#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:24:46 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180337 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/06/7200653.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_7200653
loop_
_publ_author_name
'Yang, Li-Fei'
'Cao, Man-Li'
'Mo, Hao-Jun'
'Hao, Hong-Guo'
'Wu, Jin-Ji'
'Zhang, Jie-Peng'
'Ye, Bao-Hui'
_publ_section_title
;
 pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks
 based on [Ru(H2biim)3]SO4: polymorphs and topological isomers
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1114
_journal_paper_doi               10.1039/b819646j
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C18 H18 N12 O4 Ru S'
_chemical_formula_sum            'C18 H18 N12 O4 Ru S'
_chemical_formula_weight         599.58
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.357(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1802(9)
_cell_length_b                   21.293(2)
_cell_length_c                   15.2116(14)
_cell_measurement_reflns_used    4380
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.84
_cell_volume                     2262.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8300
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.841
_exptl_absorpt_correction_T_max  0.7987
_exptl_absorpt_correction_T_min  0.7747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.689
_refine_diff_density_min         -0.414
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4380
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0533P)²+1.1538P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.1015
_reflns_number_gt                3775
_reflns_number_total             4380
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b819646j.txt
_cod_data_source_block           complex_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      P21/c
_cod_database_code               7200653
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.74384(3) 0.670705(11) 0.464823(17) 0.02091(11) Uani 1 1 d . . .
N1 N 0.7418(4) 0.66521(11) 0.60003(19) 0.0210(5) Uani 1 1 d . . .
N2 N 0.8372(5) 0.61859(15) 0.7481(2) 0.0409(7) Uani 1 1 d . . .
H2B H 0.8817 0.5912 0.7954 0.061 Uiso 1 1 d R . .
N3 N 0.9534(4) 0.60405(12) 0.5481(2) 0.0276(6) Uani 1 1 d . . .
N4 N 1.1375(4) 0.55428(14) 0.6946(2) 0.0404(7) Uani 1 1 d . . .
H4B H 1.1777 0.5450 0.7577 0.061 Uiso 1 1 d R . .
N5 N 0.5241(4) 0.60645(12) 0.3845(2) 0.0275(6) Uani 1 1 d . . .
N6 N 0.3347(4) 0.55370(14) 0.2428(2) 0.0392(7) Uani 1 1 d . . .
H6B H 0.2995 0.5401 0.1813 0.059 Uiso 1 1 d R . .
N7 N 0.7490(4) 0.65722(12) 0.3314(2) 0.0252(6) Uani 1 1 d . . .
N8 N 0.6551(4) 0.60246(14) 0.1899(2) 0.0393(7) Uani 1 1 d . . .
H8B H 0.5867 0.5754 0.1440 0.059 Uiso 1 1 d R . .
N9 N 0.9369(4) 0.74443(12) 0.5184(2) 0.0266(6) Uani 1 1 d . . .
N10 N 0.9917(4) 0.84586(14) 0.5238(2) 0.0393(7) Uani 1 1 d . . .
H10B H 0.9684 0.8848 0.5160 0.059 Uiso 1 1 d R . .
N11 N 0.5633(4) 0.74814(12) 0.4136(2) 0.0271(6) Uani 1 1 d . . .
N12 N 0.5267(4) 0.84977(14) 0.4254(2) 0.0374(7) Uani 1 1 d . . .
H12B H 0.5620 0.8877 0.4435 0.056 Uiso 1 1 d R . .
C1 C 0.6342(5) 0.68804(18) 0.6392(3) 0.0410(9) Uani 1 1 d . . .
H1A H 0.5375 0.7180 0.6083 0.061 Uiso 1 1 d R . .
C2 C 0.6942(7) 0.6590(2) 0.7305(3) 0.0521(11) Uani 1 1 d . . .
H2A H 0.6464 0.6657 0.7734 0.078 Uiso 1 1 d R . .
C3 C 0.8585(5) 0.62289(16) 0.6674(2) 0.0302(7) Uani 1 1 d . . .
C4 C 0.9834(5) 0.59169(15) 0.6407(3) 0.0298(7) Uani 1 1 d . . .
C5 C 1.2106(5) 0.54379(18) 0.6337(3) 0.0475(10) Uani 1 1 d . . .
H5A H 1.3191 0.5203 0.6511 0.071 Uiso 1 1 d R . .
C6 C 1.0969(5) 0.57363(16) 0.5429(3) 0.0388(9) Uani 1 1 d . . .
H6A H 1.1131 0.5736 0.4867 0.058 Uiso 1 1 d R . .
C7 C 0.3835(5) 0.57739(17) 0.3944(3) 0.0420(9) Uani 1 1 d . . .
H7A H 0.3708 0.5792 0.4516 0.063 Uiso 1 1 d R . .
C8 C 0.2670(5) 0.54592(18) 0.3060(3) 0.0472(10) Uani 1 1 d . . .
H8A H 0.1592 0.5229 0.2915 0.071 Uiso 1 1 d R . .
C9 C 0.4905(5) 0.59089(14) 0.2927(2) 0.0277(7) Uani 1 1 d . . .
C10 C 0.6223(5) 0.61597(15) 0.2654(2) 0.0296(7) Uani 1 1 d . . .
C11 C 0.8113(6) 0.63631(19) 0.2084(3) 0.0464(10) Uani 1 1 d . . .
H11A H 0.8682 0.6362 0.1691 0.070 Uiso 1 1 d R . .
C12 C 0.8679(5) 0.67009(17) 0.2946(3) 0.0378(8) Uani 1 1 d . . .
H12A H 0.9710 0.6977 0.3246 0.057 Uiso 1 1 d R . .
C13 C 1.1290(5) 0.75374(17) 0.5601(3) 0.0385(9) Uani 1 1 d . . .
H13A H 1.2212 0.7223 0.5827 0.058 Uiso 1 1 d R . .
C14 C 1.1624(6) 0.81619(18) 0.5628(3) 0.0481(10) Uani 1 1 d . . .
H14A H 1.2807 0.8352 0.5871 0.072 Uiso 1 1 d R . .
C15 C 0.8589(5) 0.80126(15) 0.4982(2) 0.0287(7) Uani 1 1 d . . .
C16 C 0.6520(5) 0.80298(15) 0.4469(2) 0.0285(7) Uani 1 1 d . . .
C17 C 0.3508(6) 0.82347(18) 0.3780(3) 0.0489(10) Uani 1 1 d . . .
H17A H 0.2357 0.8444 0.3549 0.073 Uiso 1 1 d R . .
C18 C 0.3724(5) 0.76122(18) 0.3703(3) 0.0406(9) Uani 1 1 d . . .
H18A H 0.2737 0.7319 0.3406 0.061 Uiso 1 1 d R . .
S1 S 0.20688(12) 0.98594(4) 0.45512(6) 0.0286(2) Uani 1 1 d . . .
O1 O 0.3043(4) 0.95261(13) 0.55323(19) 0.0472(7) Uani 1 1 d . . .
O2 O 0.2203(4) 1.05370(12) 0.4726(2) 0.0475(7) Uani 1 1 d . . .
O3 O 0.0030(4) 0.96731(12) 0.3969(2) 0.0463(7) Uani 1 1 d . . .
O4 O 0.2963(4) 0.96967(13) 0.3955(2) 0.0474(7) 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
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'
S S 0.1246 0.1234 '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
N1 Ru1 N9 92.90(10) . . ?
N1 Ru1 N7 168.78(10) . . ?
N9 Ru1 N7 95.19(10) . . ?
N1 Ru1 N3 77.61(10) . . ?
N9 Ru1 N3 93.43(11) . . ?
N7 Ru1 N3 94.12(10) . . ?
N1 Ru1 N11 92.65(10) . . ?
N9 Ru1 N11 78.07(11) . . ?
N7 Ru1 N11 96.62(10) . . ?
N3 Ru1 N11 166.84(10) . . ?
N1 Ru1 N5 95.46(10) . . ?
N9 Ru1 N5 168.89(10) . . ?
N7 Ru1 N5 77.61(10) . . ?
N3 Ru1 N5 95.51(11) . . ?
N11 Ru1 N5 94.21(11) . . ?
C3 N1 C1 105.7(3) . . ?
C3 N1 Ru1 115.6(2) . . ?
C1 N1 Ru1 138.1(2) . . ?
C3 N2 C2 106.6(3) . . ?
C3 N2 H2B 128.8 . . ?
C2 N2 H2B 123.3 . . ?
C4 N3 C6 106.0(3) . . ?
C4 N3 Ru1 115.0(2) . . ?
C6 N3 Ru1 138.1(2) . . ?
C4 N4 C5 106.7(3) . . ?
C4 N4 H4B 120.5 . . ?
C5 N4 H4B 132.5 . . ?
C9 N5 C7 106.0(3) . . ?
C9 N5 Ru1 115.4(2) . . ?
C7 N5 Ru1 138.3(2) . . ?
C8 N6 C9 106.8(3) . . ?
C8 N6 H6B 134.0 . . ?
C9 N6 H6B 119.2 . . ?
C10 N7 C12 105.2(3) . . ?
C10 N7 Ru1 115.2(2) . . ?
C12 N7 Ru1 138.5(2) . . ?
C10 N8 C11 107.1(3) . . ?
C10 N8 H8B 120.6 . . ?
C11 N8 H8B 132.3 . . ?
C15 N9 C13 105.8(3) . . ?
C15 N9 Ru1 115.1(2) . . ?
C13 N9 Ru1 138.5(2) . . ?
C15 N10 C14 107.0(3) . . ?
C15 N10 H10B 124.5 . . ?
C14 N10 H10B 128.6 . . ?
C16 N11 C18 105.3(3) . . ?
C16 N11 Ru1 114.5(2) . . ?
C18 N11 Ru1 138.7(2) . . ?
C16 N12 C17 106.8(3) . . ?
C16 N12 H12B 122.4 . . ?
C17 N12 H12B 130.7 . . ?
C2 C1 N1 108.0(3) . . ?
C2 C1 H1A 126.1 . . ?
N1 C1 H1A 126.0 . . ?
C1 C2 N2 107.8(3) . . ?
C1 C2 H2A 126.1 . . ?
N2 C2 H2A 126.1 . . ?
N1 C3 N2 111.9(3) . . ?
N1 C3 C4 115.2(3) . . ?
N2 C3 C4 132.8(3) . . ?
N3 C4 N4 111.1(3) . . ?
N3 C4 C3 116.2(3) . . ?
N4 C4 C3 132.5(3) . . ?
N4 C5 C6 107.8(3) . . ?
N4 C5 H5A 126.1 . . ?
C6 C5 H5A 126.1 . . ?
C5 C6 N3 108.3(3) . . ?
C5 C6 H6A 125.8 . . ?
N3 C6 H6A 125.9 . . ?
C8 C7 N5 108.0(3) . . ?
C8 C7 H7A 125.9 . . ?
N5 C7 H7A 126.0 . . ?
N6 C8 C7 108.1(3) . . ?
N6 C8 H8A 126.0 . . ?
C7 C8 H8A 126.0 . . ?
N5 C9 N6 111.1(3) . . ?
N5 C9 C10 115.9(3) . . ?
N6 C9 C10 133.1(3) . . ?
N7 C10 N8 111.3(3) . . ?
N7 C10 C9 115.6(3) . . ?
N8 C10 C9 132.8(3) . . ?
C12 C11 N8 107.1(3) . . ?
C12 C11 H11A 126.4 . . ?
N8 C11 H11A 126.5 . . ?
C11 C12 N7 109.3(3) . . ?
C11 C12 H12A 125.4 . . ?
N7 C12 H12A 125.3 . . ?
C14 C13 N9 108.7(3) . . ?
C14 C13 H13A 125.7 . . ?
N9 C13 H13A 125.6 . . ?
C13 C14 N10 107.4(3) . . ?
C13 C14 H14A 126.3 . . ?
N10 C14 H14A 126.3 . . ?
N9 C15 N10 111.1(3) . . ?
N9 C15 C16 115.7(3) . . ?
N10 C15 C16 133.0(3) . . ?
N11 C16 N12 111.3(3) . . ?
N11 C16 C15 115.9(3) . . ?
N12 C16 C15 132.8(3) . . ?
C18 C17 N12 107.6(3) . . ?
C18 C17 H17A 126.2 . . ?
N12 C17 H17A 126.2 . . ?
C17 C18 N11 109.0(3) . . ?
C17 C18 H18A 125.5 . . ?
N11 C18 H18A 125.5 . . ?
O1 S1 O2 110.16(16) . . ?
O1 S1 O4 109.49(16) . . ?
O2 S1 O4 109.29(17) . . ?
O1 S1 O3 109.14(16) . . ?
O2 S1 O3 109.18(15) . . ?
O4 S1 O3 109.56(15) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 2.069(2) . ?
Ru1 N9 2.069(3) . ?
Ru1 N7 2.072(3) . ?
Ru1 N3 2.073(3) . ?
Ru1 N11 2.076(3) . ?
Ru1 N5 2.076(3) . ?
N1 C3 1.324(4) . ?
N1 C1 1.383(4) . ?
N2 C3 1.331(4) . ?
N2 C2 1.362(5) . ?
N2 H2B 0.8465 . ?
N3 C4 1.324(4) . ?
N3 C6 1.379(4) . ?
N4 C4 1.349(4) . ?
N4 C5 1.357(5) . ?
N4 H4B 0.8601 . ?
N5 C9 1.318(4) . ?
N5 C7 1.381(4) . ?
N6 C8 1.346(5) . ?
N6 C9 1.349(4) . ?
N6 H6B 0.8721 . ?
N7 C10 1.331(4) . ?
N7 C12 1.378(4) . ?
N8 C10 1.340(4) . ?
N8 C11 1.363(5) . ?
N8 H8B 0.8510 . ?
N9 C15 1.327(4) . ?
N9 C13 1.369(4) . ?
N10 C15 1.339(4) . ?
N10 C14 1.356(5) . ?
N10 H10B 0.8460 . ?
N11 C16 1.328(4) . ?
N11 C18 1.371(4) . ?
N12 C16 1.342(4) . ?
N12 C17 1.351(5) . ?
N12 H12B 0.8530 . ?
C1 C2 1.358(5) . ?
C1 H1A 0.9301 . ?
C2 H2A 0.9300 . ?
C3 C4 1.443(5) . ?
C5 C6 1.357(5) . ?
C5 H5A 0.9299 . ?
C6 H6A 0.9300 . ?
C7 C8 1.353(5) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9301 . ?
C9 C10 1.444(5) . ?
C11 C12 1.349(5) . ?
C11 H11A 0.9301 . ?
C12 H12A 0.9300 . ?
C13 C14 1.354(5) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C16 1.449(5) . ?
C17 C18 1.350(5) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9301 . ?
S1 O1 1.459(2) . ?
S1 O2 1.461(3) . ?
S1 O4 1.472(3) . ?
S1 O3 1.479(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2B O3 0.85 1.82 2.667(4) 173.4 4_676
N4 H4B O4 0.86 1.82 2.675(4) 171.5 4_676
N6 H6B O1 0.87 1.98 2.766(4) 150.0 4_575
N8 H8B O1 0.85 2.07 2.779(4) 140.5 4_575
N10 H10B O2 0.85 2.10 2.772(4) 136.1 3_676
N12 H12B O2 0.85 2.00 2.752(4) 146.8 3_676
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
N9 Ru1 N1 C3 -96.0(2) . . . . ?
N7 Ru1 N1 C3 40.0(6) . . . . ?
N3 Ru1 N1 C3 -3.2(2) . . . . ?
N11 Ru1 N1 C3 -174.2(2) . . . . ?
N5 Ru1 N1 C3 91.3(2) . . . . ?
N9 Ru1 N1 C1 94.5(4) . . . . ?
N7 Ru1 N1 C1 -129.4(5) . . . . ?
N3 Ru1 N1 C1 -172.6(4) . . . . ?
N11 Ru1 N1 C1 16.3(4) . . . . ?
N5 Ru1 N1 C1 -78.1(4) . . . . ?
N1 Ru1 N3 C4 -0.6(2) . . . . ?
N9 Ru1 N3 C4 91.6(2) . . . . ?
N7 Ru1 N3 C4 -172.9(2) . . . . ?
N11 Ru1 N3 C4 42.4(6) . . . . ?
N5 Ru1 N3 C4 -95.0(2) . . . . ?
N1 Ru1 N3 C6 -168.0(4) . . . . ?
N9 Ru1 N3 C6 -75.8(3) . . . . ?
N7 Ru1 N3 C6 19.6(4) . . . . ?
N11 Ru1 N3 C6 -125.0(5) . . . . ?
N5 Ru1 N3 C6 97.6(3) . . . . ?
N1 Ru1 N5 C9 -173.4(2) . . . . ?
N9 Ru1 N5 C9 48.0(6) . . . . ?
N7 Ru1 N5 C9 -2.4(2) . . . . ?
N3 Ru1 N5 C9 -95.4(2) . . . . ?
N11 Ru1 N5 C9 93.5(2) . . . . ?
N1 Ru1 N5 C7 14.2(4) . . . . ?
N9 Ru1 N5 C7 -124.4(5) . . . . ?
N7 Ru1 N5 C7 -174.8(4) . . . . ?
N3 Ru1 N5 C7 92.2(4) . . . . ?
N11 Ru1 N5 C7 -78.9(4) . . . . ?
N1 Ru1 N7 C10 51.1(6) . . . . ?
N9 Ru1 N7 C10 -173.0(2) . . . . ?
N3 Ru1 N7 C10 93.2(2) . . . . ?
N11 Ru1 N7 C10 -94.4(2) . . . . ?
N5 Ru1 N7 C10 -1.5(2) . . . . ?
N1 Ru1 N7 C12 -114.2(5) . . . . ?
N9 Ru1 N7 C12 21.7(3) . . . . ?
N3 Ru1 N7 C12 -72.1(3) . . . . ?
N11 Ru1 N7 C12 100.3(3) . . . . ?
N5 Ru1 N7 C12 -166.8(4) . . . . ?
N1 Ru1 N9 C15 -90.6(2) . . . . ?
N7 Ru1 N9 C15 97.2(2) . . . . ?
N3 Ru1 N9 C15 -168.4(2) . . . . ?
N11 Ru1 N9 C15 1.5(2) . . . . ?
N5 Ru1 N9 C15 48.1(6) . . . . ?
N1 Ru1 N9 C13 99.7(4) . . . . ?
N7 Ru1 N9 C13 -72.5(4) . . . . ?
N3 Ru1 N9 C13 21.9(4) . . . . ?
N11 Ru1 N9 C13 -168.2(4) . . . . ?
N5 Ru1 N9 C13 -121.6(6) . . . . ?
N1 Ru1 N11 C16 86.0(2) . . . . ?
N9 Ru1 N11 C16 -6.4(2) . . . . ?
N7 Ru1 N11 C16 -100.3(2) . . . . ?
N3 Ru1 N11 C16 44.2(6) . . . . ?
N5 Ru1 N11 C16 -178.3(2) . . . . ?
N1 Ru1 N11 C18 -77.5(4) . . . . ?
N9 Ru1 N11 C18 -169.9(4) . . . . ?
N7 Ru1 N11 C18 96.2(4) . . . . ?
N3 Ru1 N11 C18 -119.3(5) . . . . ?
N5 Ru1 N11 C18 18.2(4) . . . . ?
C3 N1 C1 C2 1.3(4) . . . . ?
Ru1 N1 C1 C2 171.4(3) . . . . ?
N1 C1 C2 N2 -0.1(5) . . . . ?
C3 N2 C2 C1 -1.1(5) . . . . ?
C1 N1 C3 N2 -2.0(4) . . . . ?
Ru1 N1 C3 N2 -174.7(2) . . . . ?
C1 N1 C3 C4 178.9(3) . . . . ?
Ru1 N1 C3 C4 6.2(4) . . . . ?
C2 N2 C3 N1 2.0(4) . . . . ?
C2 N2 C3 C4 -179.1(4) . . . . ?
C6 N3 C4 N4 -0.7(4) . . . . ?
Ru1 N3 C4 N4 -172.0(2) . . . . ?
C6 N3 C4 C3 175.3(3) . . . . ?
Ru1 N3 C4 C3 4.0(4) . . . . ?
C5 N4 C4 N3 1.4(4) . . . . ?
C5 N4 C4 C3 -173.7(4) . . . . ?
N1 C3 C4 N3 -6.8(4) . . . . ?
N2 C3 C4 N3 174.4(4) . . . . ?
N1 C3 C4 N4 168.2(3) . . . . ?
N2 C3 C4 N4 -10.7(7) . . . . ?
C4 N4 C5 C6 -1.6(4) . . . . ?
N4 C5 C6 N3 1.1(5) . . . . ?
C4 N3 C6 C5 -0.3(4) . . . . ?
Ru1 N3 C6 C5 167.9(3) . . . . ?
C9 N5 C7 C8 -1.1(4) . . . . ?
Ru1 N5 C7 C8 171.7(3) . . . . ?
C9 N6 C8 C7 -1.1(4) . . . . ?
N5 C7 C8 N6 1.4(5) . . . . ?
C7 N5 C9 N6 0.5(4) . . . . ?
Ru1 N5 C9 N6 -174.3(2) . . . . ?
C7 N5 C9 C10 -179.6(3) . . . . ?
Ru1 N5 C9 C10 5.7(4) . . . . ?
C8 N6 C9 N5 0.4(4) . . . . ?
C8 N6 C9 C10 -179.6(4) . . . . ?
C12 N7 C10 N8 -0.1(4) . . . . ?
Ru1 N7 C10 N8 -170.0(2) . . . . ?
C12 N7 C10 C9 174.9(3) . . . . ?
Ru1 N7 C10 C9 4.9(4) . . . . ?
C11 N8 C10 N7 0.4(4) . . . . ?
C11 N8 C10 C9 -173.3(4) . . . . ?
N5 C9 C10 N7 -7.1(4) . . . . ?
N6 C9 C10 N7 172.9(3) . . . . ?
N5 C9 C10 N8 166.5(3) . . . . ?
N6 C9 C10 N8 -13.6(6) . . . . ?
C10 N8 C11 C12 -0.7(4) . . . . ?
N8 C11 C12 N7 0.6(4) . . . . ?
C10 N7 C12 C11 -0.4(4) . . . . ?
Ru1 N7 C12 C11 165.9(3) . . . . ?
C15 N9 C13 C14 -0.8(4) . . . . ?
Ru1 N9 C13 C14 169.6(3) . . . . ?
N9 C13 C14 N10 0.6(5) . . . . ?
C15 N10 C14 C13 -0.1(5) . . . . ?
C13 N9 C15 N10 0.7(4) . . . . ?
Ru1 N9 C15 N10 -172.2(2) . . . . ?
C13 N9 C15 C16 176.2(3) . . . . ?
Ru1 N9 C15 C16 3.2(4) . . . . ?
C14 N10 C15 N9 -0.4(4) . . . . ?
C14 N10 C15 C16 -174.8(4) . . . . ?
C18 N11 C16 N12 -1.0(4) . . . . ?
Ru1 N11 C16 N12 -169.8(2) . . . . ?
C18 N11 C16 C15 178.9(3) . . . . ?
Ru1 N11 C16 C15 10.1(4) . . . . ?
C17 N12 C16 N11 1.2(4) . . . . ?
C17 N12 C16 C15 -178.6(4) . . . . ?
N9 C15 C16 N11 -8.9(5) . . . . ?
N10 C15 C16 N11 165.3(3) . . . . ?
N9 C15 C16 N12 170.8(3) . . . . ?
N10 C15 C16 N12 -14.9(7) . . . . ?
C16 N12 C17 C18 -0.9(5) . . . . ?
N12 C17 C18 N11 0.3(5) . . . . ?
C16 N11 C18 C17 0.4(4) . . . . ?
Ru1 N11 C18 C17 164.9(3) . . . . ?
