#------------------------------------------------------------------------------
#$Date: 2016-12-31 20:31:26 +0200 (Sat, 31 Dec 2016) $
#$Revision: 189516 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/09/1100944.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_1100944
loop_
_publ_author_name
'Nripen Chanda'
'Debamita Paul'
'Sanjib Kar'
'Shaikh M. Mobin'
'Anindya Datta'
'Vedavati G. Puranik'
'K. Krishnamurthy Rao'
'Goutam Kumar Lahiri'
_publ_section_title
;
 Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the
 Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+
 [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and
 Spectroscopic, Electrochemical, and Kinetic Aspects
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3499
_journal_page_last               3511
_journal_paper_doi               10.1021/ic048184w
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C27 H19 N6 O3 Ru.(ClO4).0.5(H2O)'
_chemical_formula_sum            'C27 H20 Cl N6 O7.5 Ru'
_chemical_formula_weight         685.01
_chemical_name_systematic        ?
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(11)
_cell_angle_beta                 90.000(10)
_cell_angle_gamma                90.000(6)
_cell_formula_units_Z            8
_cell_length_a                   11.1960(9)
_cell_length_b                   14.4280(10)
_cell_length_c                   34.039(6)
_cell_measurement_temperature    293(2)
_cell_volume                     5498.5(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.875
_diffrn_measured_fraction_theta_max 0.875
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4227
_diffrn_reflns_theta_full        24.91
_diffrn_reflns_theta_max         24.91
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    0.728
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2760
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         4227
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0447P)²+6.7176P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                3514
_reflns_number_total             4227
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048184wsi20041223_113549.cif
_cod_data_source_block           C27H19N6O3Ru.(ClO4).0.5(H2O)
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-31

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5498.5(12)
_cod_original_sg_symbol_H-M      'P b c a'
_cod_original_formula_sum        'C27 H20 Cl N6 O7.50 Ru'
_cod_database_code               1100944
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x+1/2, -y, -z+1/2'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x-1/2, y, z-1/2'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ru Ru 0.19100(3) 0.01815(2) 0.387124(8) 0.02922(11) Uani 1 1 d . . . 0
O1 O 0.2780(4) 0.0113(4) 0.46516(12) 0.1126(19) Uani 1 1 d . . . 0
O2 O 0.4137(3) 0.0473(3) 0.42716(11) 0.0777(11) Uani 1 1 d . . . 0
O3 O 0.0249(3) -0.23849(19) 0.37762(9) 0.0472(8) Uani 1 1 d . . . 0
N1 N 0.1467(3) -0.1220(2) 0.39532(9) 0.0338(8) Uani 1 1 d . . . 0
N2 N 0.0629(3) -0.0048(2) 0.34310(9) 0.0315(7) Uani 1 1 d . . . 0
N3 N 0.0612(3) 0.0811(2) 0.42158(9) 0.0367(8) Uani 1 1 d . . . 0
N4 N 0.2207(3) 0.1484(2) 0.37454(9) 0.0331(8) Uani 1 1 d . . . 0
N5 N 0.3315(3) 0.0042(2) 0.34866(10) 0.0336(8) Uani 1 1 d . . . 0
N6 N 0.3084(3) 0.0280(2) 0.43234(10) 0.0408(8) Uani 1 1 d . . . 0
C1 C 0.1050(4) -0.2723(3) 0.40500(13) 0.0463(11) Uani 1 1 d . . . 0
C2 C 0.1100(6) -0.3614(4) 0.41955(18) 0.0679(16) Uani 1 1 d . . . 0
C3 C 0.2002(7) -0.3762(4) 0.44589(19) 0.0787(19) Uani 1 1 d . . . 0
C4 C 0.2812(6) -0.3079(4) 0.45724(16) 0.0686(16) Uani 1 1 d . . . 0
C5 C 0.2720(5) -0.2187(4) 0.44254(14) 0.0512(12) Uani 1 1 d . . . 0
C6 C 0.1807(4) -0.2021(3) 0.41592(12) 0.0383(10) Uani 1 1 d . . . 0
C7 C 0.0577(4) -0.1484(3) 0.37313(12) 0.0367(9) Uani 1 1 d . . . 0
C8 C 0.0054(3) -0.0880(3) 0.34422(12) 0.0344(9) Uani 1 1 d . . . 0
C9 C -0.0866(4) -0.1101(4) 0.31892(15) 0.0500(12) Uani 1 1 d . . . 0
C10 C -0.1210(5) -0.0464(4) 0.29143(15) 0.0572(14) Uani 1 1 d . . . 0
C11 C -0.0622(5) 0.0369(3) 0.28902(13) 0.0495(12) Uani 1 1 d . . . 0
C12 C 0.0288(4) 0.0548(3) 0.31501(12) 0.0402(10) Uani 1 1 d . . . 0
C13 C -0.0173(5) 0.0423(4) 0.44652(14) 0.0534(13) Uani 1 1 d . . . 0
C14 C -0.0988(5) 0.0933(5) 0.46801(16) 0.0676(16) Uani 1 1 d . . . 0
C15 C -0.0988(6) 0.1876(5) 0.46418(18) 0.0759(18) Uani 1 1 d . . . 0
C16 C -0.0185(5) 0.2292(4) 0.43956(17) 0.0621(14) Uani 1 1 d . . . 0
C17 C 0.0607(4) 0.1762(3) 0.41827(12) 0.0412(10) Uani 1 1 d . . . 0
C18 C 0.1511(4) 0.2145(3) 0.39134(12) 0.0417(10) Uani 1 1 d . . . 0
C19 C 0.1721(5) 0.3066(3) 0.38291(16) 0.0570(14) Uani 1 1 d . . . 0
C20 C 0.2617(6) 0.3287(4) 0.35701(17) 0.0643(16) Uani 1 1 d . . . 0
C21 C 0.3306(5) 0.2613(3) 0.34000(15) 0.0521(13) Uani 1 1 d . . . 0
C22 C 0.3090(4) 0.1693(3) 0.34955(11) 0.0365(9) Uani 1 1 d . . . 0
C23 C 0.3744(4) 0.0871(3) 0.33498(12) 0.0387(10) Uani 1 1 d . . . 0
C24 C 0.4734(4) 0.0901(4) 0.31084(14) 0.0503(12) Uani 1 1 d . . . 0
C25 C 0.5312(5) 0.0100(4) 0.30064(15) 0.0585(14) Uani 1 1 d . . . 0
C26 C 0.4875(5) -0.0732(4) 0.31445(16) 0.0552(13) Uani 1 1 d . . . 0
C27 C 0.3872(4) -0.0733(3) 0.33777(13) 0.0419(11) Uani 1 1 d . . . 0
Cl Cl 0.20450(10) 0.78076(8) 0.26525(3) 0.0508(3) Uani 1 1 d . . . 0
O4 O 0.3255(3) 0.7613(3) 0.25503(11) 0.0858(13) Uani 1 1 d . . . 0
O5 O 0.1249(5) 0.7318(4) 0.24076(13) 0.1134(18) Uani 1 1 d . . . 0
O6 O 0.1864(3) 0.7561(3) 0.30546(10) 0.0681(10) Uani 1 1 d . . . 0
O7 O 0.1874(4) 0.8779(3) 0.26037(14) 0.0957(14) Uani 1 1 d . . . 0
O111 O 0.0869(7) 0.4106(5) 0.4829(2) 0.073(2) Uani 0.50 1 d P . . 2
H11 H -0.081(4) 0.080(3) 0.2714(11) 0.033(11) Uiso 1 1 d . . . 0
H5 H 0.321(4) -0.175(3) 0.4507(12) 0.042(13) Uiso 1 1 d . . . 0
H12 H 0.070(4) 0.109(3) 0.3143(12) 0.040(12) Uiso 1 1 d . . . 0
H13 H -0.019(4) -0.022(3) 0.4472(13) 0.054(14) Uiso 1 1 d . . . 0
H9 H -0.114(5) -0.171(4) 0.3201(14) 0.067(16) Uiso 1 1 d . . . 0
H21 H 0.389(4) 0.273(3) 0.3256(12) 0.041(13) Uiso 1 1 d . . . 0
H10 H -0.182(4) -0.062(3) 0.2746(13) 0.052(13) Uiso 1 1 d . . . 0
H24 H 0.487(4) 0.146(3) 0.2998(14) 0.058(15) Uiso 1 1 d . . . 0
H3 H 0.207(7) -0.440(6) 0.455(2) 0.14(3) Uiso 1 1 d . . . 0
H26 H 0.521(5) -0.124(4) 0.3112(15) 0.068(18) Uiso 1 1 d . . . 0
H27 H 0.355(4) -0.124(3) 0.3464(12) 0.037(12) Uiso 1 1 d . . . 0
H25 H 0.602(4) 0.015(3) 0.2841(14) 0.062(14) Uiso 1 1 d . . . 0
H16 H -0.017(5) 0.293(4) 0.4366(15) 0.067(16) Uiso 1 1 d . . . 0
H19 H 0.132(5) 0.352(4) 0.3924(15) 0.071(18) Uiso 1 1 d . . . 0
H4 H 0.358(5) -0.323(4) 0.4793(16) 0.10(2) Uiso 1 1 d . . . 0
H20 H 0.270(4) 0.384(4) 0.3489(15) 0.063(16) Uiso 1 1 d . . . 0
H15 H -0.152(5) 0.223(4) 0.4773(14) 0.068(16) Uiso 1 1 d . . . 0
H14 H -0.149(5) 0.061(4) 0.4839(14) 0.061(15) Uiso 1 1 d . . . 0
H2 H 0.051(5) -0.410(4) 0.4132(17) 0.10(2) Uiso 1 1 d . . . 0
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
N4 Ru N6 89.34(13) . . ?
N4 Ru N5 79.90(13) . . ?
N6 Ru N5 89.67(14) . . ?
N4 Ru N3 79.76(13) . . ?
N6 Ru N3 89.68(14) . . ?
N5 Ru N3 159.65(13) . . ?
N4 Ru N1 173.78(13) . . ?
N6 Ru N1 96.87(13) . . ?
N5 Ru N1 99.83(12) . . ?
N3 Ru N1 100.44(13) . . ?
N4 Ru N2 96.38(12) . . ?
N6 Ru N2 174.02(13) . . ?
N5 Ru N2 93.02(13) . . ?
N3 Ru N2 89.65(12) . . ?
N1 Ru N2 77.42(12) . . ?
C7 O3 C1 103.8(3) . . ?
C7 N1 C6 104.8(3) . . ?
C7 N1 Ru 112.5(3) . . ?
C6 N1 Ru 142.6(3) . . ?
C12 N2 C8 116.8(4) . . ?
C12 N2 Ru 127.0(3) . . ?
C8 N2 Ru 116.2(2) . . ?
C13 N3 C17 117.7(4) . . ?
C13 N3 Ru 129.1(3) . . ?
C17 N3 Ru 113.1(3) . . ?
C22 N4 C18 122.2(4) . . ?
C22 N4 Ru 118.7(3) . . ?
C18 N4 Ru 119.0(3) . . ?
C27 N5 C23 118.3(4) . . ?
C27 N5 Ru 128.1(3) . . ?
C23 N5 Ru 113.5(3) . . ?
O1 N6 O2 117.1(4) . . ?
O1 N6 Ru 120.8(3) . . ?
O2 N6 Ru 122.1(3) . . ?
C6 C1 C2 124.5(5) . . ?
C6 C1 O3 108.8(4) . . ?
C2 C1 O3 126.7(5) . . ?
C3 C2 C1 114.3(6) . . ?
C3 C2 H2 122(4) . . ?
C1 C2 H2 124(4) . . ?
C2 C3 C4 123.5(5) . . ?
C2 C3 H3 115(5) . . ?
C4 C3 H3 121(5) . . ?
C5 C4 C3 120.5(6) . . ?
C5 C4 H4 118(3) . . ?
C3 C4 H4 122(3) . . ?
C4 C5 C6 116.9(5) . . ?
C4 C5 H5 121(3) . . ?
C6 C5 H5 123(3) . . ?
C1 C6 C5 120.3(4) . . ?
C1 C6 N1 107.8(4) . . ?
C5 C6 N1 132.0(4) . . ?
N1 C7 O3 114.8(4) . . ?
N1 C7 C8 121.9(4) . . ?
O3 C7 C8 123.1(4) . . ?
N2 C8 C9 122.6(4) . . ?
N2 C8 C7 111.2(3) . . ?
C9 C8 C7 126.2(4) . . ?
C10 C9 C8 118.9(5) . . ?
C10 C9 H9 125(3) . . ?
C8 C9 H9 116(3) . . ?
C9 C10 C11 119.6(5) . . ?
C9 C10 H10 118(3) . . ?
C11 C10 H10 122(3) . . ?
C12 C11 C10 118.8(5) . . ?
C12 C11 H11 119(3) . . ?
C10 C11 H11 123(3) . . ?
N2 C12 C11 123.4(5) . . ?
N2 C12 H12 115(3) . . ?
C11 C12 H12 122(3) . . ?
N3 C13 C14 122.9(5) . . ?
N3 C13 H13 116(3) . . ?
C14 C13 H13 120(3) . . ?
C15 C14 C13 118.7(6) . . ?
C15 C14 H14 125(3) . . ?
C13 C14 H14 117(3) . . ?
C14 C15 C16 119.7(6) . . ?
C14 C15 H15 121(3) . . ?
C16 C15 H15 119(3) . . ?
C15 C16 C17 120.2(5) . . ?
C15 C16 H16 121(3) . . ?
C17 C16 H16 119(3) . . ?
N3 C17 C16 120.9(4) . . ?
N3 C17 C18 115.0(4) . . ?
C16 C17 C18 124.2(4) . . ?
N4 C18 C19 119.4(4) . . ?
N4 C18 C17 113.1(4) . . ?
C19 C18 C17 127.4(4) . . ?
C20 C19 C18 118.8(5) . . ?
C20 C19 H19 117(4) . . ?
C18 C19 H19 124(4) . . ?
C21 C20 C19 121.2(5) . . ?
C21 C20 H20 118(4) . . ?
C19 C20 H20 120(4) . . ?
C20 C21 C22 118.8(5) . . ?
C20 C21 H21 123(3) . . ?
C22 C21 H21 118(3) . . ?
N4 C22 C21 119.5(4) . . ?
N4 C22 C23 113.5(3) . . ?
C21 C22 C23 127.0(4) . . ?
N5 C23 C24 120.8(4) . . ?
N5 C23 C22 114.4(3) . . ?
C24 C23 C22 124.8(4) . . ?
C25 C24 C23 120.2(5) . . ?
C25 C24 H24 124(3) . . ?
C23 C24 H24 115(3) . . ?
C24 C25 C26 118.7(5) . . ?
C24 C25 H25 118(3) . . ?
C26 C25 H25 123(3) . . ?
C27 C26 C25 119.3(5) . . ?
C27 C26 H26 117(4) . . ?
C25 C26 H26 124(4) . . ?
N5 C27 C26 122.7(5) . . ?
N5 C27 H27 115(3) . . ?
C26 C27 H27 122(3) . . ?
O5 Cl O7 109.8(3) . . ?
O5 Cl O4 111.0(3) . . ?
O7 Cl O4 107.1(3) . . ?
O5 Cl O6 110.6(3) . . ?
O7 Cl O6 109.7(3) . . ?
O4 Cl O6 108.6(2) . . ?
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
Ru N4 1.956(3) . ?
Ru N6 2.029(3) . ?
Ru N5 2.056(3) . ?
Ru N3 2.077(3) . ?
Ru N1 2.101(3) . ?
Ru N2 2.101(3) . ?
O1 N6 1.193(5) . ?
O2 N6 1.225(5) . ?
O3 C7 1.360(5) . ?
O3 C1 1.383(5) . ?
N1 C7 1.308(5) . ?
N1 C6 1.404(5) . ?
N2 C12 1.341(5) . ?
N2 C8 1.362(5) . ?
N3 C13 1.344(6) . ?
N3 C17 1.376(5) . ?
N4 C22 1.338(5) . ?
N4 C18 1.358(5) . ?
N5 C27 1.333(5) . ?
N5 C23 1.370(5) . ?
C1 C6 1.372(6) . ?
C1 C2 1.379(6) . ?
C2 C3 1.368(9) . ?
C2 H2 0.99(6) . ?
C3 C4 1.393(9) . ?
C3 H3 0.97(8) . ?
C4 C5 1.385(7) . ?
C4 H4 1.16(6) . ?
C5 C6 1.387(6) . ?
C5 H5 0.89(4) . ?
C7 C8 1.438(6) . ?
C8 C9 1.381(6) . ?
C9 C10 1.366(7) . ?
C9 H9 0.93(5) . ?
C10 C11 1.374(7) . ?
C10 H10 0.92(5) . ?
C11 C12 1.374(6) . ?
C11 H11 0.88(4) . ?
C12 H12 0.91(4) . ?
C13 C14 1.383(7) . ?
C13 H13 0.92(5) . ?
C14 C15 1.367(8) . ?
C14 H14 0.91(5) . ?
C15 C16 1.367(8) . ?
C15 H15 0.91(5) . ?
C16 C17 1.377(7) . ?
C16 H16 0.93(5) . ?
C17 C18 1.473(6) . ?
C18 C19 1.380(6) . ?
C19 C20 1.373(8) . ?
C19 H19 0.85(5) . ?
C20 C21 1.370(8) . ?
C20 H20 0.85(5) . ?
C21 C22 1.388(6) . ?
C21 H21 0.83(4) . ?
C22 C23 1.479(6) . ?
C23 C24 1.381(6) . ?
C24 C25 1.370(7) . ?
C24 H24 0.90(5) . ?
C25 C26 1.378(7) . ?
C25 H25 0.97(5) . ?
C26 C27 1.375(7) . ?
C26 H26 0.83(5) . ?
C27 H27 0.87(4) . ?
Cl O5 1.410(4) . ?
Cl O7 1.424(4) . ?
Cl O4 1.427(4) . ?
Cl O6 1.429(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Ru N1 C7 -10.7(13) . . . . ?
N6 Ru N1 C7 171.5(3) . . . . ?
N5 Ru N1 C7 -97.7(3) . . . . ?
N3 Ru N1 C7 80.5(3) . . . . ?
N2 Ru N1 C7 -6.8(3) . . . . ?
N4 Ru N1 C6 166.8(10) . . . . ?
N6 Ru N1 C6 -11.0(5) . . . . ?
N5 Ru N1 C6 79.8(4) . . . . ?
N3 Ru N1 C6 -102.0(4) . . . . ?
N2 Ru N1 C6 170.8(5) . . . . ?
N4 Ru N2 C12 5.1(3) . . . . ?
N6 Ru N2 C12 168.2(12) . . . . ?
N5 Ru N2 C12 -75.1(3) . . . . ?
N3 Ru N2 C12 84.7(3) . . . . ?
N1 Ru N2 C12 -174.5(4) . . . . ?
N4 Ru N2 C8 -172.3(3) . . . . ?
N6 Ru N2 C8 -9.2(14) . . . . ?
N5 Ru N2 C8 107.5(3) . . . . ?
N3 Ru N2 C8 -92.7(3) . . . . ?
N1 Ru N2 C8 8.1(3) . . . . ?
N4 Ru N3 C13 -177.7(4) . . . . ?
N6 Ru N3 C13 -88.3(4) . . . . ?
N5 Ru N3 C13 -176.5(4) . . . . ?
N1 Ru N3 C13 8.6(4) . . . . ?
N2 Ru N3 C13 85.7(4) . . . . ?
N4 Ru N3 C17 0.4(3) . . . . ?
N6 Ru N3 C17 89.8(3) . . . . ?
N5 Ru N3 C17 1.6(5) . . . . ?
N1 Ru N3 C17 -173.3(3) . . . . ?
N2 Ru N3 C17 -96.1(3) . . . . ?
N6 Ru N4 C22 89.6(3) . . . . ?
N5 Ru N4 C22 -0.2(3) . . . . ?
N3 Ru N4 C22 179.3(3) . . . . ?
N1 Ru N4 C22 -88.3(12) . . . . ?
N2 Ru N4 C22 -92.2(3) . . . . ?
N6 Ru N4 C18 -90.6(3) . . . . ?
N5 Ru N4 C18 179.7(3) . . . . ?
N3 Ru N4 C18 -0.8(3) . . . . ?
N1 Ru N4 C18 91.6(12) . . . . ?
N2 Ru N4 C18 87.7(3) . . . . ?
N4 Ru N5 C27 177.2(4) . . . . ?
N6 Ru N5 C27 87.8(4) . . . . ?
N3 Ru N5 C27 176.0(4) . . . . ?
N1 Ru N5 C27 -9.1(4) . . . . ?
N2 Ru N5 C27 -86.8(4) . . . . ?
N4 Ru N5 C23 1.1(3) . . . . ?
N6 Ru N5 C23 -88.2(3) . . . . ?
N3 Ru N5 C23 -0.1(5) . . . . ?
N1 Ru N5 C23 174.8(3) . . . . ?
N2 Ru N5 C23 97.1(3) . . . . ?
N4 Ru N6 O1 121.8(4) . . . . ?
N5 Ru N6 O1 -158.3(4) . . . . ?
N3 Ru N6 O1 42.1(4) . . . . ?
N1 Ru N6 O1 -58.4(4) . . . . ?
N2 Ru N6 O1 -41.4(15) . . . . ?
N4 Ru N6 O2 -61.2(4) . . . . ?
N5 Ru N6 O2 18.7(4) . . . . ?
N3 Ru N6 O2 -141.0(4) . . . . ?
N1 Ru N6 O2 118.5(4) . . . . ?
N2 Ru N6 O2 135.5(11) . . . . ?
C7 O3 C1 C6 0.5(5) . . . . ?
C7 O3 C1 C2 -179.6(5) . . . . ?
C6 C1 C2 C3 -1.4(8) . . . . ?
O3 C1 C2 C3 178.8(5) . . . . ?
C1 C2 C3 C4 -0.2(9) . . . . ?
C2 C3 C4 C5 1.5(10) . . . . ?
C3 C4 C5 C6 -1.1(8) . . . . ?
C2 C1 C6 C5 1.8(7) . . . . ?
O3 C1 C6 C5 -178.4(4) . . . . ?
C2 C1 C6 N1 -179.2(5) . . . . ?
O3 C1 C6 N1 0.7(5) . . . . ?
C4 C5 C6 C1 -0.5(7) . . . . ?
C4 C5 C6 N1 -179.2(4) . . . . ?
C7 N1 C6 C1 -1.6(5) . . . . ?
Ru N1 C6 C1 -179.3(3) . . . . ?
C7 N1 C6 C5 177.2(5) . . . . ?
Ru N1 C6 C5 -0.4(8) . . . . ?
C6 N1 C7 O3 2.1(5) . . . . ?
Ru N1 C7 O3 -179.5(3) . . . . ?
C6 N1 C7 C8 -173.3(4) . . . . ?
Ru N1 C7 C8 5.1(5) . . . . ?
C1 O3 C7 N1 -1.7(5) . . . . ?
C1 O3 C7 C8 173.7(4) . . . . ?
C12 N2 C8 C9 -2.4(6) . . . . ?
Ru N2 C8 C9 175.3(3) . . . . ?
C12 N2 C8 C7 174.6(4) . . . . ?
Ru N2 C8 C7 -7.7(4) . . . . ?
N1 C7 C8 N2 1.6(6) . . . . ?
O3 C7 C8 N2 -173.4(4) . . . . ?
N1 C7 C8 C9 178.5(4) . . . . ?
O3 C7 C8 C9 3.4(7) . . . . ?
N2 C8 C9 C10 0.6(7) . . . . ?
C7 C8 C9 C10 -175.9(4) . . . . ?
C8 C9 C10 C11 1.3(8) . . . . ?
C9 C10 C11 C12 -1.2(7) . . . . ?
C8 N2 C12 C11 2.4(6) . . . . ?
Ru N2 C12 C11 -175.0(3) . . . . ?
C10 C11 C12 N2 -0.7(7) . . . . ?
C17 N3 C13 C14 1.4(7) . . . . ?
Ru N3 C13 C14 179.4(4) . . . . ?
N3 C13 C14 C15 -0.9(9) . . . . ?
C13 C14 C15 C16 -0.3(10) . . . . ?
C14 C15 C16 C17 1.0(10) . . . . ?
C13 N3 C17 C16 -0.7(7) . . . . ?
Ru N3 C17 C16 -179.0(4) . . . . ?
C13 N3 C17 C18 178.3(4) . . . . ?
Ru N3 C17 C18 0.0(5) . . . . ?
C15 C16 C17 N3 -0.5(8) . . . . ?
C15 C16 C17 C18 -179.4(5) . . . . ?
C22 N4 C18 C19 -0.7(6) . . . . ?
Ru N4 C18 C19 179.4(3) . . . . ?
C22 N4 C18 C17 -179.2(4) . . . . ?
Ru N4 C18 C17 1.0(5) . . . . ?
N3 C17 C18 N4 -0.6(5) . . . . ?
C16 C17 C18 N4 178.4(4) . . . . ?
N3 C17 C18 C19 -178.9(5) . . . . ?
C16 C17 C18 C19 0.1(8) . . . . ?
N4 C18 C19 C20 1.3(7) . . . . ?
C17 C18 C19 C20 179.5(5) . . . . ?
C18 C19 C20 C21 -0.8(8) . . . . ?
C19 C20 C21 C22 -0.4(8) . . . . ?
C18 N4 C22 C21 -0.5(6) . . . . ?
Ru N4 C22 C21 179.4(3) . . . . ?
C18 N4 C22 C23 179.4(4) . . . . ?
Ru N4 C22 C23 -0.7(4) . . . . ?
C20 C21 C22 N4 1.0(7) . . . . ?
C20 C21 C22 C23 -178.9(5) . . . . ?
C27 N5 C23 C24 -0.6(6) . . . . ?
Ru N5 C23 C24 175.9(3) . . . . ?
C27 N5 C23 C22 -178.3(4) . . . . ?
Ru N5 C23 C22 -1.8(4) . . . . ?
N4 C22 C23 N5 1.7(5) . . . . ?
C21 C22 C23 N5 -178.4(4) . . . . ?
N4 C22 C23 C24 -175.9(4) . . . . ?
C21 C22 C23 C24 4.0(7) . . . . ?
N5 C23 C24 C25 -0.9(7) . . . . ?
C22 C23 C24 C25 176.6(4) . . . . ?
C23 C24 C25 C26 1.0(8) . . . . ?
C24 C25 C26 C27 0.3(8) . . . . ?
C23 N5 C27 C26 2.0(6) . . . . ?
Ru N5 C27 C26 -173.9(4) . . . . ?
C25 C26 C27 N5 -1.9(8) . . . . ?
