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#$Date: 2022-08-03 01:54:39 +0300 (Wed, 03 Aug 2022) $
#$Revision: 277047 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/08/7710880.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_7710880
loop_
_publ_author_name
'Kim, Minyoung'
'Park, Seongchul'
'Song, Dayoon'
'Moon, Dohyun'
'You, Youngmin'
'Lim, Manho'
'Lee, Hong-In'
_publ_section_title
;
 Visible-light NO photolysis of ruthenium nitrosyl complexes with
 N₂O₂ ligands bearing π-extended rings and their
 photorelease dynamics.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11404
_journal_page_last               11415
_journal_paper_doi               10.1039/d2dt01019d
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C28 H18 Cl N3 O3 Ru, C2 H3 N'
_chemical_formula_sum            'C30 H21 Cl N4 O3 Ru'
_chemical_formula_weight         622.03
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2022-06-03 deposited with the CCDC.	2022-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                94.94(3)
_cell_angle_beta                 113.97(3)
_cell_angle_gamma                98.24(3)
_cell_formula_units_Z            2
_cell_length_a                   10.532(2)
_cell_length_b                   11.190(2)
_cell_length_c                   12.057(2)
_cell_measurement_reflns_used    24109
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      33.548
_cell_measurement_theta_min      0.361
_cell_volume                     1268.5(5)
_computing_cell_refinement       'HKL3000sm(Otwinowski & Minor, 1997)'
_computing_data_collection
'PAL BL2D-SMDC Program(Shin et.al, 2016)'
_computing_data_reduction        'HKL3000sm(Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND 4(Putx&Brandenburg, 2014)'
_computing_publication_material  'publCIF(Westrip, 2010)'
_computing_structure_refinement  'SHELXL-2019/2(Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018(Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_Laue_measured_fraction_full 0.924
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11849
_diffrn_reflns_point_group_measured_fraction_full 0.924
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_min         1.651
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.548
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_description       cubic
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         3.202
_refine_diff_density_min         -1.917
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0523P)²+3.7806P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1268
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6185
_reflns_number_total             6856
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01019d2.cif
_cod_data_source_block           Ru_ONnaphophenCl_a
_cod_database_code               7710880
_shelx_shelxl_version_number     2019/2
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.922
_shelx_estimated_absorpt_t_max   0.942
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.30135(3) 0.74705(2) 0.72071(2) 0.02004(8) Uani 1 1 d . . . . .
Cl1 Cl 0.07322(9) 0.78047(6) 0.66634(7) 0.02501(16) Uani 1 1 d . . . . .
O1 O 0.4844(3) 0.71958(17) 0.76928(19) 0.0195(4) Uani 1 1 d . . . . .
O2 O 0.3669(3) 0.91388(17) 0.82733(19) 0.0198(4) Uani 1 1 d . . . . .
O3 O 0.2824(3) 0.66992(18) 0.86122(18) 0.0201(4) Uani 1 1 d . . . . .
N1 N 0.5880(4) 0.6991(3) 0.7950(3) 0.0312(6) Uani 1 1 d . . . . .
N2 N 0.2953(3) 0.8168(2) 0.5713(2) 0.0169(5) Uani 1 1 d . . . . .
N3 N 0.2169(3) 0.5893(2) 0.6024(2) 0.0175(5) Uani 1 1 d . . . . .
C1 C 0.3860(3) 1.0168(2) 0.7872(3) 0.0179(5) Uani 1 1 d . . . . .
C2 C 0.4306(4) 1.1230(3) 0.8794(3) 0.0201(6) Uani 1 1 d . . . . .
H2 H 0.442429 1.112972 0.960256 0.024 Uiso 1 1 calc R U . . .
C3 C 0.4564(4) 1.2371(3) 0.8541(3) 0.0204(6) Uani 1 1 d . . . . .
H3 H 0.486067 1.305323 0.917594 0.024 Uiso 1 1 calc R U . . .
C4 C 0.4401(3) 1.2573(2) 0.7343(3) 0.0179(5) Uani 1 1 d . . . . .
C5 C 0.4679(4) 1.3777(2) 0.7112(3) 0.0208(6) Uani 1 1 d . . . . .
H5 H 0.500952 1.444467 0.776630 0.025 Uiso 1 1 calc R U . . .
C6 C 0.4477(4) 1.3997(3) 0.5954(3) 0.0230(6) Uani 1 1 d . . . . .
H6 H 0.466280 1.480945 0.580558 0.028 Uiso 1 1 calc R U . . .
C7 C 0.3993(4) 1.3007(3) 0.4997(3) 0.0242(6) Uani 1 1 d . . . . .
H7 H 0.383883 1.315339 0.419144 0.029 Uiso 1 1 calc R U . . .
C8 C 0.3736(4) 1.1815(3) 0.5205(3) 0.0224(6) Uani 1 1 d . . . . .
H8 H 0.342050 1.115853 0.454156 0.027 Uiso 1 1 calc R U . . .
C9 C 0.3933(3) 1.1557(2) 0.6384(3) 0.0175(5) Uani 1 1 d . . . . .
C10 C 0.3661(3) 1.0321(2) 0.6654(3) 0.0174(5) Uani 1 1 d . . . . .
C11 C 0.3228(3) 0.9335(2) 0.5675(3) 0.0182(5) Uani 1 1 d . . . . .
H11 H 0.312449 0.954929 0.490171 0.022 Uiso 1 1 calc R U . . .
C12 C 0.2485(3) 0.7246(2) 0.4668(2) 0.0167(5) Uani 1 1 d . . . . .
C13 C 0.2425(4) 0.7467(3) 0.3528(3) 0.0199(6) Uani 1 1 d . . . . .
H13 H 0.272522 0.827234 0.341776 0.024 Uiso 1 1 calc R U . . .
C14 C 0.1928(4) 0.6510(3) 0.2558(3) 0.0213(6) Uani 1 1 d . . . . .
H14 H 0.187390 0.666524 0.177866 0.026 Uiso 1 1 calc R U . . .
C15 C 0.1507(4) 0.5323(3) 0.2712(3) 0.0217(6) Uani 1 1 d . . . . .
H15 H 0.116552 0.467425 0.203847 0.026 Uiso 1 1 calc R U . . .
C16 C 0.1584(4) 0.5084(2) 0.3844(3) 0.0199(6) Uani 1 1 d . . . . .
H16 H 0.131484 0.426990 0.395062 0.024 Uiso 1 1 calc R U . . .
C17 C 0.2056(3) 0.6042(2) 0.4826(2) 0.0168(5) Uani 1 1 d . . . . .
C18 C 0.1763(3) 0.4847(2) 0.6305(3) 0.0179(5) Uani 1 1 d . . . . .
H18 H 0.135188 0.417056 0.565445 0.021 Uiso 1 1 calc R U . . .
C19 C 0.1871(3) 0.4609(2) 0.7481(3) 0.0176(5) Uani 1 1 d . . . . .
C20 C 0.1407(3) 0.3338(2) 0.7584(3) 0.0168(5) Uani 1 1 d . . . . .
C21 C 0.0967(4) 0.2348(3) 0.6609(3) 0.0200(6) Uani 1 1 d . . . . .
H21 H 0.097669 0.249881 0.584894 0.024 Uiso 1 1 calc R U . . .
C22 C 0.0524(4) 0.1169(3) 0.6744(3) 0.0226(6) Uani 1 1 d . . . . .
H22 H 0.022760 0.052445 0.607242 0.027 Uiso 1 1 calc R U . . .
C23 C 0.0504(4) 0.0905(3) 0.7851(3) 0.0246(6) Uani 1 1 d . . . . .
H23 H 0.018132 0.009252 0.792821 0.030 Uiso 1 1 calc R U . . .
C24 C 0.0960(4) 0.1841(3) 0.8826(3) 0.0233(6) Uani 1 1 d . . . . .
H24 H 0.096630 0.166811 0.958542 0.028 Uiso 1 1 calc R U . . .
C25 C 0.1418(4) 0.3058(2) 0.8712(3) 0.0194(5) Uani 1 1 d . . . . .
C26 C 0.1885(4) 0.4017(3) 0.9728(3) 0.0217(6) Uani 1 1 d . . . . .
H26 H 0.187893 0.383231 1.048028 0.026 Uiso 1 1 calc R U . . .
C27 C 0.2340(4) 0.5192(3) 0.9645(3) 0.0214(6) Uani 1 1 d . . . . .
H27 H 0.266090 0.580521 1.034661 0.026 Uiso 1 1 calc R U . . .
C28 C 0.2349(3) 0.5529(2) 0.8527(3) 0.0182(5) Uani 1 1 d . . . . .
N4 N 0.7128(5) 0.9714(4) 0.7830(4) 0.0574(11) Uani 1 1 d . . . . .
C29 C 0.7493(5) 1.0339(4) 0.8746(4) 0.0351(8) Uani 1 1 d . . . . .
C30 C 0.7958(5) 1.1139(4) 0.9897(4) 0.0370(9) Uani 1 1 d . . . . .
H30A H 0.899349 1.137493 1.027418 0.055 Uiso 1 1 calc R U . . .
H30B H 0.765150 1.071346 1.044992 0.055 Uiso 1 1 calc R U . . .
H30C H 0.754394 1.187293 0.975019 0.055 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0021 0.0012 '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 0.0044 0.0025 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0080 0.0047 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1230 0.1255 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.7757 0.6751 '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
O1 Ru1 N2 94.57(10) . . ?
O1 Ru1 N3 92.76(10) . . ?
N2 Ru1 N3 83.33(10) . . ?
O1 Ru1 O2 93.14(10) . . ?
N2 Ru1 O2 93.12(9) . . ?
N3 Ru1 O2 173.34(10) . . ?
O1 Ru1 O3 91.35(10) . . ?
N2 Ru1 O3 173.27(10) . . ?
N3 Ru1 O3 93.22(9) . . ?
O2 Ru1 O3 89.73(8) . . ?
O1 Ru1 Cl1 178.13(6) . . ?
N2 Ru1 Cl1 87.24(8) . . ?
N3 Ru1 Cl1 87.92(9) . . ?
O2 Ru1 Cl1 86.29(8) . . ?
O3 Ru1 Cl1 86.87(8) . . ?
N1 O1 Ru1 177.1(2) . . ?
C1 O2 Ru1 123.95(18) . . ?
C28 O3 Ru1 123.61(17) . . ?
C11 N2 C12 123.4(2) . . ?
C11 N2 Ru1 124.37(19) . . ?
C12 N2 Ru1 112.11(17) . . ?
C18 N3 C17 123.4(2) . . ?
C18 N3 Ru1 124.55(19) . . ?
C17 N3 Ru1 112.03(17) . . ?
O2 C1 C10 127.2(3) . . ?
O2 C1 C2 113.7(2) . . ?
C10 C1 C2 119.0(2) . . ?
C3 C2 C1 121.7(3) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C2 C3 C4 121.5(3) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C9 120.6(3) . . ?
C5 C4 C3 119.9(3) . . ?
C9 C4 C3 119.4(2) . . ?
C6 C5 C4 121.0(3) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C5 C6 C7 119.1(3) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 H6 120.5 . . ?
C8 C7 C6 121.0(3) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 121.3(3) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C8 C9 C4 117.0(2) . . ?
C8 C9 C10 123.7(3) . . ?
C4 C9 C10 119.3(2) . . ?
C11 C10 C1 123.7(2) . . ?
C11 C10 C9 117.3(2) . . ?
C1 C10 C9 119.0(2) . . ?
N2 C11 C10 127.6(2) . . ?
N2 C11 H11 116.2 . . ?
C10 C11 H11 116.2 . . ?
C13 C12 C17 119.6(3) . . ?
C13 C12 N2 124.1(2) . . ?
C17 C12 N2 116.3(2) . . ?
C14 C13 C12 119.8(3) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 120.6(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 119.8(3) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C12 119.7(2) . . ?
C16 C17 N3 124.2(2) . . ?
C12 C17 N3 116.0(2) . . ?
N3 C18 C19 127.1(3) . . ?
N3 C18 H18 116.4 . . ?
C19 C18 H18 116.4 . . ?
C28 C19 C18 123.9(2) . . ?
C28 C19 C20 119.0(2) . . ?
C18 C19 C20 117.1(2) . . ?
C21 C20 C25 117.2(2) . . ?
C21 C20 C19 123.2(2) . . ?
C25 C20 C19 119.6(2) . . ?
C22 C21 C20 121.2(3) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 121.3(3) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 118.9(3) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C23 C24 C25 120.9(3) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C24 C25 C20 120.4(3) . . ?
C24 C25 C26 120.3(3) . . ?
C20 C25 C26 119.3(2) . . ?
C27 C26 C25 121.4(3) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C26 C27 C28 121.8(3) . . ?
C26 C27 H27 119.1 . . ?
C28 C27 H27 119.1 . . ?
O3 C28 C19 127.4(2) . . ?
O3 C28 C27 113.6(2) . . ?
C19 C28 C27 119.0(2) . . ?
N4 C29 C30 179.4(5) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
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 O1 1.854(2) . ?
Ru1 N2 2.005(2) . ?
Ru1 N3 2.007(3) . ?
Ru1 O2 2.027(2) . ?
Ru1 O3 2.0328(19) . ?
Ru1 Cl1 2.3157(11) . ?
O1 N1 1.072(4) . ?
O2 C1 1.307(3) . ?
O3 C28 1.313(3) . ?
N2 C11 1.306(3) . ?
N2 C12 1.421(3) . ?
N3 C18 1.308(3) . ?
N3 C17 1.426(3) . ?
C1 C10 1.427(4) . ?
C1 C2 1.434(4) . ?
C2 C3 1.355(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.426(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.413(4) . ?
C4 C9 1.422(4) . ?
C5 C6 1.373(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.400(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.388(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.412(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.463(4) . ?
C10 C11 1.418(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.396(4) . ?
C12 C17 1.412(4) . ?
C13 C14 1.383(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.392(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.396(4) . ?
C16 H16 0.9500 . ?
C18 C19 1.428(4) . ?
C18 H18 0.9500 . ?
C19 C28 1.420(4) . ?
C19 C20 1.469(4) . ?
C20 C21 1.417(4) . ?
C20 C25 1.417(4) . ?
C21 C22 1.381(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.399(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.416(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.423(4) . ?
C26 C27 1.359(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.434(4) . ?
C27 H27 0.9500 . ?
N4 C29 1.141(6) . ?
C29 C30 1.440(6) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
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
_geom_hbond_publ_flag
C16 H16 Cl1 0.95 2.75 3.600(3) 149.5 2_566 yes
C30 H30B O2 0.98 2.47 3.307(4) 143.3 2_677 yes
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
Ru1 O2 C1 C10 -0.4(4) . . . . ?
Ru1 O2 C1 C2 179.1(2) . . . . ?
O2 C1 C2 C3 179.5(3) . . . . ?
C10 C1 C2 C3 -1.0(5) . . . . ?
C1 C2 C3 C4 0.1(5) . . . . ?
C2 C3 C4 C5 179.9(3) . . . . ?
C2 C3 C4 C9 1.2(5) . . . . ?
C9 C4 C5 C6 1.3(5) . . . . ?
C3 C4 C5 C6 -177.5(3) . . . . ?
C4 C5 C6 C7 -0.2(5) . . . . ?
C5 C6 C7 C8 -0.9(5) . . . . ?
C6 C7 C8 C9 0.9(5) . . . . ?
C7 C8 C9 C4 0.2(5) . . . . ?
C7 C8 C9 C10 179.2(3) . . . . ?
C5 C4 C9 C8 -1.2(4) . . . . ?
C3 C4 C9 C8 177.5(3) . . . . ?
C5 C4 C9 C10 179.7(3) . . . . ?
C3 C4 C9 C10 -1.5(4) . . . . ?
O2 C1 C10 C11 -0.8(5) . . . . ?
C2 C1 C10 C11 179.7(3) . . . . ?
O2 C1 C10 C9 -179.9(3) . . . . ?
C2 C1 C10 C9 0.6(4) . . . . ?
C8 C9 C10 C11 2.5(5) . . . . ?
C4 C9 C10 C11 -178.5(3) . . . . ?
C8 C9 C10 C1 -178.4(3) . . . . ?
C4 C9 C10 C1 0.6(4) . . . . ?
C12 N2 C11 C10 178.2(3) . . . . ?
Ru1 N2 C11 C10 2.5(5) . . . . ?
C1 C10 C11 N2 -0.4(5) . . . . ?
C9 C10 C11 N2 178.8(3) . . . . ?
C11 N2 C12 C13 7.9(5) . . . . ?
Ru1 N2 C12 C13 -176.0(2) . . . . ?
C11 N2 C12 C17 -171.9(3) . . . . ?
Ru1 N2 C12 C17 4.3(3) . . . . ?
C17 C12 C13 C14 0.9(5) . . . . ?
N2 C12 C13 C14 -178.8(3) . . . . ?
C12 C13 C14 C15 -1.0(5) . . . . ?
C13 C14 C15 C16 -0.1(5) . . . . ?
C14 C15 C16 C17 1.4(5) . . . . ?
C15 C16 C17 C12 -1.5(5) . . . . ?
C15 C16 C17 N3 179.8(3) . . . . ?
C13 C12 C17 C16 0.3(5) . . . . ?
N2 C12 C17 C16 -179.9(3) . . . . ?
C13 C12 C17 N3 179.2(3) . . . . ?
N2 C12 C17 N3 -1.1(4) . . . . ?
C18 N3 C17 C16 -4.0(5) . . . . ?
Ru1 N3 C17 C16 176.1(2) . . . . ?
C18 N3 C17 C12 177.2(3) . . . . ?
Ru1 N3 C17 C12 -2.7(3) . . . . ?
C17 N3 C18 C19 178.2(3) . . . . ?
Ru1 N3 C18 C19 -1.9(5) . . . . ?
N3 C18 C19 C28 5.4(5) . . . . ?
N3 C18 C19 C20 -176.9(3) . . . . ?
C28 C19 C20 C21 -177.4(3) . . . . ?
C18 C19 C20 C21 4.8(4) . . . . ?
C28 C19 C20 C25 1.2(4) . . . . ?
C18 C19 C20 C25 -176.6(3) . . . . ?
C25 C20 C21 C22 2.1(5) . . . . ?
C19 C20 C21 C22 -179.3(3) . . . . ?
C20 C21 C22 C23 -0.5(5) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
C22 C23 C24 C25 1.2(5) . . . . ?
C23 C24 C25 C20 0.5(5) . . . . ?
C23 C24 C25 C26 179.9(3) . . . . ?
C21 C20 C25 C24 -2.1(4) . . . . ?
C19 C20 C25 C24 179.3(3) . . . . ?
C21 C20 C25 C26 178.5(3) . . . . ?
C19 C20 C25 C26 -0.2(4) . . . . ?
C24 C25 C26 C27 179.5(3) . . . . ?
C20 C25 C26 C27 -1.0(5) . . . . ?
C25 C26 C27 C28 1.2(5) . . . . ?
Ru1 O3 C28 C19 -1.0(5) . . . . ?
Ru1 O3 C28 C27 178.6(2) . . . . ?
C18 C19 C28 O3 -3.7(5) . . . . ?
C20 C19 C28 O3 178.6(3) . . . . ?
C18 C19 C28 C27 176.6(3) . . . . ?
C20 C19 C28 C27 -1.0(4) . . . . ?
C26 C27 C28 O3 -179.8(3) . . . . ?
C26 C27 C28 C19 -0.1(5) . . . . ?
