#------------------------------------------------------------------------------
#$Date: 2022-02-04 20:32:48 +0100 (vie 04 de feb de 2022) $
#$Revision: 272655 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/89/7708935.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_7708935
loop_
_publ_author_name
'Kosaka, Wataru'
'Watanabe, Yudai'
'Aliyah, Kinanti Hantiyana'
'Miyasaka, Hitoshi'
_publ_section_title
;
 Role of intramolecular hydrogen bonding in the redox chemistry of
 hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              85
_journal_page_last               94
_journal_paper_doi               10.1039/d1dt03791a
_journal_volume                  51
_journal_year                    2021
_chemical_formula_moiety         'C40 H32 F12 O12 Ru2'
_chemical_formula_sum            'C40 H32 F12 O12 Ru2'
_chemical_formula_weight         1134.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-11-09 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.951(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   10.9274(3)
_cell_length_b                   14.1299(2)
_cell_length_c                   14.5991(4)
_cell_measurement_reflns_used    13487
_cell_measurement_temperature    103
_cell_measurement_theta_max      31.52
_cell_measurement_theta_min      1.46
_cell_volume                     2105.12(10)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.2.1'
_computing_publication_material  'CrystalStructure 4.2.1 (Rigaku, 2016)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      103
_diffrn_detector_area_resol_mean 28.626
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0147
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13409
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         3.229
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.833
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1128.00
_exptl_crystal_size_max          0.167
_exptl_crystal_size_mid          0.144
_exptl_crystal_size_min          0.091
_refine_diff_density_max         1.12
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3770
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0291P)²+2.8564P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0663
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3714
_reflns_number_total             3770
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1dt03791a2.cif
_cod_data_source_block           2-OH_hetero
_cod_depositor_comments
'Adding full bibliography for 7708935--7708941.cif.'
_cod_database_code               7708935
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 -1/2+X,-1/2-Y,-1/2+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 0.03688(2) 0.57417(2) 0.49531(2) 0.01344(8) Uani 1 1 d . . . . .
F1 F 0.55294(16) 0.42019(12) 0.78346(11) 0.0383(4) Uani 1 1 d . . . . .
F2 F 0.45523(19) 0.53810(12) 0.69447(12) 0.0441(4) Uani 1 1 d . . . . .
F3 F 0.34404(16) 0.41987(13) 0.71329(12) 0.0399(4) Uani 1 1 d . . . . .
F4 F 0.31348(16) 0.31905(13) 0.27318(11) 0.0392(4) Uani 1 1 d . . . . .
F5 F 0.20063(17) 0.41844(12) 0.32116(11) 0.0387(4) Uani 1 1 d . . . . .
F6 F 0.18649(16) 0.27033(13) 0.34566(12) 0.0418(4) Uani 1 1 d . . . . .
O1 O 0.21801(14) 0.51965(10) 0.50881(11) 0.0170(3) Uani 1 1 d . . . . .
O2 O 0.14458(14) 0.37217(10) 0.51575(11) 0.0173(3) Uani 1 1 d . . . . .
O3 O 0.09575(15) 0.58731(10) 0.64468(11) 0.0181(3) Uani 1 1 d . . . . .
O4 O 0.02257(15) 0.44113(10) 0.65526(11) 0.0176(3) Uani 1 1 d . . . . .
O5 O 0.09859(15) 0.72857(10) 0.48000(11) 0.0185(3) Uani 1 1 d . . . . .
O6 O 0.0270(2) 0.37990(15) 0.82214(15) 0.0421(5) Uani 1 1 d . . . . .
H6 H 0.0109 0.3786 0.7614 0.051 Uiso 1 1 calc R U . . .
C1 C 0.2310(2) 0.43100(15) 0.51503(16) 0.0165(4) Uani 1 1 d . . . . .
C2 C 0.3632(2) 0.39119(15) 0.52348(17) 0.0179(4) Uani 1 1 d . . . . .
C3 C 0.4695(2) 0.39597(16) 0.61213(17) 0.0213(5) Uani 1 1 d . . . . .
C4 C 0.4549(3) 0.44306(19) 0.70036(18) 0.0281(5) Uani 1 1 d . . . . .
C5 C 0.5906(2) 0.35896(18) 0.62069(19) 0.0272(5) Uani 1 1 d . . . . .
H5 H 0.6620 0.3631 0.6814 0.033 Uiso 1 1 calc R U . . .
C6 C 0.6075(2) 0.31617(18) 0.5413(2) 0.0286(5) Uani 1 1 d . . . . .
H6A H 0.6906 0.2909 0.5472 0.034 Uiso 1 1 calc R U . . .
C7 C 0.5036(2) 0.30996(18) 0.45294(19) 0.0269(5) Uani 1 1 d . . . . .
H7 H 0.5153 0.2798 0.3985 0.032 Uiso 1 1 calc R U . . .
C8 C 0.3824(2) 0.34765(16) 0.44356(17) 0.0217(5) Uani 1 1 d . . . . .
C9 C 0.2709(3) 0.33907(19) 0.34627(19) 0.0281(5) Uani 1 1 d . . . . .
C10 C 0.0746(2) 0.52005(15) 0.69400(16) 0.0173(4) Uani 1 1 d . . . . .
C11 C 0.1099(2) 0.53257(17) 0.80054(17) 0.0199(5) Uani 1 1 d . . . . .
C12 C 0.0850(2) 0.46204(18) 0.85895(18) 0.0247(5) Uani 1 1 d . . . . .
C13 C 0.1199(3) 0.4767(2) 0.95924(19) 0.0317(6) Uani 1 1 d . . . . .
H13 H 0.1042 0.4286 0.9992 0.038 Uiso 1 1 calc R U . . .
C14 C 0.1774(3) 0.5612(2) 1.0013(2) 0.0322(6) Uani 1 1 d . . . . .
H14 H 0.2003 0.5708 1.0698 0.039 Uiso 1 1 calc R U . . .
C15 C 0.2016(3) 0.6319(2) 0.94412(19) 0.0305(6) Uani 1 1 d . . . . .
H15 H 0.2412 0.6896 0.9732 0.037 Uiso 1 1 calc R U . . .
C16 C 0.1677(2) 0.61764(18) 0.84473(18) 0.0254(5) Uani 1 1 d . . . . .
H16 H 0.1838 0.6662 0.8055 0.031 Uiso 1 1 calc R U . . .
C17 C 0.1359(3) 0.79148(18) 0.5642(2) 0.0358(6) Uani 1 1 d . . . . .
H17A H 0.2320 0.8010 0.5904 0.043 Uiso 1 1 calc R U . . .
H17B H 0.1091 0.7645 0.6167 0.043 Uiso 1 1 calc R U . . .
C18 C 0.0667(3) 0.88405(18) 0.52886(19) 0.0288(5) Uani 1 1 d . . . . .
H18A H 0.1227 0.9383 0.5613 0.035 Uiso 1 1 calc R U . . .
H18B H -0.0165 0.8874 0.5414 0.035 Uiso 1 1 calc R U . . .
C19 C 0.0413(3) 0.88306(17) 0.41941(19) 0.0292(5) Uani 1 1 d . . . . .
H19A H -0.0357 0.9223 0.3829 0.035 Uiso 1 1 calc R U . . .
H19B H 0.1185 0.9062 0.4057 0.035 Uiso 1 1 calc R U . . .
C20 C 0.0159(2) 0.77956(16) 0.39321(17) 0.0228(5) Uani 1 1 d . . . . .
H20A H -0.0777 0.7639 0.3780 0.027 Uiso 1 1 calc R U . . .
H20B H 0.0398 0.7636 0.3357 0.027 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 0.0033 0.0016
;
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)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(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
O3 Ru1 O1 90.39(6) . . ?
O3 Ru1 O4 179.20(6) . 3_566 ?
O1 Ru1 O4 89.34(6) . 3_566 ?
O3 Ru1 O2 88.70(6) . 3_566 ?
O1 Ru1 O2 178.94(6) . 3_566 ?
O4 Ru1 O2 91.56(6) 3_566 3_566 ?
O3 Ru1 Ru1 90.15(4) . 3_566 ?
O1 Ru1 Ru1 89.92(4) . 3_566 ?
O4 Ru1 Ru1 89.09(4) 3_566 3_566 ?
O2 Ru1 Ru1 89.54(4) 3_566 3_566 ?
O3 Ru1 O5 91.48(6) . . ?
O1 Ru1 O5 93.34(6) . . ?
O4 Ru1 O5 89.29(6) 3_566 . ?
O2 Ru1 O5 87.22(6) 3_566 . ?
Ru1 Ru1 O5 176.34(4) 3_566 . ?
C1 O1 Ru1 117.18(14) . . ?
C1 O2 Ru1 117.16(13) . 3_566 ?
C10 O3 Ru1 119.13(14) . . ?
C10 O4 Ru1 118.63(14) . 3_566 ?
C17 O5 C20 109.42(17) . . ?
C17 O5 Ru1 119.87(14) . . ?
C20 O5 Ru1 115.97(13) . . ?
C12 O6 H6 109.5 . . ?
O1 C1 O2 126.2(2) . . ?
O1 C1 C2 117.06(19) . . ?
O2 C1 C2 116.76(18) . . ?
C3 C2 C8 118.1(2) . . ?
C3 C2 C1 120.7(2) . . ?
C8 C2 C1 121.2(2) . . ?
C5 C3 C2 121.0(2) . . ?
C5 C3 C4 118.6(2) . . ?
C2 C3 C4 120.3(2) . . ?
F3 C4 F1 106.6(2) . . ?
F3 C4 F2 106.2(2) . . ?
F1 C4 F2 106.2(2) . . ?
F3 C4 C3 113.1(2) . . ?
F1 C4 C3 111.8(2) . . ?
F2 C4 C3 112.5(2) . . ?
C6 C5 C3 120.1(2) . . ?
C6 C5 H5 120.0 . . ?
C3 C5 H5 120.0 . . ?
C5 C6 C7 120.0(2) . . ?
C5 C6 H6A 120.0 . . ?
C7 C6 H6A 120.0 . . ?
C6 C7 C8 120.2(2) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C7 C8 C2 120.6(2) . . ?
C7 C8 C9 118.9(2) . . ?
C2 C8 C9 120.6(2) . . ?
F5 C9 F6 106.3(2) . . ?
F5 C9 F4 106.8(2) . . ?
F6 C9 F4 106.1(2) . . ?
F5 C9 C8 112.5(2) . . ?
F6 C9 C8 112.8(2) . . ?
F4 C9 C8 111.9(2) . . ?
O3 C10 O4 122.9(2) . . ?
O3 C10 C11 118.6(2) . . ?
O4 C10 C11 118.4(2) . . ?
C12 C11 C16 118.9(2) . . ?
C12 C11 C10 121.5(2) . . ?
C16 C11 C10 119.6(2) . . ?
O6 C12 C13 117.6(2) . . ?
O6 C12 C11 122.7(2) . . ?
C13 C12 C11 119.7(2) . . ?
C14 C13 C12 120.3(3) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C13 120.5(2) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 119.5(3) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C15 C16 C11 121.1(2) . . ?
C15 C16 H16 119.5 . . ?
C11 C16 H16 119.5 . . ?
O5 C17 C18 106.7(2) . . ?
O5 C17 H17A 110.4 . . ?
C18 C17 H17A 110.4 . . ?
O5 C17 H17B 110.4 . . ?
C18 C17 H17B 110.4 . . ?
H17A C17 H17B 108.6 . . ?
C17 C18 C19 103.4(2) . . ?
C17 C18 H18A 111.1 . . ?
C19 C18 H18A 111.1 . . ?
C17 C18 H18B 111.1 . . ?
C19 C18 H18B 111.1 . . ?
H18A C18 H18B 109.0 . . ?
C20 C19 C18 102.86(19) . . ?
C20 C19 H19A 111.2 . . ?
C18 C19 H19A 111.2 . . ?
C20 C19 H19B 111.2 . . ?
C18 C19 H19B 111.2 . . ?
H19A C19 H19B 109.1 . . ?
O5 C20 C19 104.91(19) . . ?
O5 C20 H20A 110.8 . . ?
C19 C20 H20A 110.8 . . ?
O5 C20 H20B 110.8 . . ?
C19 C20 H20B 110.8 . . ?
H20A C20 H20B 108.8 . . ?
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 O3 2.0494(16) . ?
Ru1 O1 2.0666(14) . ?
Ru1 O4 2.0687(15) 3_566 ?
Ru1 O2 2.0745(15) 3_566 ?
Ru1 Ru1 2.2674(3) 3_566 ?
Ru1 O5 2.3177(15) . ?
F1 C4 1.340(3) . ?
F2 C4 1.346(3) . ?
F3 C4 1.332(3) . ?
F4 C9 1.338(3) . ?
F5 C9 1.334(3) . ?
F6 C9 1.337(3) . ?
O1 C1 1.260(3) . ?
O2 C1 1.261(3) . ?
O2 Ru1 2.0746(15) 3_566 ?
O3 C10 1.263(3) . ?
O4 C10 1.287(3) . ?
O4 Ru1 2.0687(15) 3_566 ?
O5 C17 1.452(3) . ?
O5 C20 1.457(3) . ?
O6 C12 1.339(3) . ?
O6 H6 0.8400 . ?
C1 C2 1.514(3) . ?
C2 C3 1.398(3) . ?
C2 C8 1.399(3) . ?
C3 C5 1.386(3) . ?
C3 C4 1.508(3) . ?
C5 C6 1.377(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.384(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.388(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.510(3) . ?
C10 C11 1.473(3) . ?
C11 C12 1.400(3) . ?
C11 C16 1.403(3) . ?
C12 C13 1.390(4) . ?
C13 C14 1.387(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.386(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.507(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.521(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.512(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
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
O6 H6 O4 . . . 2.569(3) 0.840 1.828 146.3 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
Ru1 O1 C1 O2 -1.5(3) . . . . ?
Ru1 O1 C1 C2 179.17(14) . . . . ?
Ru1 O2 C1 O1 0.5(3) 3_566 . . . ?
Ru1 O2 C1 C2 179.80(14) 3_566 . . . ?
O1 C1 C2 C3 76.5(3) . . . . ?
O2 C1 C2 C3 -102.9(3) . . . . ?
O1 C1 C2 C8 -104.3(3) . . . . ?
O2 C1 C2 C8 76.3(3) . . . . ?
C8 C2 C3 C5 0.2(3) . . . . ?
C1 C2 C3 C5 179.4(2) . . . . ?
C8 C2 C3 C4 179.3(2) . . . . ?
C1 C2 C3 C4 -1.4(3) . . . . ?
C5 C3 C4 F3 -137.3(2) . . . . ?
C2 C3 C4 F3 43.5(3) . . . . ?
C5 C3 C4 F1 -17.0(3) . . . . ?
C2 C3 C4 F1 163.9(2) . . . . ?
C5 C3 C4 F2 102.4(3) . . . . ?
C2 C3 C4 F2 -76.7(3) . . . . ?
C2 C3 C5 C6 -0.4(4) . . . . ?
C4 C3 C5 C6 -179.5(2) . . . . ?
C3 C5 C6 C7 -0.1(4) . . . . ?
C5 C6 C7 C8 0.7(4) . . . . ?
C6 C7 C8 C2 -0.8(4) . . . . ?
C6 C7 C8 C9 -179.6(2) . . . . ?
C3 C2 C8 C7 0.4(3) . . . . ?
C1 C2 C8 C7 -178.8(2) . . . . ?
C3 C2 C8 C9 179.1(2) . . . . ?
C1 C2 C8 C9 -0.1(3) . . . . ?
C7 C8 C9 F5 -137.8(2) . . . . ?
C2 C8 C9 F5 43.4(3) . . . . ?
C7 C8 C9 F6 101.9(3) . . . . ?
C2 C8 C9 F6 -76.9(3) . . . . ?
C7 C8 C9 F4 -17.6(3) . . . . ?
C2 C8 C9 F4 163.6(2) . . . . ?
Ru1 O3 C10 O4 3.2(3) . . . . ?
Ru1 O3 C10 C11 -176.26(14) . . . . ?
Ru1 O4 C10 O3 -2.9(3) 3_566 . . . ?
Ru1 O4 C10 C11 176.59(14) 3_566 . . . ?
O3 C10 C11 C12 177.9(2) . . . . ?
O4 C10 C11 C12 -1.7(3) . . . . ?
O3 C10 C11 C16 -1.0(3) . . . . ?
O4 C10 C11 C16 179.5(2) . . . . ?
C16 C11 C12 O6 178.2(2) . . . . ?
C10 C11 C12 O6 -0.7(4) . . . . ?
C16 C11 C12 C13 -1.1(4) . . . . ?
C10 C11 C12 C13 -180.0(2) . . . . ?
O6 C12 C13 C14 -178.5(2) . . . . ?
C11 C12 C13 C14 0.9(4) . . . . ?
C12 C13 C14 C15 -0.4(4) . . . . ?
C13 C14 C15 C16 0.2(4) . . . . ?
C14 C15 C16 C11 -0.4(4) . . . . ?
C12 C11 C16 C15 0.9(4) . . . . ?
C10 C11 C16 C15 179.8(2) . . . . ?
C20 O5 C17 C18 3.3(3) . . . . ?
Ru1 O5 C17 C18 -134.23(17) . . . . ?
O5 C17 C18 C19 -23.9(3) . . . . ?
C17 C18 C19 C20 34.6(3) . . . . ?
C17 O5 C20 C19 18.9(3) . . . . ?
Ru1 O5 C20 C19 158.24(15) . . . . ?
C18 C19 C20 O5 -33.0(2) . . . . ?
