#------------------------------------------------------------------------------
#$Date: 2022-09-08 04:22:38 +0300 (Thu, 08 Sep 2022) $
#$Revision: 277732 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/54/7245458.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_7245458
loop_
_publ_author_name
'Toyama, Mari'
'Hasegawa, Tomoki'
'Nagao, Noriharu'
_publ_section_title
;
 Colorimetric fluoride detection in dimethyl sulfoxide using a
 heteroleptic ruthenium(ii) complex with amino and amide groups: X-ray
 crystallographic and spectroscopic analyses
;
_journal_issue                   39
_journal_name_full               'RSC Advances'
_journal_page_first              25227
_journal_page_last               25239
_journal_paper_doi               10.1039/D2RA03593F
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'C26 H29 Cl2 N8 O3.5 Ru'
_chemical_formula_sum            'C26 H29 Cl2 N8 O3.5 Ru'
_chemical_formula_weight         681.54
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2022-08-01 deposited with the CCDC.	2022-08-21 downloaded from the CCDC.
;
_cell_angle_alpha                99.448(2)
_cell_angle_beta                 102.616(2)
_cell_angle_gamma                99.741(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1020(2)
_cell_length_b                   10.5348(3)
_cell_length_c                   17.4020(4)
_cell_measurement_reflns_used    8789
_cell_measurement_temperature    173
_cell_measurement_theta_max      74.78
_cell_measurement_theta_min      4.37
_cell_volume                     1569.40(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2014 (Burla, et al., 2014)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Rigaku XtaLAB PRO'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0880
_diffrn_reflns_av_unetI/netI     0.0758
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15666
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.287
_diffrn_reflns_theta_min         4.355
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.967
_exptl_absorpt_correction_T_max  0.742
_exptl_absorpt_correction_T_min  0.472
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.20a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             694.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.11
_refine_diff_density_min         -2.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     349
_refine_ls_number_reflns         6216
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0787
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1211P)²+4.8886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2069
_refine_ls_wR_factor_ref         0.2118
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5625
_reflns_number_total             6216
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d2ra03593f2.cif
_cod_data_source_block           '[Ru(Hdpa)2(H2pia)]Cl2'
_cod_database_code               7245458
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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
Ru1 Ru 0.13936(5) 0.21624(4) 0.25773(2) 0.03326(17) Uani 1 1 d . . . . .
Cl1 Cl -0.12088(18) 0.36055(17) 0.56590(9) 0.0453(4) Uani 1 1 d . . . . .
Cl2 Cl 0.4890(2) 0.25975(18) -0.01623(10) 0.0539(4) Uani 1 1 d . . . . .
O1 O 0.0217(5) 0.1397(4) 0.1366(2) 0.0386(9) Uani 1 1 d . . . . .
N1 N 0.3185(6) 0.1290(5) 0.2356(3) 0.0363(10) Uani 1 1 d . . . . .
N2 N 0.3513(6) 0.2565(5) 0.1382(3) 0.0388(11) Uani 1 1 d D . . . .
N3 N 0.2526(6) 0.3843(5) 0.2316(3) 0.0338(10) Uani 1 1 d . . . . .
N4 N 0.2443(6) 0.2831(5) 0.3781(3) 0.0335(10) Uani 1 1 d . . . . .
N5 N 0.0034(6) 0.2918(5) 0.4108(3) 0.0372(11) Uani 1 1 d D . . . .
N6 N -0.0433(6) 0.3036(5) 0.2736(3) 0.0352(10) Uani 1 1 d . . . . .
N7 N 0.0159(6) 0.0363(5) 0.2638(3) 0.0372(10) Uani 1 1 d . . . . .
N8 N -0.1703(7) -0.0194(6) 0.0531(3) 0.0517(14) Uani 1 1 d . . . . .
H8A H -0.1718 0.0236 0.0137 0.062 Uiso 1 1 calc R U . . .
H8B H -0.2344 -0.0956 0.0453 0.062 Uiso 1 1 calc R U . . .
C1 C 0.3843(7) 0.1551(6) 0.1764(4) 0.0389(13) Uani 1 1 d . . . . .
C2 C 0.4896(8) 0.0843(7) 0.1526(4) 0.0484(16) Uani 1 1 d . . . . .
H2 H 0.5338 0.1036 0.1101 0.058 Uiso 1 1 calc R U . . .
C3 C 0.5282(9) -0.0132(7) 0.1915(5) 0.0531(17) Uani 1 1 d . . . . .
H3 H 0.5949 -0.0655 0.1740 0.064 Uiso 1 1 calc R U . . .
C4 C 0.4700(9) -0.0348(7) 0.2557(4) 0.0496(16) Uani 1 1 d . . . . .
H4 H 0.5021 -0.0967 0.2861 0.060 Uiso 1 1 calc R U . . .
C5 C 0.3637(7) 0.0356(6) 0.2750(4) 0.0412(13) Uani 1 1 d . . . . .
H5 H 0.3200 0.0179 0.3180 0.049 Uiso 1 1 calc R U . . .
C6 C 0.3241(7) 0.3760(6) 0.1712(3) 0.0358(12) Uani 1 1 d . . . . .
C7 C 0.3728(8) 0.4860(7) 0.1406(4) 0.0454(14) Uani 1 1 d . . . . .
H7 H 0.4182 0.4769 0.0963 0.054 Uiso 1 1 calc R U . . .
C8 C 0.3543(9) 0.6082(7) 0.1755(4) 0.0495(16) Uani 1 1 d . . . . .
H8 H 0.3861 0.6840 0.1553 0.059 Uiso 1 1 calc R U . . .
C9 C 0.2882(8) 0.6184(7) 0.2407(4) 0.0464(15) Uani 1 1 d . . . . .
H9 H 0.2768 0.7015 0.2668 0.056 Uiso 1 1 calc R U . . .
C10 C 0.2399(7) 0.5063(6) 0.2664(4) 0.0396(13) Uani 1 1 d . . . . .
H10 H 0.1951 0.5139 0.3109 0.048 Uiso 1 1 calc R U . . .
C11 C 0.1617(6) 0.3030(6) 0.4334(3) 0.0324(11) Uani 1 1 d . . . . .
C12 C 0.2319(7) 0.3328(6) 0.5162(4) 0.0399(13) Uani 1 1 d . . . . .
H12 H 0.1715 0.3448 0.5539 0.048 Uiso 1 1 calc R U . . .
C13 C 0.3882(7) 0.3444(6) 0.5429(4) 0.0419(13) Uani 1 1 d . . . . .
H13 H 0.4366 0.3618 0.5988 0.050 Uiso 1 1 calc R U . . .
C14 C 0.4741(7) 0.3301(6) 0.4861(4) 0.0405(13) Uani 1 1 d . . . . .
H14 H 0.5827 0.3401 0.5027 0.049 Uiso 1 1 calc R U . . .
C15 C 0.3994(7) 0.3013(6) 0.4061(4) 0.0405(13) Uani 1 1 d . . . . .
H15 H 0.4594 0.2935 0.3679 0.049 Uiso 1 1 calc R U . . .
C16 C -0.0824(7) 0.3224(6) 0.3434(3) 0.0339(11) Uani 1 1 d . . . . .
C17 C -0.2157(7) 0.3705(6) 0.3504(4) 0.0396(13) Uani 1 1 d . . . . .
H17 H -0.2464 0.3778 0.3995 0.048 Uiso 1 1 calc R U . . .
C18 C -0.2995(7) 0.4062(7) 0.2857(4) 0.0424(14) Uani 1 1 d . . . . .
H18 H -0.3883 0.4406 0.2894 0.051 Uiso 1 1 calc R U . . .
C19 C -0.2539(7) 0.3920(7) 0.2140(4) 0.0450(14) Uani 1 1 d . . . . .
H19 H -0.3097 0.4181 0.1685 0.054 Uiso 1 1 calc R U . . .
C20 C -0.1287(7) 0.3403(7) 0.2102(4) 0.0410(13) Uani 1 1 d . . . . .
H20 H -0.0993 0.3291 0.1608 0.049 Uiso 1 1 calc R U . . .
C21 C -0.0707(7) -0.0406(6) 0.1916(4) 0.0405(13) Uani 1 1 d . . . . .
C22 C -0.1434(9) -0.1689(7) 0.1825(5) 0.0550(17) Uani 1 1 d . . . . .
H22 H -0.1984 -0.2195 0.1307 0.066 Uiso 1 1 calc R U . . .
C23 C -0.1356(10) -0.2241(8) 0.2504(6) 0.068(2) Uani 1 1 d . . . . .
H23 H -0.1858 -0.3129 0.2456 0.081 Uiso 1 1 calc R U . . .
C24 C -0.0552(10) -0.1494(8) 0.3238(6) 0.061(2) Uani 1 1 d . . . . .
H24 H -0.0493 -0.1852 0.3707 0.074 Uiso 1 1 calc R U . . .
C25 C 0.0191(8) -0.0185(7) 0.3293(4) 0.0439(14) Uani 1 1 d . . . . .
H25 H 0.0735 0.0334 0.3808 0.053 Uiso 1 1 calc R U . . .
C26 C -0.0713(7) 0.0306(6) 0.1242(4) 0.0403(13) Uani 1 1 d . . . . .
H2A H 0.382(8) 0.256(7) 0.095(3) 0.046 Uiso 1 1 d D U . . .
H5A H -0.026(8) 0.295(7) 0.455(3) 0.044 Uiso 1 1 d D U . . .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.3639 0.7018
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0311 0.0180
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0492 0.0322
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru 0.0552 3.2960
;
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)
;
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 Ru1 N3 90.86(19) . . ?
N4 Ru1 N7 98.4(2) . . ?
N3 Ru1 N7 170.59(19) . . ?
N4 Ru1 N1 93.34(19) . . ?
N3 Ru1 N1 87.40(19) . . ?
N7 Ru1 N1 90.26(19) . . ?
N4 Ru1 N6 89.44(19) . . ?
N3 Ru1 N6 91.50(19) . . ?
N7 Ru1 N6 90.4(2) . . ?
N1 Ru1 N6 177.03(18) . . ?
N4 Ru1 O1 176.43(18) . . ?
N3 Ru1 O1 92.52(18) . . ?
N7 Ru1 O1 78.29(19) . . ?
N1 Ru1 O1 87.95(18) . . ?
N6 Ru1 O1 89.34(17) . . ?
C26 O1 Ru1 114.5(4) . . ?
C1 N1 C5 117.6(5) . . ?
C1 N1 Ru1 120.5(4) . . ?
C5 N1 Ru1 121.6(4) . . ?
C6 N2 C1 128.1(5) . . ?
C6 N2 H2A 114(5) . . ?
C1 N2 H2A 114(5) . . ?
C6 N3 C10 117.5(5) . . ?
C6 N3 Ru1 120.5(4) . . ?
C10 N3 Ru1 121.3(4) . . ?
C11 N4 C15 117.3(5) . . ?
C11 N4 Ru1 121.6(4) . . ?
C15 N4 Ru1 121.0(4) . . ?
C16 N5 C11 127.9(5) . . ?
C16 N5 H5A 122(5) . . ?
C11 N5 H5A 106(5) . . ?
C16 N6 C20 118.4(5) . . ?
C16 N6 Ru1 122.5(4) . . ?
C20 N6 Ru1 119.0(4) . . ?
C25 N7 C21 116.3(5) . . ?
C25 N7 Ru1 128.0(5) . . ?
C21 N7 Ru1 115.5(4) . . ?
C26 N8 H8A 120.0 . . ?
C26 N8 H8B 120.0 . . ?
H8A N8 H8B 120.0 . . ?
N1 C1 N2 120.1(5) . . ?
N1 C1 C2 121.7(6) . . ?
N2 C1 C2 118.2(6) . . ?
C3 C2 C1 119.2(7) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C4 C3 C2 119.6(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 118.4(7) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 123.2(6) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
N3 C6 N2 120.0(5) . . ?
N3 C6 C7 121.9(5) . . ?
N2 C6 C7 118.2(5) . . ?
C8 C7 C6 119.3(6) . . ?
C8 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
C7 C8 C9 119.0(6) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C10 C9 C8 118.6(6) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
N3 C10 C9 123.6(6) . . ?
N3 C10 H10 118.2 . . ?
C9 C10 H10 118.2 . . ?
N4 C11 N5 121.7(5) . . ?
N4 C11 C12 121.5(5) . . ?
N5 C11 C12 116.9(5) . . ?
C13 C12 C11 120.0(6) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 118.5(6) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 H13 120.7 . . ?
C15 C14 C13 118.9(6) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N4 C15 C14 123.7(6) . . ?
N4 C15 H15 118.1 . . ?
C14 C15 H15 118.1 . . ?
N6 C16 N5 121.0(5) . . ?
N6 C16 C17 121.3(5) . . ?
N5 C16 C17 117.7(5) . . ?
C18 C17 C16 118.9(6) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 119.4(5) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C20 C19 C18 118.8(6) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
C19 C20 N6 123.0(6) . . ?
C19 C20 H20 118.5 . . ?
N6 C20 H20 118.5 . . ?
C22 C21 N7 123.6(6) . . ?
C22 C21 C26 124.4(6) . . ?
N7 C21 C26 112.0(5) . . ?
C21 C22 C23 119.0(7) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C24 C23 C22 119.2(7) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C25 119.3(7) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
N7 C25 C24 122.5(7) . . ?
N7 C25 H25 118.7 . . ?
C24 C25 H25 118.7 . . ?
O1 C26 N8 121.0(6) . . ?
O1 C26 C21 118.9(5) . . ?
N8 C26 C21 120.1(6) . . ?
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 N4 2.052(5) . ?
Ru1 N3 2.063(5) . ?
Ru1 N7 2.065(5) . ?
Ru1 N1 2.078(5) . ?
Ru1 N6 2.079(5) . ?
Ru1 O1 2.098(4) . ?
O1 C26 1.262(8) . ?
N1 C1 1.342(8) . ?
N1 C5 1.358(8) . ?
N2 C6 1.381(8) . ?
N2 C1 1.388(8) . ?
N2 H2A 0.85(2) . ?
N3 C6 1.349(7) . ?
N3 C10 1.363(8) . ?
N4 C11 1.355(7) . ?
N4 C15 1.358(8) . ?
N5 C16 1.377(7) . ?
N5 C11 1.387(7) . ?
N5 H5A 0.86(2) . ?
N6 C16 1.333(7) . ?
N6 C20 1.356(7) . ?
N7 C25 1.357(7) . ?
N7 C21 1.368(8) . ?
N8 C26 1.326(8) . ?
N8 H8A 0.8800 . ?
N8 H8B 0.8800 . ?
C1 C2 1.400(8) . ?
C2 C3 1.372(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.372(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(9) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.398(9) . ?
C7 C8 1.385(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.393(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.368(9) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.402(8) . ?
C12 C13 1.374(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.391(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.369(9) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.413(8) . ?
C17 C18 1.362(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.353(9) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.368(9) . ?
C21 C26 1.491(9) . ?
C22 C23 1.395(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.360(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.407(10) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N2 H2A Cl2 . . . 3.206(6) 0.85(6) 2.36(6) 175(6) no
N5 H5A Cl1 . . . 3.172(6) 0.86(6) 2.34(6) 164(7) no
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
C5 N1 C1 N2 -175.1(6) . . . . ?
Ru1 N1 C1 N2 10.6(8) . . . . ?
C5 N1 C1 C2 3.4(9) . . . . ?
Ru1 N1 C1 C2 -170.8(5) . . . . ?
C6 N2 C1 N1 35.4(10) . . . . ?
C6 N2 C1 C2 -143.2(7) . . . . ?
N1 C1 C2 C3 -0.9(11) . . . . ?
N2 C1 C2 C3 177.7(7) . . . . ?
C1 C2 C3 C4 -3.6(11) . . . . ?
C2 C3 C4 C5 5.3(11) . . . . ?
C1 N1 C5 C4 -1.7(10) . . . . ?
Ru1 N1 C5 C4 172.5(5) . . . . ?
C3 C4 C5 N1 -2.7(11) . . . . ?
C10 N3 C6 N2 174.8(5) . . . . ?
Ru1 N3 C6 N2 -14.2(7) . . . . ?
C10 N3 C6 C7 -5.0(9) . . . . ?
Ru1 N3 C6 C7 166.0(5) . . . . ?
C1 N2 C6 N3 -33.4(9) . . . . ?
C1 N2 C6 C7 146.4(6) . . . . ?
N3 C6 C7 C8 3.2(10) . . . . ?
N2 C6 C7 C8 -176.6(6) . . . . ?
C6 C7 C8 C9 0.4(11) . . . . ?
C7 C8 C9 C10 -1.9(11) . . . . ?
C6 N3 C10 C9 3.5(9) . . . . ?
Ru1 N3 C10 C9 -167.5(5) . . . . ?
C8 C9 C10 N3 -0.1(11) . . . . ?
C15 N4 C11 N5 177.6(5) . . . . ?
Ru1 N4 C11 N5 -6.4(7) . . . . ?
C15 N4 C11 C12 -4.1(8) . . . . ?
Ru1 N4 C11 C12 171.9(5) . . . . ?
C16 N5 C11 N4 -33.7(9) . . . . ?
C16 N5 C11 C12 147.9(6) . . . . ?
N4 C11 C12 C13 1.1(9) . . . . ?
N5 C11 C12 C13 179.5(6) . . . . ?
C11 C12 C13 C14 1.9(10) . . . . ?
C12 C13 C14 C15 -1.9(10) . . . . ?
C11 N4 C15 C14 4.2(9) . . . . ?
Ru1 N4 C15 C14 -171.8(5) . . . . ?
C13 C14 C15 N4 -1.3(10) . . . . ?
C20 N6 C16 N5 -177.5(6) . . . . ?
Ru1 N6 C16 N5 4.0(8) . . . . ?
C20 N6 C16 C17 4.5(9) . . . . ?
Ru1 N6 C16 C17 -173.9(4) . . . . ?
C11 N5 C16 N6 34.9(9) . . . . ?
C11 N5 C16 C17 -147.1(6) . . . . ?
N6 C16 C17 C18 -4.4(9) . . . . ?
N5 C16 C17 C18 177.6(6) . . . . ?
C16 C17 C18 C19 1.3(10) . . . . ?
C17 C18 C19 C20 1.3(10) . . . . ?
C18 C19 C20 N6 -1.2(11) . . . . ?
C16 N6 C20 C19 -1.7(10) . . . . ?
Ru1 N6 C20 C19 176.8(5) . . . . ?
C25 N7 C21 C22 -4.2(9) . . . . ?
Ru1 N7 C21 C22 171.1(5) . . . . ?
C25 N7 C21 C26 177.8(5) . . . . ?
Ru1 N7 C21 C26 -6.9(6) . . . . ?
N7 C21 C22 C23 2.9(11) . . . . ?
C26 C21 C22 C23 -179.4(7) . . . . ?
C21 C22 C23 C24 -0.4(13) . . . . ?
C22 C23 C24 C25 -0.5(13) . . . . ?
C21 N7 C25 C24 3.3(9) . . . . ?
Ru1 N7 C25 C24 -171.4(5) . . . . ?
C23 C24 C25 N7 -1.0(12) . . . . ?
Ru1 O1 C26 N8 169.5(5) . . . . ?
Ru1 O1 C26 C21 -9.2(7) . . . . ?
C22 C21 C26 O1 -167.1(6) . . . . ?
N7 C21 C26 O1 10.9(8) . . . . ?
C22 C21 C26 N8 14.2(10) . . . . ?
N7 C21 C26 N8 -167.9(6) . . . . ?
