C28 C27 0(3) . .
Ru2 N16 C28 C27 157.1(19) . .
C29 C27 C28 O4 75(7) . .
C26 C27 C28 O4 30(5) . .
C30 C27 C28 O4 46(6) . .
C29 C27 C28 C26 46(4) . .
C30 C27 C28 C26 16.3(19) . .
C29 C27 C28 N16 43(5) . .
C26 C27 C28 N16 -3(2) . .
C30 C27 C28 N16 14(3) . .
C26 C27 C28 C29 -46(4) . .
C30 C27 C28 C29 -29(3) . .
C28 C27 C29 C26 -39(3) . .
C30 C27 C29 C26 69(5) . .
C26 C27 C29 C30 -69(5) . .
C28 C27 C29 C30 -108(6) . .
C26 C27 C29 C28 39(3) . .
C30 C27 C29 C28 108(6) . .
C26 C27 C29 O5 -44(3) . .
C28 C27 C29 O5 -82(4) . .
C30 C27 C29 O5 26(3) . .
C28 C26 C29 C27 68(5) . .
O4 C26 C29 C27 73(5) . .
O5 C26 C29 C27 -124(5) . .
C30 C26 C29 C27 -132(5) . .
N16 C26 C29 C27 115(6) . .
N17 C26 C29 C27 -152(4) . .
C28 C26 C29 C30 -160(3) . .
O4 C26 C29 C30 -155(3) . .
O5 C26 C29 C30 8(2) . .
N16 C26 C29 C30 -113(5) . .
N17 C26 C29 C30 -20(3) . .
C27 C26 C29 C30 132(5) . .
O4 C26 C29 C28 6(2) . .
O5 C26 C29 C28 168(3) . .
C30 C26 C29 C28 160(3) . .
N16 C26 C29 C28 48(4) . .
N17 C26 C29 C28 140(4) . .
C27 C26 C29 C28 -68(5) . .
C28 C26 C29 O5 -168(3) . .
O4 C26 C29 O5 -162(4) . .
C30 C26 C29 O5 -8(2) . .
N16 C26 C29 O5 -120(6) . .
N17 C26 C29 O5 -28(2) . .
C27 C26 C29 O5 124(5) . .
O4 C28 C29 C27 -132(5) . .
C26 C28 C29 C27 -122(5) . .
N16 C28 C29 C27 -145(4) . .
O4 C28 C29 C26 -10(4) . .
N16 C28 C29 C26 -24(2) . .
C27 C28 C29 C26 122(5) . .
O4 C28 C29 C30 7(5) . .
C26 C28 C29 C30 17(2) . .
N16 C28 C29 C30 -6(3) . .
C27 C28 C29 C30 139(5) . .
O4 C28 C29 O5 -2(4) . .
C26 C28 C29 O5 8(2) . .
N16 C28 C29 O5 -16(2) . .
C27 C28 C29 O5 130(4) . .
N17 O5 C30 C26 75(4) . .
N16 O5 C30 C26 29(2) . .
C29 O5 C30 C26 -11(3) . .
Ru3 O5 C30 C26 137(5) . .
C26 O5 C30 N17 -75(4) . .
N16 O5 C30 N17 -47(3) . .
C29 O5 C30 N17 -87(5) . .
Ru3 O5 C30 N17 61(5) . .
N17 O5 C30 C29 87(5) . .
C26 O5 C30 C29 11(3) . .
N16 O5 C30 C29 40(4) . .
Ru3 O5 C30 C29 148(3) . .
N17 O5 C30 C27 100(4) . .
C26 O5 C30 C27 25(2) . .
N16 O5 C30 C27 54(4) . .
C29 O5 C30 C27 13.8(17) . .
Ru3 O5 C30 C27 162(3) . .
C28 C26 C30 O5 -144(7) . .
C29 C26 C30 O5 166(4) . .
O4 C26 C30 O5 -52(6) . .
N16 C26 C30 O5 -46(4) . .
N17 C26 C30 O5 -32(3) . .
C27 C26 C30 O5 149(3) . .
C28 C26 C30 N17 -112(7) . .
C29 C26 C30 N17 -162(2) . .
O4 C26 C30 N17 -20(4) . .
O5 C26 C30 N17 32(3) . .
N16 C26 C30 N17 -14(2) . .
C27 C26 C30 N17 -179(2) . .
C28 C26 C30 C29 50(7) . .
O4 C26 C30 C29 141(5) . .
O5 C26 C30 C29 -166(4) . .
N16 C26 C30 C29 148(3) . .
N17 C26 C30 C29 162(2) . .
C27 C26 C30 C29 -17.1(18) . .
C28 C26 C30 C27 67(7) . .
C29 C26 C30 C27 17.1(18) . .
O4 C26 C30 C27 158(5) . .
O5 C26 C30 C27 -149(3) . .
N16 C26 C30 C27 165(3) . .
N17 C26 C30 C27 179(2) . .
N16 N17 C30 O5 106(5) . .
C26 N17 C30 O5 93(5) . .
Ru3 N17 C30 O5 -58(5) . .
O5 N17 C30 C26 -93(5) . .
N16 N17 C30 C26 12(2) . .
Ru3 N17 C30 C26 -152(2) . .
O5 N17 C30 C29 -108(5) . .
N16 N17 C30 C29 -2(3) . .
C26 N17 C30 C29 -14.5(18) . .
Ru3 N17 C30 C29 -166.3(18) . .
O5 N17 C30 C27 -95(5) . .
N16 N17 C30 C27 11(3) . .
C26 N17 C30 C27 -1.1(17) . .
Ru3 N17 C30 C27 -152.9(17) . .
C27 C29 C30 O5 77(8) . .
C26 C29 C30 O5 -15(4) . .
C28 C29 C30 O5 -28(4) . .
C27 C29 C30 C26 92(7) . .
C28 C29 C30 C26 -13.4(19) . .
O5 C29 C30 C26 15(4) . .
C27 C29 C30 N17 111(7) . .
C26 C29 C30 N17 18(2) . .
C28 C29 C30 N17 5(3) . .
O5 C29 C30 N17 33(3) . .
C26 C29 C30 C27 -92(7) . .
C28 C29 C30 C27 -106(7) . .
O5 C29 C30 C27 -77(8) . .
C33 O6 C32 C31 170(2) . .
C33 O6 C32 O6 59(3) . 7_565
C32 O6 C33 C33 -41(2) . 7_565
C32 O6 C33 C34 169(3) . .
C9 N6 B1 N4 124.3(8) . .
N5 N6 B1 N4 -54.5(8) . .
C9 N6 B1 N2 -119.4(8) . .
N5 N6 B1 N2 61.8(8) . .
C6 N4 B1 N6 -124.0(8) . .
N3 N4 B1 N6 58.6(8) . .
C6 N4 B1 N2 119.5(8) . .
N3 N4 B1 N2 -57.9(8) . .
C3 N2 B1 N6 121.1(8) . .
N1 N2 B1 N6 -62.5(8) . .
C3 N2 B1 N4 -121.7(8) . .
N1 N2 B1 N4 54.7(8) . .
C16 N9 B2 N11 120.6(8) . .
N8 N9 B2 N11 -59.4(8) . .
C16 N9 B2 N11 -120.6(8) . 7_565
N8 N9 B2 N11 59.4(8) . 7_565
C19 N11 B2 N9 -117.7(16) . .
N10 N11 B2 N9 58.5(14) . .
C19 N11 B2 N11 123.8(14) . 7_565
N10 N11 B2 N11 -60.0(18) . 7_565
C22 N13 B3 N15 -120.7(8) . .
N12 N13 B3 N15 59.3(8) . .
C22 N13 B3 N15 120.7(8) . 7_565
N12 N13 B3 N15 -59.3(8) . 7_565
C25 N15 B3 N13 114.3(13) . .
N14 N15 B3 N13 -58.2(12) . .
C25 N15 B3 N15 -128.2(11) . 7_565
N14 N15 B3 N15 59.3(15) . 7_565
