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#$Date: 2021-10-29 02:52:10 +0300 (Fri, 29 Oct 2021) $
#$Revision: 270127 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/86/7708636.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_7708636
loop_
_publ_author_name
'Biancalana, Lorenzo'
'Zanda, Emanuele'
'Hadiji, Mouna'
'Zacchini, Stefano'
'Pratesi, Alessandro'
'Pampaloni, Guido'
'Dyson, Paul J.'
'Marchetti, Fabio'
_publ_section_title
;
 Role of the (pseudo)halido ligand in ruthenium(II) p-cymene
 α-amino acid complexes in speciation, protein reactivity and
 cytotoxicity.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d1dt03274g
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_sum            'C15 H22 N2 O4 Ru'
_chemical_formula_weight         395.41
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-08-23 deposited with the CCDC.	2021-10-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8530(4)
_cell_length_b                   10.6283(6)
_cell_length_c                   21.8157(13)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.981
_cell_measurement_theta_min      2.801
_cell_volume                     1588.96(16)
_computing_cell_refinement       'APEX3 (Bruker AXS, 2015)'
_computing_data_collection       'APEX3 (Bruker AXS, 2015)'
_computing_data_reduction        'SAINT (Bruker AXS, 2015)'
_computing_molecular_graphics    'ORTEPIII (Johnson, 1996)'
_computing_publication_material  'XCIF 2014/2 (Bruker AXS, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'PHOTON100 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0143
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            24410
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         1.867
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.006
_exptl_absorpt_correction_T_max  0.3447
_exptl_absorpt_correction_T_min  0.2762
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption correction SADABS).
 R(int) =  0.0992 (selected reflections only, before parameter refinement)
 R(int) =  0.0494 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_description       prism
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.400
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.047
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         3472
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0141
_refine_ls_R_factor_gt           0.0141
_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)+(0.0087P)²+0.9232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0352
_refine_ls_wR_factor_ref         0.0352
_reflns_Friedel_coverage         0.724
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                3471
_reflns_number_total             3472
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03274g2.cif
_cod_data_source_block           1f
_cod_database_code               7708636
_shelx_shelxl_version_number     2014/7
_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   0.832
_shelx_estimated_absorpt_t_max   0.889
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+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 0.36025(2) 0.64321(2) 0.37472(2) 0.01062(5) Uani 1 1 d . . . . .
O1 O 0.5553(3) 0.76613(16) 0.33400(8) 0.0158(3) Uani 1 1 d . . . . .
O2 O 0.7228(3) 0.81327(17) 0.24954(9) 0.0225(4) Uani 1 1 d . . . . .
C1 C 0.6022(3) 0.7485(2) 0.27744(11) 0.0156(5) Uani 1 1 d . . . . .
C2 C 0.5035(4) 0.6405(2) 0.24376(10) 0.0168(4) Uani 1 1 d . . . . .
H2 H 0.6038 0.5748 0.2345 0.020 Uiso 1 1 calc R U . . .
N1 N 0.3440(3) 0.58136(18) 0.28217(8) 0.0129(4) Uani 1 1 d . . . . .
H1 H 0.3706 0.4889 0.2827 0.016 Uiso 1 1 calc R U . . .
C3 C 0.4072(4) 0.6810(3) 0.18334(12) 0.0261(6) Uani 1 1 d . . . . .
H3A H 0.3737 0.7716 0.1840 0.031 Uiso 1 1 calc R U . . .
H3B H 0.4940 0.6642 0.1480 0.031 Uiso 1 1 calc R U . . .
C4 C 0.2233(4) 0.5997(3) 0.18028(12) 0.0235(5) Uani 1 1 d . . . . .
H4A H 0.1232 0.6378 0.1534 0.028 Uiso 1 1 calc R U . . .
H4B H 0.2532 0.5137 0.1656 0.028 Uiso 1 1 calc R U . . .
C5 C 0.1579(4) 0.5990(2) 0.24698(11) 0.0205(5) Uani 1 1 d . . . . .
H5A H 0.0942 0.6795 0.2580 0.025 Uiso 1 1 calc R U . . .
H5B H 0.0659 0.5291 0.2549 0.025 Uiso 1 1 calc R U . . .
N2 N 0.5980(3) 0.52104(18) 0.38158(10) 0.0166(4) Uani 1 1 d . . . . .
O3 O 0.6561(3) 0.4838(2) 0.43261(9) 0.0316(5) Uani 1 1 d . . . . .
O4 O 0.6868(3) 0.48577(19) 0.33500(9) 0.0235(4) Uani 1 1 d . . . . .
C101 C 0.1847(3) 0.8035(2) 0.40997(11) 0.0173(5) Uani 1 1 d . . . . .
C102 C 0.3146(4) 0.7588(2) 0.45711(11) 0.0181(5) Uani 1 1 d . . . . .
H102 H 0.4222 0.8146 0.4720 0.022 Uiso 1 1 calc R U . . .
C103 C 0.3135(3) 0.6316(3) 0.47402(10) 0.0167(5) Uani 1 1 d . . . . .
H103 H 0.4228 0.5998 0.5001 0.020 Uiso 1 1 calc R U . . .
C104 C 0.1901(3) 0.5412(2) 0.44434(10) 0.0144(5) Uani 1 1 d . . . . .
C105 C 0.0648(3) 0.5862(2) 0.39810(11) 0.0147(4) Uani 1 1 d . . . . .
H105 H -0.0039 0.5243 0.3712 0.018 Uiso 1 1 calc R U . . .
C106 C 0.0573(3) 0.7179(2) 0.38256(11) 0.0155(5) Uani 1 1 d . . . . .
H106 H -0.0126 0.7435 0.3443 0.019 Uiso 1 1 calc R U . . .
C107 C 0.1984(4) 0.9379(2) 0.38868(13) 0.0249(6) Uani 1 1 d . . . . .
H10A H 0.1206 0.9487 0.3513 0.037 Uiso 1 1 calc R U . . .
H10B H 0.3349 0.9588 0.3800 0.037 Uiso 1 1 calc R U . . .
H10C H 0.1485 0.9939 0.4208 0.037 Uiso 1 1 calc R U . . .
C108 C 0.2038(4) 0.4034(2) 0.46235(11) 0.0174(5) Uani 1 1 d . . . . .
H108 H 0.3440 0.3836 0.4706 0.021 Uiso 1 1 calc R U . . .
C109 C 0.0897(5) 0.3837(3) 0.52199(12) 0.0272(6) Uani 1 1 d . . . . .
H10D H 0.1357 0.4434 0.5530 0.041 Uiso 1 1 calc R U . . .
H10E H 0.1100 0.2976 0.5367 0.041 Uiso 1 1 calc R U . . .
H10F H -0.0496 0.3975 0.5144 0.041 Uiso 1 1 calc R U . . .
C110 C 0.1313(5) 0.3140(2) 0.41278(11) 0.0228(5) Uani 1 1 d . . . . .
H11A H -0.0079 0.3288 0.4055 0.034 Uiso 1 1 calc R U . . .
H11B H 0.1510 0.2269 0.4261 0.034 Uiso 1 1 calc R U . . .
H11C H 0.2043 0.3289 0.3748 0.034 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 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'
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
_geom_angle_publ_flag
O1 Ru1 N2 85.38(7) . . ?
O1 Ru1 N1 79.70(7) . . ?
N2 Ru1 N1 85.22(8) . . ?
O1 Ru1 C105 151.41(8) . . ?
N2 Ru1 C105 122.45(8) . . ?
N1 Ru1 C105 95.06(9) . . ?
O1 Ru1 C103 123.63(8) . . ?
N2 Ru1 C103 90.47(9) . . ?
N1 Ru1 C103 155.91(9) . . ?
C105 Ru1 C103 67.45(9) . . ?
O1 Ru1 C102 95.17(8) . . ?
N2 Ru1 C102 113.55(9) . . ?
N1 Ru1 C102 160.26(8) . . ?
C105 Ru1 C102 80.28(9) . . ?
C103 Ru1 C102 37.19(10) . . ?
O1 Ru1 C104 161.73(7) . . ?
N2 Ru1 C104 93.30(8) . . ?
N1 Ru1 C104 118.39(8) . . ?
C105 Ru1 C104 37.56(9) . . ?
C103 Ru1 C104 38.11(9) . . ?
C102 Ru1 C104 68.63(9) . . ?
O1 Ru1 C101 90.81(8) . . ?
N2 Ru1 C101 150.90(9) . . ?
N1 Ru1 C101 122.49(8) . . ?
C105 Ru1 C101 68.18(9) . . ?
C103 Ru1 C101 67.81(9) . . ?
C102 Ru1 C101 38.03(9) . . ?
C104 Ru1 C101 81.50(9) . . ?
O1 Ru1 C106 114.19(8) . . ?
N2 Ru1 C106 160.43(8) . . ?
N1 Ru1 C106 97.71(9) . . ?
C105 Ru1 C106 38.16(8) . . ?
C103 Ru1 C106 78.94(9) . . ?
C102 Ru1 C106 66.80(9) . . ?
C104 Ru1 C106 68.22(9) . . ?
C101 Ru1 C106 36.54(9) . . ?
C1 O1 Ru1 118.71(15) . . ?
O2 C1 O1 123.9(2) . . ?
O2 C1 C2 118.7(2) . . ?
O1 C1 C2 117.5(2) . . ?
N1 C2 C1 111.52(18) . . ?
N1 C2 C3 106.3(2) . . ?
C1 C2 C3 113.2(2) . . ?
N1 C2 H2 108.5 . . ?
C1 C2 H2 108.5 . . ?
C3 C2 H2 108.5 . . ?
C5 N1 C2 106.17(18) . . ?
C5 N1 Ru1 119.45(15) . . ?
C2 N1 Ru1 111.08(14) . . ?
C5 N1 H1 106.5 . . ?
C2 N1 H1 106.5 . . ?
Ru1 N1 H1 106.5 . . ?
C4 C3 C2 103.5(2) . . ?
C4 C3 H3A 111.1 . . ?
C2 C3 H3A 111.1 . . ?
C4 C3 H3B 111.1 . . ?
C2 C3 H3B 111.1 . . ?
H3A C3 H3B 109.0 . . ?
C5 C4 C3 101.7(2) . . ?
C5 C4 H4A 111.4 . . ?
C3 C4 H4A 111.4 . . ?
C5 C4 H4B 111.4 . . ?
C3 C4 H4B 111.4 . . ?
H4A C4 H4B 109.3 . . ?
N1 C5 C4 103.9(2) . . ?
N1 C5 H5A 111.0 . . ?
C4 C5 H5A 111.0 . . ?
N1 C5 H5B 111.0 . . ?
C4 C5 H5B 111.0 . . ?
H5A C5 H5B 109.0 . . ?
O4 N2 O3 118.5(2) . . ?
O4 N2 Ru1 120.74(16) . . ?
O3 N2 Ru1 120.70(17) . . ?
C106 C101 C102 118.5(2) . . ?
C106 C101 C107 121.7(2) . . ?
C102 C101 C107 119.7(2) . . ?
C106 C101 Ru1 71.96(13) . . ?
C102 C101 Ru1 70.08(13) . . ?
C107 C101 Ru1 125.93(17) . . ?
C103 C102 C101 120.2(2) . . ?
C103 C102 Ru1 71.17(14) . . ?
C101 C102 Ru1 71.89(13) . . ?
C103 C102 H102 119.4 . . ?
C101 C102 H102 119.4 . . ?
Ru1 C102 H102 119.4 . . ?
C102 C103 C104 122.0(2) . . ?
C102 C103 Ru1 71.64(14) . . ?
C104 C103 Ru1 71.21(13) . . ?
C102 C103 H103 118.2 . . ?
C104 C103 H103 118.2 . . ?
Ru1 C103 H103 118.2 . . ?
C105 C104 C103 117.1(2) . . ?
C105 C104 C108 123.4(2) . . ?
C103 C104 C108 119.5(2) . . ?
C105 C104 Ru1 70.20(13) . . ?
C103 C104 Ru1 70.68(13) . . ?
C108 C104 Ru1 128.38(16) . . ?
C104 C105 C106 121.4(2) . . ?
C104 C105 Ru1 72.24(13) . . ?
C106 C105 Ru1 73.01(14) . . ?
C104 C105 H105 118.9 . . ?
C106 C105 H105 118.9 . . ?
Ru1 C105 H105 118.9 . . ?
C101 C106 C105 120.7(2) . . ?
C101 C106 Ru1 71.50(13) . . ?
C105 C106 Ru1 68.83(13) . . ?
C101 C106 H106 118.6 . . ?
C105 C106 H106 118.6 . . ?
Ru1 C106 H106 118.6 . . ?
C101 C107 H10A 109.5 . . ?
C101 C107 H10B 109.5 . . ?
H10A C107 H10B 109.5 . . ?
C101 C107 H10C 109.5 . . ?
H10A C107 H10C 109.5 . . ?
H10B C107 H10C 109.5 . . ?
C104 C108 C110 113.4(2) . . ?
C104 C108 C109 108.7(2) . . ?
C110 C108 C109 110.6(2) . . ?
C104 C108 H108 108.0 . . ?
C110 C108 H108 108.0 . . ?
C109 C108 H108 108.0 . . ?
C108 C109 H10D 109.5 . . ?
C108 C109 H10E 109.5 . . ?
H10D C109 H10E 109.5 . . ?
C108 C109 H10F 109.5 . . ?
H10D C109 H10F 109.5 . . ?
H10E C109 H10F 109.5 . . ?
C108 C110 H11A 109.5 . . ?
C108 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C108 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 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 2.0694(17) . ?
Ru1 N2 2.0888(18) . ?
Ru1 N1 2.1262(18) . ?
Ru1 C105 2.174(2) . ?
Ru1 C103 2.193(2) . ?
Ru1 C102 2.199(2) . ?
Ru1 C104 2.200(2) . ?
Ru1 C101 2.223(2) . ?
Ru1 C106 2.229(2) . ?
O1 C1 1.289(3) . ?
O2 C1 1.236(3) . ?
C1 C2 1.521(3) . ?
C2 N1 1.514(3) . ?
C2 C3 1.536(3) . ?
C2 H2 1.0000 . ?
N1 C5 1.501(3) . ?
N1 H1 1.0000 . ?
C3 C4 1.530(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.522(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
N2 O4 1.242(3) . ?
N2 O3 1.247(3) . ?
C101 C106 1.396(3) . ?
C101 C102 1.441(4) . ?
C101 C107 1.505(4) . ?
C102 C103 1.401(4) . ?
C102 H102 1.0000 . ?
C103 C104 1.434(3) . ?
C103 H103 1.0000 . ?
C104 C105 1.408(3) . ?
C104 C108 1.519(3) . ?
C105 C106 1.440(3) . ?
C105 H105 1.0000 . ?
C106 H106 1.0000 . ?
C107 H10A 0.9800 . ?
C107 H10B 0.9800 . ?
C107 H10C 0.9800 . ?
C108 C110 1.523(3) . ?
C108 C109 1.532(3) . ?
C108 H108 1.0000 . ?
C109 H10D 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 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
N1 H1 O2 1.00 2.09 2.968(3) 144.7 3_645
C3 H3A O4 0.99 2.35 3.327(3) 168.6 3_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
_geom_torsion_publ_flag
Ru1 O1 C1 O2 -177.08(18) . . . . ?
Ru1 O1 C1 C2 2.4(3) . . . . ?
O2 C1 C2 N1 -173.3(2) . . . . ?
O1 C1 C2 N1 7.2(3) . . . . ?
O2 C1 C2 C3 -53.4(3) . . . . ?
O1 C1 C2 C3 127.1(2) . . . . ?
C1 C2 N1 C5 118.7(2) . . . . ?
C3 C2 N1 C5 -5.2(2) . . . . ?
C1 C2 N1 Ru1 -12.7(2) . . . . ?
C3 C2 N1 Ru1 -136.51(17) . . . . ?
N1 C2 C3 C4 -21.1(3) . . . . ?
C1 C2 C3 C4 -143.9(2) . . . . ?
C2 C3 C4 C5 38.7(3) . . . . ?
C2 N1 C5 C4 29.7(2) . . . . ?
Ru1 N1 C5 C4 156.10(16) . . . . ?
C3 C4 C5 N1 -42.5(2) . . . . ?
C106 C101 C102 C103 0.9(3) . . . . ?
C107 C101 C102 C103 -175.1(2) . . . . ?
Ru1 C101 C102 C103 -54.3(2) . . . . ?
C106 C101 C102 Ru1 55.2(2) . . . . ?
C107 C101 C102 Ru1 -120.8(2) . . . . ?
C101 C102 C103 C104 2.1(4) . . . . ?
Ru1 C102 C103 C104 -52.5(2) . . . . ?
C101 C102 C103 Ru1 54.6(2) . . . . ?
C102 C103 C104 C105 -1.7(3) . . . . ?
Ru1 C103 C104 C105 -54.39(18) . . . . ?
C102 C103 C104 C108 176.6(2) . . . . ?
Ru1 C103 C104 C108 123.9(2) . . . . ?
C102 C103 C104 Ru1 52.7(2) . . . . ?
C103 C104 C105 C106 -1.7(3) . . . . ?
C108 C104 C105 C106 -179.9(2) . . . . ?
Ru1 C104 C105 C106 -56.3(2) . . . . ?
C103 C104 C105 Ru1 54.63(18) . . . . ?
C108 C104 C105 Ru1 -123.6(2) . . . . ?
C102 C101 C106 C105 -4.1(3) . . . . ?
C107 C101 C106 C105 171.7(2) . . . . ?
Ru1 C101 C106 C105 50.1(2) . . . . ?
C102 C101 C106 Ru1 -54.26(19) . . . . ?
C107 C101 C106 Ru1 121.6(2) . . . . ?
C104 C105 C106 C101 4.7(4) . . . . ?
Ru1 C105 C106 C101 -51.3(2) . . . . ?
C104 C105 C106 Ru1 56.0(2) . . . . ?
C105 C104 C108 C110 21.2(3) . . . . ?
C103 C104 C108 C110 -157.0(2) . . . . ?
Ru1 C104 C108 C110 -69.1(3) . . . . ?
C105 C104 C108 C109 -102.2(3) . . . . ?
C103 C104 C108 C109 79.6(3) . . . . ?
Ru1 C104 C108 C109 167.53(18) . . . . ?
