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#$Date: 2021-11-17 10:35:05 +0200 (Wed, 17 Nov 2021) $
#$Revision: 270715 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/52/1565279.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_1565279
loop_
_publ_author_name
'Chrzanowska, Marta'
'Katafias, Anna'
'Kozakiewicz, Anna'
'van Eldik, Rudi'
_publ_section_title
;
 Steric and electronic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl
 complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119449
_journal_paper_doi               10.1016/j.ica.2020.119449
_journal_volume                  504
_journal_year                    2020
_chemical_formula_moiety         'C27 H23 Cl2 N5 O2 Ru'
_chemical_formula_sum            'C27 H23 Cl2 N5 O2 Ru'
_chemical_formula_weight         621.47
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 113.29(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.121(5)
_cell_length_b                   13.885(3)
_cell_length_c                   15.907(3)
_cell_measurement_reflns_used    6161
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.8510
_cell_measurement_theta_min      2.4370
_cell_volume                     5299(2)
_computing_cell_refinement       'Oxford Diffraction CrysAlis'
_computing_data_collection       'Oxford Diffraction CrysAlis'
_computing_data_reduction        'Oxford Diffraction CrysAlis'
_computing_publication_material  'CIFTAB (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELX-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.2564
_diffrn_measured_fraction_theta_full 0.837
_diffrn_measured_fraction_theta_max 0.744
_diffrn_measurement_device_type  'Oxford Sapphire CCD'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2001
_diffrn_reflns_av_unetI/netI     0.1471
_diffrn_reflns_Laue_measured_fraction_full 0.837
_diffrn_reflns_Laue_measured_fraction_max 0.744
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15199
_diffrn_reflns_point_group_measured_fraction_full 0.837
_diffrn_reflns_point_group_measured_fraction_max 0.744
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.522
_diffrn_reflns_theta_min         2.398
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.828
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.965
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'Oxford Diffraction CrysAlis'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_description       plate
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.297
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.053
_refine_diff_density_max         2.087
_refine_diff_density_min         -2.349
_refine_diff_density_rms         0.210
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         5010
_refine_ls_number_restraints     283
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1920
_refine_ls_R_factor_gt           0.1289
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1494P)²+152.6720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3070
_refine_ls_wR_factor_ref         0.3500
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3094
_reflns_number_total             5010
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-504-119449.cif
_cod_data_source_block           rufen_a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1565279
_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   0.791
_shelx_estimated_absorpt_t_max   0.957
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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 0.32327(5) 0.84054(8) 0.30418(7) 0.0317(4) Uani 1 1 d . U . . .
Cl1 Cl 0.29513(17) 0.6747(2) 0.2809(3) 0.0463(9) Uani 1 1 d . . . . .
N1 N 0.3174(5) 0.8417(8) 0.4295(7) 0.037(3) Uani 1 1 d . U . . .
C2 C 0.3546(9) 0.8189(13) 0.5101(11) 0.061(5) Uani 1 1 d . U . . .
H2A H 0.3887 0.7961 0.5125 0.074 Uiso 1 1 calc R U . . .
C3 C 0.3485(9) 0.8255(14) 0.5920(13) 0.065(5) Uani 1 1 d . U . . .
H3A H 0.3776 0.8123 0.6478 0.078 Uiso 1 1 calc R U . . .
C4 C 0.2997(6) 0.8510(11) 0.5865(10) 0.042(3) Uani 1 1 d . U . . .
H4A H 0.2940 0.8561 0.6405 0.050 Uiso 1 1 calc R U . . .
C5 C 0.2535(8) 0.8720(13) 0.5013(13) 0.059(4) Uani 1 1 d . U . . .
H5A H 0.2183 0.8875 0.4987 0.071 Uiso 1 1 calc R U . . .
C6 C 0.2653(7) 0.8674(11) 0.4227(10) 0.042(3) Uani 1 1 d . U . . .
C7 C 0.2245(6) 0.8880(10) 0.3309(11) 0.041(3) Uani 1 1 d . U . . .
C8 C 0.1679(8) 0.9082(12) 0.3064(13) 0.060(4) Uani 1 1 d . U . . .
H8A H 0.1527 0.9119 0.3503 0.072 Uiso 1 1 calc R U . . .
C9 C 0.1348(8) 0.9226(13) 0.2131(15) 0.062(5) Uani 1 1 d . U . . .
H9A H 0.0971 0.9373 0.1937 0.074 Uiso 1 1 calc R U . . .
C10 C 0.1592(6) 0.9147(12) 0.1513(13) 0.058(4) Uani 1 1 d . U . . .
H10A H 0.1371 0.9257 0.0898 0.069 Uiso 1 1 calc R U . . .
C11 C 0.2136(6) 0.8917(10) 0.1744(9) 0.037(3) Uani 1 1 d . U . . .
N12 N 0.2453(5) 0.8773(9) 0.2652(8) 0.038(3) Uani 1 1 d . U . . .
C13 C 0.2470(7) 0.8814(11) 0.1212(10) 0.047(4) Uani 1 1 d . U . . .
C14 C 0.2233(7) 0.8913(10) 0.0264(10) 0.046(4) Uani 1 1 d . U . . .
H14A H 0.1861 0.9085 -0.0042 0.056 Uiso 1 1 calc R U . . .
C15 C 0.2580(5) 0.8742(13) -0.0221(8) 0.060(5) Uani 1 1 d D U . . .
H15A H 0.2426 0.8751 -0.0858 0.071 Uiso 1 1 calc R U . . .
C16 C 0.3142(5) 0.8563(13) 0.0242(7) 0.058(4) Uani 1 1 d D U . . .
H16A H 0.3383 0.8541 -0.0060 0.070 Uiso 1 1 calc R U . . .
C17 C 0.3330(5) 0.8419(10) 0.1173(7) 0.038(3) Uani 1 1 d D U . . .
H17A H 0.3700 0.8237 0.1486 0.045 Uiso 1 1 calc R U . . .
N18 N 0.3019(5) 0.8522(7) 0.1652(7) 0.033(2) Uani 1 1 d . U . . .
N19 N 0.4077(5) 0.8069(9) 0.3470(8) 0.042(3) Uani 1 1 d . U . . .
C20 C 0.4319(8) 0.7209(13) 0.3602(14) 0.066(5) Uani 1 1 d . U . . .
H20A H 0.4104 0.6656 0.3525 0.079 Uiso 1 1 calc R U . . .
C21 C 0.4911(8) 0.7128(14) 0.3863(15) 0.072(6) Uani 1 1 d . U . . .
H21A H 0.5075 0.6522 0.3968 0.086 Uiso 1 1 calc R U . . .
C22 C 0.5220(9) 0.7886(17) 0.3957(16) 0.080(6) Uani 1 1 d . U . . .
H22A H 0.5601 0.7820 0.4110 0.097 Uiso 1 1 calc R U . . .
C23 C 0.4976(7) 0.8810(14) 0.3824(13) 0.056(4) Uani 1 1 d . U . . .
C24 C 0.4402(5) 0.8852(10) 0.3583(9) 0.036(3) Uani 1 1 d . U . . .
C25 C 0.4134(6) 0.9759(10) 0.3482(9) 0.041(3) Uani 1 1 d . U . . .
N26 N 0.3574(5) 0.9750(8) 0.3250(7) 0.037(2) Uani 1 1 d . U . . .
C27 C 0.3321(7) 1.0585(11) 0.3176(9) 0.045(3) Uani 1 1 d . U . . .
H27A H 0.2939 1.0591 0.3026 0.055 Uiso 1 1 calc R U . . .
C28 C 0.3598(9) 1.1444(11) 0.3310(11) 0.058(4) Uani 1 1 d . U . . .
H28A H 0.3397 1.2012 0.3246 0.069 Uiso 1 1 calc R U . . .
C29 C 0.4157(8) 1.1497(11) 0.3534(10) 0.055(4) Uani 1 1 d . U . . .
H29A H 0.4342 1.2085 0.3636 0.066 Uiso 1 1 calc R U . . .
C30 C 0.4441(7) 1.0620(13) 0.3604(12) 0.058(4) Uani 1 1 d . U . . .
C31 C 0.5027(8) 1.0553(17) 0.3840(16) 0.076(6) Uani 1 1 d . U . . .
H31A H 0.5238 1.1113 0.3942 0.091 Uiso 1 1 calc R U . . .
C32 C 0.5279(8) 0.9697(15) 0.3918(15) 0.073(5) Uani 1 1 d . U . . .
H32A H 0.5657 0.9676 0.4036 0.087 Uiso 1 1 calc R U . . .
O1WA O 0.0825(8) 0.9757(18) 0.4282(13) 0.062(6) Uani 0.57 1 d D U P A 1
H1B H 0.0660 0.9337 0.4527 0.075 Uiso 0.57 1 d DR U P A 1
H1A H 0.0901 1.0238 0.4010 0.075 Uiso 0.57 1 d DR U P A 1
O1WB O 0.1318(15) 0.920(2) 0.501(2) 0.075(8) Uani 0.43 1 d D U P B 2
H1C H 0.0998 0.9417 0.4427 0.090 Uiso 0.43 1 d DR U P B 2
H1D H 0.1534 0.8777 0.4859 0.090 Uiso 0.43 1 d DR U P B 2
O2WA O 0.3914(12) 0.638(2) 0.163(2) 0.102(9) Uani 0.6 1 d D U P C 1
H2B H 0.3998 0.6762 0.1246 0.123 Uiso 0.6 1 d DR U P C 1
H2C H 0.3553 0.6252 0.1283 0.123 Uiso 0.6 1 d DR U P C 1
O2WB O 0.411(2) 0.560(5) 0.114(4) 0.143(15) Uani 0.4 1 d D U P D 2
H2D H 0.4112 0.5119 0.0761 0.172 Uiso 0.4 1 d DR U P D 2
H2E H 0.4365 0.5377 0.1671 0.172 Uiso 0.4 1 d DR U P D 2
Cl2A Cl 0.5210(7) 1.3259(11) 0.3830(14) 0.145(7) Uani 0.6 1 d . U P E 1
Cl2B Cl 0.518(2) 1.277(3) 0.323(3) 0.25(2) Uani 0.4 1 d . U P F 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
N12 Ru1 N26 98.4(5) . .
N12 Ru1 N1 80.6(5) . .
N26 Ru1 N1 91.7(4) . .
N12 Ru1 N18 80.4(5) . .
N26 Ru1 N18 91.0(4) . .
N1 Ru1 N18 161.0(5) . .
N12 Ru1 N19 177.7(5) . .
N26 Ru1 N19 79.3(5) . .
N1 Ru1 N19 99.2(5) . .
N18 Ru1 N19 99.8(5) . .
N12 Ru1 Cl1 89.1(4) . .
N26 Ru1 Cl1 172.2(3) . .
N1 Ru1 Cl1 91.3(3) . .
N18 Ru1 Cl1 88.5(3) . .
N19 Ru1 Cl1 93.2(3) . .
C2 N1 C6 118.1(14) . .
C2 N1 Ru1 129.6(12) . .
C6 N1 Ru1 112.2(9) . .
N1 C2 C3 126.4(19) . .
N1 C2 H2A 116.8 . .
C3 C2 H2A 116.8 . .
C4 C3 C2 115.8(18) . .
C4 C3 H3A 122.1 . .
C2 C3 H3A 122.1 . .
C3 C4 C5 123.7(16) . .
C3 C4 H4A 118.2 . .
C5 C4 H4A 118.2 . .
C6 C5 C4 115.5(15) . .
C6 C5 H5A 122.2 . .
C4 C5 H5A 122.2 . .
N1 C6 C5 120.3(14) . .
N1 C6 C7 116.2(13) . .
C5 C6 C7 123.5(15) . .
N12 C7 C8 120.4(15) . .
N12 C7 C6 112.9(13) . .
C8 C7 C6 126.4(15) . .
C7 C8 C9 117.6(16) . .
C7 C8 H8A 121.2 . .
C9 C8 H8A 121.2 . .
C10 C9 C8 118.7(17) . .
C10 C9 H9A 120.7 . .
C8 C9 H9A 120.7 . .
C11 C10 C9 123.9(17) . .
C11 C10 H10A 118.0 . .
C9 C10 H10A 118.0 . .
C10 C11 N12 117.0(14) . .
C10 C11 C13 132.5(15) . .
N12 C11 C13 110.5(13) . .
C7 N12 C11 122.3(13) . .
C7 N12 Ru1 118.0(10) . .
C11 N12 Ru1 119.7(10) . .
N18 C13 C14 120.3(16) . .
N18 C13 C11 118.6(13) . .
C14 C13 C11 120.8(16) . .
C13 C14 C15 117.7(15) . .
C13 C14 H14A 121.2 . .
C15 C14 H14A 121.2 . .
C16 C15 C14 120.8(10) . .
C16 C15 H15A 119.6 . .
C14 C15 H15A 119.6 . .
C17 C16 C15 116.7(3) . .
C17 C16 H16A 121.6 . .
C15 C16 H16A 121.6 . .
N18 C17 C16 124.4(9) . .
N18 C17 H17A 117.8 . .
C16 C17 H17A 117.8 . .
C17 N18 C13 119.3(11) . .
C17 N18 Ru1 129.9(8) . .
C13 N18 Ru1 110.6(9) . .
C20 N19 C24 117.9(14) . .
C20 N19 Ru1 128.9(12) . .
C24 N19 Ru1 113.1(9) . .
N19 C20 C21 120.4(17) . .
N19 C20 H20A 119.8 . .
C21 C20 H20A 119.8 . .
C22 C21 C20 121.2(18) . .
C22 C21 H21A 119.4 . .
C20 C21 H21A 119.4 . .
C21 C22 C23 119.7(18) . .
C21 C22 H22A 120.1 . .
C23 C22 H22A 120.1 . .
C24 C23 C22 116.9(17) . .
C24 C23 C32 118.7(16) . .
C22 C23 C32 124.5(16) . .
N19 C24 C23 123.8(14) . .
N19 C24 C25 116.4(12) . .
C23 C24 C25 119.8(14) . .
N26 C25 C30 122.5(14) . .
N26 C25 C24 117.0(12) . .
C30 C25 C24 120.5(14) . .
C27 N26 C25 117.7(13) . .
C27 N26 Ru1 128.3(10) . .
C25 N26 Ru1 114.0(9) . .
N26 C27 C28 122.6(16) . .
N26 C27 H27A 118.7 . .
C28 C27 H27A 118.7 . .
C29 C28 C27 122.3(16) . .
C29 C28 H28A 118.8 . .
C27 C28 H28A 118.8 . .
C28 C29 C30 116.8(14) . .
C28 C29 H29A 121.6 . .
C30 C29 H29A 121.6 . .
C29 C30 C25 117.9(16) . .
C29 C30 C31 123.7(17) . .
C25 C30 C31 118.3(17) . .
C32 C31 C30 121.2(18) . .
C32 C31 H31A 119.4 . .
C30 C31 H31A 119.4 . .
C31 C32 C23 121.4(17) . .
C31 C32 H32A 119.3 . .
C23 C32 H32A 119.3 . .
H1B O1WA H1A 165.1 . .
H1C O1WB H1D 108.9 . .
H2B O2WA H2C 99.9 . .
H2D O2WB H2E 100.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N12 1.947(12) .
Ru1 N26 2.039(12) .
Ru1 N1 2.058(10) .
Ru1 N18 2.062(11) .
Ru1 N19 2.087(13) .
Ru1 Cl1 2.401(4) .
N1 C2 1.31(2) .
N1 C6 1.37(2) .
C2 C3 1.38(2) .
C2 H2A 0.9300 .
C3 C4 1.29(2) .
C3 H3A 0.9300 .
C4 C5 1.44(2) .
C4 H4A 0.9300 .
C5 C6 1.40(2) .
C5 H5A 0.9300 .
C6 C7 1.46(2) .
C7 N12 1.365(18) .
C7 C8 1.40(2) .
C8 C9 1.41(3) .
C8 H8A 0.9300 .
C9 C10 1.37(3) .
C9 H9A 0.9300 .
C10 C11 1.36(2) .
C10 H10A 0.9300 .
C11 N12 1.367(17) .
C11 C13 1.44(2) .
C13 N18 1.38(2) .
C13 C14 1.39(2) .
C14 C15 1.42(2) .
C14 H14A 0.9300 .
C15 C16 1.380(2) .
C15 H15A 0.9300 .
C16 C17 1.380(2) .
C16 H16A 0.9300 .
C17 N18 1.320(17) .
C17 H17A 0.9300 .
N19 C20 1.33(2) .
N19 C24 1.346(18) .
C20 C21 1.44(3) .
C20 H20A 0.9300 .
C21 C22 1.30(3) .
C21 H21A 0.9300 .
C22 C23 1.41(3) .
C22 H22A 0.9300 .
C23 C24 1.396(19) .
C23 C32 1.44(3) .
C24 C25 1.42(2) .
C25 N26 1.359(18) .
C25 C30 1.41(2) .
N26 C27 1.317(18) .
C27 C28 1.37(2) .
C27 H27A 0.9300 .
C28 C29 1.36(3) .
C28 H28A 0.9300 .
C29 C30 1.41(2) .
C29 H29A 0.9300 .
C30 C31 1.43(2) .
C31 C32 1.34(3) .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
O1WA H1B 0.9001 .
O1WA H1A 0.8614 .
O1WB H1C 1.0192 .
O1WB H1D 0.9058 .
O2WA H2B 0.9023 .
O2WA H2C 0.9022 .
O2WB H2D 0.9001 .
O2WB H2E 0.9001 .
Cl2B Cl2B 2.12(10) 2_655
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
C6 N1 C2 C3 -6(3) . . . .
Ru1 N1 C2 C3 177.0(14) . . . .
N1 C2 C3 C4 5(3) . . . .
C2 C3 C4 C5 0(3) . . . .
C3 C4 C5 C6 -3(3) . . . .
C2 N1 C6 C5 2(2) . . . .
Ru1 N1 C6 C5 179.9(12) . . . .
C2 N1 C6 C7 -177.4(14) . . . .
Ru1 N1 C6 C7 0.4(16) . . . .
C4 C5 C6 N1 2(2) . . . .
C4 C5 C6 C7 -178.8(14) . . . .
N1 C6 C7 N12 0.5(18) . . . .
C5 C6 C7 N12 -179.0(14) . . . .
N1 C6 C7 C8 174.7(15) . . . .
C5 C6 C7 C8 -5(2) . . . .
N12 C7 C8 C9 -4(2) . . . .
C6 C7 C8 C9 -177.6(15) . . . .
C7 C8 C9 C10 1(3) . . . .
C8 C9 C10 C11 1(3) . . . .
C9 C10 C11 N12 -1(2) . . . .
C9 C10 C11 C13 -178.8(16) . . . .
C8 C7 N12 C11 4(2) . . . .
C6 C7 N12 C11 178.9(12) . . . .
C8 C7 N12 Ru1 -175.8(11) . . . .
C6 C7 N12 Ru1 -1.3(16) . . . .
C10 C11 N12 C7 -2(2) . . . .
C13 C11 N12 C7 176.4(12) . . . .
C10 C11 N12 Ru1 178.3(11) . . . .
C13 C11 N12 Ru1 -3.4(16) . . . .
C10 C11 C13 N18 -176.9(15) . . . .
N12 C11 C13 N18 5.1(18) . . . .
C10 C11 C13 C14 -3(3) . . . .
N12 C11 C13 C14 178.9(13) . . . .
N18 C13 C14 C15 -2(2) . . . .
C11 C13 C14 C15 -176.1(14) . . . .
C13 C14 C15 C16 -5(2) . . . .
C14 C15 C16 C17 9(3) . . . .
C15 C16 C17 N18 -6(3) . . . .
C16 C17 N18 C13 -2(2) . . . .
C16 C17 N18 Ru1 -176.6(12) . . . .
C14 C13 N18 C17 6(2) . . . .
C11 C13 N18 C17 179.6(13) . . . .
C14 C13 N18 Ru1 -178.2(11) . . . .
C11 C13 N18 Ru1 -4.4(16) . . . .
C24 N19 C20 C21 0(3) . . . .
Ru1 N19 C20 C21 177.3(13) . . . .
N19 C20 C21 C22 -2(3) . . . .
C20 C21 C22 C23 2(4) . . . .
C21 C22 C23 C24 -1(3) . . . .
C21 C22 C23 C32 179(2) . . . .
C20 N19 C24 C23 0(2) . . . .
Ru1 N19 C24 C23 -176.9(12) . . . .
C20 N19 C24 C25 -176.9(14) . . . .
Ru1 N19 C24 C25 5.7(15) . . . .
C22 C23 C24 N19 0(3) . . . .
C32 C23 C24 N19 179.5(16) . . . .
C22 C23 C24 C25 177.0(16) . . . .
C32 C23 C24 C25 -3(2) . . . .
N19 C24 C25 N26 -2.2(18) . . . .
C23 C24 C25 N26 -179.7(13) . . . .
N19 C24 C25 C30 178.8(14) . . . .
C23 C24 C25 C30 1(2) . . . .
C30 C25 N26 C27 -3(2) . . . .
C24 C25 N26 C27 178.4(12) . . . .
C30 C25 N26 Ru1 176.3(12) . . . .
C24 C25 N26 Ru1 -2.6(15) . . . .
C25 N26 C27 C28 1(2) . . . .
Ru1 N26 C27 C28 -178.0(11) . . . .
N26 C27 C28 C29 0(2) . . . .
C27 C28 C29 C30 1(2) . . . .
C28 C29 C30 C25 -3(2) . . . .
C28 C29 C30 C31 -179.4(18) . . . .
N26 C25 C30 C29 4(2) . . . .
C24 C25 C30 C29 -177.3(14) . . . .
N26 C25 C30 C31 -179.6(15) . . . .
C24 C25 C30 C31 -1(2) . . . .
C29 C30 C31 C32 178(2) . . . .
C25 C30 C31 C32 2(3) . . . .
C30 C31 C32 C23 -4(3) . . . .
C24 C23 C32 C31 5(3) . . . .
C22 C23 C32 C31 -176(2) . . . .
