#------------------------------------------------------------------------------
#$Date: 2022-08-03 01:54:39 +0300 (Wed, 03 Aug 2022) $
#$Revision: 277047 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/08/7710881.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_7710881
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         'C21 H18 Cl N2 O3 Ru, C H4 O'
_chemical_formula_sum            'C22 H22 Cl N2 O4 Ru'
_chemical_formula_weight         514.93
_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   mixed
_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                109.75(3)
_cell_angle_beta                 102.83(3)
_cell_angle_gamma                102.50(3)
_cell_formula_units_Z            2
_cell_length_a                   7.4300(15)
_cell_length_b                   11.531(2)
_cell_length_c                   13.619(3)
_cell_measurement_reflns_used    31150
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      33.548
_cell_measurement_theta_min      0.361
_cell_volume                     1015.3(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    ORTEP3
_computing_publication_material  CIFTAB
_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 0.950
_diffrn_measured_fraction_theta_max 0.933
_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  0.0259
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.933
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11145
_diffrn_reflns_point_group_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         26.498
_diffrn_reflns_theta_min         1.487
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_description       block
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.825
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5657
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0340
_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)+(0.0569P)²+0.8196P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0966
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5205
_reflns_number_total             5657
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01019d2.cif
_cod_data_source_block           Ru_salophenCl_MeOH_a
_cod_original_cell_volume        1015.3(4)
_cod_database_code               7710881
_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   0.906
_shelx_estimated_absorpt_t_max   0.930
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 0.55109(2) 0.24090(2) 0.57931(2) 0.01040(6) Uani 1 1 d . . . . .
Cl1 Cl 0.37615(7) 0.36170(5) 0.66793(4) 0.01583(10) Uani 1 1 d . . . . .
O1 O 0.3166(2) 0.13030(14) 0.44522(12) 0.0139(3) Uani 1 1 d . . . . .
O2 O 0.4775(2) 0.10646(14) 0.64027(12) 0.0139(3) Uani 1 1 d . . . . .
N1 N 0.6409(2) 0.37328(16) 0.52377(15) 0.0120(3) Uani 1 1 d . . . . .
N2 N 0.7881(2) 0.35195(16) 0.70877(14) 0.0125(3) Uani 1 1 d . . . . .
C1 C 0.2795(3) 0.1536(2) 0.35643(17) 0.0136(4) Uani 1 1 d . . . . .
C2 C 0.1157(3) 0.0618(2) 0.26521(18) 0.0162(4) Uani 1 1 d . . . . .
H2 H 0.040558 -0.011483 0.271805 0.019 Uiso 1 1 calc R U . . .
C3 C 0.0638(3) 0.0764(2) 0.16811(18) 0.0183(4) Uani 1 1 d . . . . .
H3 H -0.045438 0.012918 0.108496 0.022 Uiso 1 1 calc R U . . .
C4 C 0.1707(3) 0.1849(2) 0.15555(18) 0.0188(4) Uani 1 1 d . . . . .
H4 H 0.133969 0.194361 0.087985 0.023 Uiso 1 1 calc R U . . .
C5 C 0.3278(3) 0.2761(2) 0.24200(18) 0.0170(4) Uani 1 1 d . . . . .
H5 H 0.397966 0.349774 0.233918 0.020 Uiso 1 1 calc R U . . .
C6 C 0.3889(3) 0.2636(2) 0.34393(16) 0.0131(4) Uani 1 1 d . . . . .
C7 C 0.5561(3) 0.3663(2) 0.42545(17) 0.0133(4) Uani 1 1 d . . . . .
H7 H 0.610533 0.435432 0.407033 0.016 Uiso 1 1 calc R U . . .
C8 C 0.8144(3) 0.47486(19) 0.59898(17) 0.0127(4) Uani 1 1 d . . . . .
C9 C 0.9049(3) 0.58158(19) 0.58099(18) 0.0153(4) Uani 1 1 d . . . . .
H9 H 0.847450 0.593213 0.516806 0.018 Uiso 1 1 calc R U . . .
C10 C 1.0796(3) 0.67065(19) 0.65767(19) 0.0178(4) Uani 1 1 d . . . . .
H10 H 1.140590 0.744168 0.646234 0.021 Uiso 1 1 calc R U . . .
C11 C 1.1661(3) 0.6535(2) 0.75081(19) 0.0189(4) Uani 1 1 d . . . . .
H11 H 1.287725 0.713916 0.801324 0.023 Uiso 1 1 calc R U . . .
C12 C 1.0765(3) 0.5488(2) 0.77097(18) 0.0168(4) Uani 1 1 d . . . . .
H12 H 1.136147 0.537380 0.834882 0.020 Uiso 1 1 calc R U . . .
C13 C 0.8975(3) 0.46044(18) 0.69609(17) 0.0129(4) Uani 1 1 d . . . . .
C14 C 0.8308(3) 0.3354(2) 0.80029(17) 0.0152(4) Uani 1 1 d . . . . .
H14 H 0.942622 0.397861 0.858770 0.018 Uiso 1 1 calc R U . . .
C15 C 0.7234(3) 0.2307(2) 0.82044(17) 0.0146(4) Uani 1 1 d . . . . .
C16 C 0.7948(3) 0.2358(2) 0.92787(17) 0.0177(4) Uani 1 1 d . . . . .
H16 H 0.904967 0.306710 0.980034 0.021 Uiso 1 1 calc R U . . .
C17 C 0.7104(3) 0.1420(2) 0.95917(18) 0.0194(4) Uani 1 1 d . . . . .
H17 H 0.762302 0.147430 1.031518 0.023 Uiso 1 1 calc R U . . .
C18 C 0.5462(3) 0.0378(2) 0.88263(19) 0.0197(4) Uani 1 1 d . . . . .
H18 H 0.486455 -0.027835 0.903271 0.024 Uiso 1 1 calc R U . . .
C19 C 0.4714(3) 0.0303(2) 0.77802(18) 0.0183(4) Uani 1 1 d . . . . .
H19 H 0.358825 -0.040104 0.727824 0.022 Uiso 1 1 calc R U . . .
C20 C 0.5572(3) 0.1241(2) 0.74336(16) 0.0135(4) Uani 1 1 d . . . . .
O3 O 0.6992(2) 0.13159(14) 0.49576(13) 0.0149(3) Uani 1 1 d D . . . .
H1O3 H 0.6520(18) 0.0548(12) 0.456(2) 0.022 Uiso 1 1 d D U . . .
C21 C 0.9051(3) 0.1519(2) 0.5340(2) 0.0198(4) Uani 1 1 d D . . . .
H21A H 0.942715 0.097201 0.474707 0.030 Uiso 1 1 calc R U . . .
H21B H 0.935690 0.128810 0.597352 0.030 Uiso 1 1 calc R U . . .
H21C H 0.977031 0.243420 0.556031 0.030 Uiso 1 1 calc R U . . .
O1SA O 0.3561(6) 0.4136(4) 0.9074(3) 0.0215(10) Uani 0.439(6) 1 d D . P A 1
H1SA H 0.361000 0.387812 0.842821 0.032 Uiso 0.439(6) 1 calc R U P A 1
C1SA C 0.3093(6) 0.3088(4) 0.9346(4) 0.0745(12) Uani 0.439(6) 1 d D . P A 1
H1S1 H 0.408437 0.265151 0.929529 0.112 Uiso 0.439(6) 1 calc R U P A 1
H1S2 H 0.182142 0.247819 0.883613 0.112 Uiso 0.439(6) 1 calc R U P A 1
H1S3 H 0.303981 0.338878 1.010037 0.112 Uiso 0.439(6) 1 calc R U P A 1
O1SB O 0.3093(6) 0.3088(4) 0.9346(4) 0.0745(12) Uani 0.561(6) 1 d D . P A 2
H1SB H 0.212721 0.241500 0.909862 0.112 Uiso 0.561(6) 1 calc R U P A 2
C1SB C 0.2565(6) 0.4175(4) 0.9851(4) 0.0241(10) Uani 0.561(6) 1 d D . P A 2
H1S4 H 0.197149 0.404464 1.039648 0.036 Uiso 0.561(6) 1 calc R U P A 2
H1S5 H 0.162814 0.429594 0.929358 0.036 Uiso 0.561(6) 1 calc R U P A 2
H1S6 H 0.372528 0.494609 1.021854 0.036 Uiso 0.561(6) 1 calc R U P A 2
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
N1 Ru1 N2 82.98(8) . . ?
N1 Ru1 O1 95.39(7) . . ?
N2 Ru1 O1 178.04(6) . . ?
N1 Ru1 O2 176.28(6) . . ?
N2 Ru1 O2 94.09(7) . . ?
O1 Ru1 O2 87.49(7) . . ?
N1 Ru1 O3 88.50(7) . . ?
N2 Ru1 O3 93.47(7) . . ?
O1 Ru1 O3 85.39(7) . . ?
O2 Ru1 O3 89.39(7) . . ?
N1 Ru1 Cl1 91.10(5) . . ?
N2 Ru1 Cl1 88.32(6) . . ?
O1 Ru1 Cl1 92.81(5) . . ?
O2 Ru1 Cl1 91.10(5) . . ?
O3 Ru1 Cl1 178.11(4) . . ?
C1 O1 Ru1 123.05(13) . . ?
C20 O2 Ru1 123.80(13) . . ?
C7 N1 C8 122.68(18) . . ?
C7 N1 Ru1 123.97(14) . . ?
C8 N1 Ru1 113.28(14) . . ?
C14 N2 C13 122.58(17) . . ?
C14 N2 Ru1 124.16(15) . . ?
C13 N2 Ru1 112.96(14) . . ?
O1 C1 C2 116.73(19) . . ?
O1 C1 C6 125.55(18) . . ?
C2 C1 C6 117.7(2) . . ?
C3 C2 C1 121.6(2) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C2 C3 C4 120.86(19) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 119.2(2) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.8(2) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C7 114.9(2) . . ?
C5 C6 C1 118.79(18) . . ?
C7 C6 C1 126.3(2) . . ?
N1 C7 C6 125.5(2) . . ?
N1 C7 H7 117.2 . . ?
C6 C7 H7 117.2 . . ?
C9 C8 C13 119.94(18) . . ?
C9 C8 N1 124.7(2) . . ?
C13 C8 N1 115.36(18) . . ?
C10 C9 C8 119.4(2) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.7(2) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C10 C11 C12 120.63(19) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C13 119.2(2) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C8 119.94(19) . . ?
C12 C13 N2 124.8(2) . . ?
C8 C13 N2 115.27(17) . . ?
N2 C14 C15 125.72(18) . . ?
N2 C14 H14 117.1 . . ?
C15 C14 H14 117.1 . . ?
C16 C15 C20 118.1(2) . . ?
C16 C15 C14 115.36(18) . . ?
C20 C15 C14 126.5(2) . . ?
C17 C16 C15 122.3(2) . . ?
C17 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C16 C17 C18 119.0(2) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C19 C18 C17 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 121.7(2) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 H19 119.1 . . ?
O2 C20 C19 117.16(18) . . ?
O2 C20 C15 124.4(2) . . ?
C19 C20 C15 118.46(19) . . ?
C21 O3 Ru1 125.44(13) . . ?
C21 O3 H1O3 104.4(10) . . ?
Ru1 O3 H1O3 123.8(14) . . ?
O3 C21 H21A 109.5 . . ?
O3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C1SA O1SA H1SA 109.5 . . ?
O1SA C1SA H1S1 109.5 . . ?
O1SA C1SA H1S2 109.5 . . ?
H1S1 C1SA H1S2 109.5 . . ?
O1SA C1SA H1S3 109.5 . . ?
H1S1 C1SA H1S3 109.5 . . ?
H1S2 C1SA H1S3 109.5 . . ?
C1SB O1SB H1SB 109.5 . . ?
O1SB C1SB H1S4 109.5 . . ?
O1SB C1SB H1S5 109.5 . . ?
H1S4 C1SB H1S5 109.5 . . ?
O1SB C1SB H1S6 109.5 . . ?
H1S4 C1SB H1S6 109.5 . . ?
H1S5 C1SB H1S6 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 N1 1.9776(19) . ?
Ru1 N2 1.992(2) . ?
Ru1 O1 2.0119(18) . ?
Ru1 O2 2.0237(16) . ?
Ru1 O3 2.0692(15) . ?
Ru1 Cl1 2.3305(8) . ?
O1 C1 1.309(3) . ?
O2 C20 1.322(3) . ?
N1 C7 1.314(3) . ?
N1 C8 1.426(3) . ?
N2 C14 1.305(3) . ?
N2 C13 1.422(3) . ?
C1 C2 1.424(3) . ?
C1 C6 1.435(3) . ?
C2 C3 1.371(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.414(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.428(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.428(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.395(3) . ?
C8 C13 1.410(3) . ?
C9 C10 1.388(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.398(3) . ?
C12 H12 0.9500 . ?
C14 C15 1.440(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.418(3) . ?
C15 C20 1.426(3) . ?
C16 C17 1.372(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.405(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.407(3) . ?
C19 H19 0.9500 . ?
O3 C21 1.441(2) . ?
O3 H1O3 0.811(10) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
O1SA C1SA 1.376(5) . ?
O1SA H1SA 0.8400 . ?
C1SA H1S1 0.9800 . ?
C1SA H1S2 0.9800 . ?
C1SA H1S3 0.9800 . ?
O1SB C1SB 1.395(5) . ?
O1SB H1SB 0.8400 . ?
C1SB H1S4 0.9800 . ?
C1SB H1S5 0.9800 . ?
C1SB H1S6 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
O3 H1O3 O2 0.811(10) 1.767(9) 2.572(2) 172(2) 2_656 yes
C21 H21C Cl1 0.98 2.80 3.456(3) 125.4 1_655 yes
O1SA^a H1SA^a Cl1 0.84 2.33 3.155(4) 167.6 . 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 O1 C1 C2 175.71(13) . . . . ?
Ru1 O1 C1 C6 -4.7(3) . . . . ?
O1 C1 C2 C3 -179.91(19) . . . . ?
C6 C1 C2 C3 0.5(3) . . . . ?
C1 C2 C3 C4 -0.7(3) . . . . ?
C2 C3 C4 C5 -0.1(3) . . . . ?
C3 C4 C5 C6 1.2(3) . . . . ?
C4 C5 C6 C7 179.5(2) . . . . ?
C4 C5 C6 C1 -1.4(3) . . . . ?
O1 C1 C6 C5 -179.02(19) . . . . ?
C2 C1 C6 C5 0.5(3) . . . . ?
O1 C1 C6 C7 0.0(3) . . . . ?
C2 C1 C6 C7 179.53(19) . . . . ?
C8 N1 C7 C6 176.20(18) . . . . ?
Ru1 N1 C7 C6 -0.3(3) . . . . ?
C5 C6 C7 N1 -178.03(19) . . . . ?
C1 C6 C7 N1 2.9(3) . . . . ?
C7 N1 C8 C9 4.9(3) . . . . ?
Ru1 N1 C8 C9 -178.25(15) . . . . ?
C7 N1 C8 C13 -173.58(18) . . . . ?
Ru1 N1 C8 C13 3.3(2) . . . . ?
C13 C8 C9 C10 2.0(3) . . . . ?
N1 C8 C9 C10 -176.42(18) . . . . ?
C8 C9 C10 C11 1.0(3) . . . . ?
C9 C10 C11 C12 -2.0(3) . . . . ?
C10 C11 C12 C13 0.0(3) . . . . ?
C11 C12 C13 C8 2.9(3) . . . . ?
C11 C12 C13 N2 -177.92(18) . . . . ?
C9 C8 C13 C12 -3.9(3) . . . . ?
N1 C8 C13 C12 174.63(17) . . . . ?
C9 C8 C13 N2 176.84(17) . . . . ?
N1 C8 C13 N2 -4.6(2) . . . . ?
C14 N2 C13 C12 10.6(3) . . . . ?
Ru1 N2 C13 C12 -175.48(16) . . . . ?
C14 N2 C13 C8 -170.21(18) . . . . ?
Ru1 N2 C13 C8 3.7(2) . . . . ?
C13 N2 C14 C15 177.79(18) . . . . ?
Ru1 N2 C14 C15 4.5(3) . . . . ?
N2 C14 C15 C16 -178.0(2) . . . . ?
N2 C14 C15 C20 2.8(3) . . . . ?
C20 C15 C16 C17 0.4(3) . . . . ?
C14 C15 C16 C17 -178.8(2) . . . . ?
C15 C16 C17 C18 -0.7(3) . . . . ?
C16 C17 C18 C19 0.0(3) . . . . ?
C17 C18 C19 C20 1.1(3) . . . . ?
Ru1 O2 C20 C19 170.76(14) . . . . ?
Ru1 O2 C20 C15 -9.6(3) . . . . ?
C18 C19 C20 O2 178.2(2) . . . . ?
C18 C19 C20 C15 -1.4(3) . . . . ?
C16 C15 C20 O2 -178.98(19) . . . . ?
C14 C15 C20 O2 0.1(3) . . . . ?
C16 C15 C20 C19 0.6(3) . . . . ?
C14 C15 C20 C19 179.7(2) . . . . ?
