#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/45/4324509.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_4324509
loop_
_publ_author_name
'Abhishek Dutta Chowdhury'
'Amit Das'
'Irshad K'
'Shaikh M. Mobin'
'Goutam Kumar Lahiri'
_publ_section_title
;
 Isomeric Complexes of [RuII(trpy)(L)Cl] (trpy = 2,2':6',2''-Terpyridine
 and HL = Quinaldic Acid): Preference of Isomeric Structural Form in
 Catalytic Chemoselective Epoxidation Process
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1775
_journal_page_last               1785
_journal_paper_doi               10.1021/ic102195w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C27 H22 Cl5 N4 O2.5 Ru'
_chemical_formula_weight         720.81
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.180(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4741(5)
_cell_length_b                   30.782(2)
_cell_length_c                   11.1688(9)
_cell_measurement_reflns_used    3620
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.8350
_cell_measurement_theta_min      3.2471
_cell_volume                     2824.6(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1148
_diffrn_reflns_av_sigmaI/netI    0.1717
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            21267
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    1.064
_exptl_absorpt_correction_T_max  0.7919
_exptl_absorpt_correction_T_min  0.7203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_description       block
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.602
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         4961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.912
_refine_ls_R_factor_all          0.1272
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0648P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1434
_refine_ls_wR_factor_ref         0.1556
_reflns_number_gt                2450
_reflns_number_total             4961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102195w_si_002.cif
_cod_data_source_block           1
_cod_original_cell_volume        2824.6(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C27 H22 Cl5 N4 O2.50 Ru'
_cod_database_code               4324509
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.68832(7) 0.10803(2) 0.49228(7) 0.0279(2) Uani 1 1 d .
Cl1 Cl 0.5232(2) 0.15610(7) 0.3425(2) 0.0355(6) Uani 1 1 d .
O1 O 0.8174(6) 0.0631(2) 0.6151(6) 0.0346(15) Uani 1 1 d .
O2 O 0.9312(9) 0.0501(3) 0.8124(7) 0.081(3) Uani 1 1 d .
N1 N 0.7876(7) 0.1471(2) 0.6508(7) 0.0309(18) Uani 1 1 d .
N2 N 0.4768(7) 0.0861(2) 0.5344(6) 0.0297(17) Uani 1 1 d .
N3 N 0.6207(7) 0.0642(2) 0.3659(6) 0.0272(17) Uani 1 1 d .
N4 N 0.8731(7) 0.1129(2) 0.4041(6) 0.0311(18) Uani 1 1 d .
C1 C 0.8680(10) 0.0750(3) 0.7229(11) 0.042(3) Uani 1 1 d .
C2 C 0.8582(9) 0.1226(3) 0.7488(9) 0.040(3) Uani 1 1 d .
C3 C 0.9281(10) 0.1398(4) 0.8646(9) 0.045(3) Uani 1 1 d .
H3 H 0.9770 0.1210 0.9306 0.054 Uiso 1 1 calc R
C4 C 0.9272(11) 0.1826(4) 0.8840(10) 0.060(3) Uani 1 1 d .
H4 H 0.9729 0.1941 0.9640 0.072 Uiso 1 1 calc R
C5 C 0.8582(10) 0.2106(3) 0.7855(9) 0.043(3) Uani 1 1 d .
C6 C 0.8576(11) 0.2559(4) 0.7951(10) 0.054(3) Uani 1 1 d .
H6 H 0.9049 0.2690 0.8726 0.065 Uiso 1 1 calc R
C7 C 0.7934(12) 0.2813(4) 0.6997(10) 0.054(3) Uani 1 1 d .
H7 H 0.7954 0.3119 0.7094 0.065 Uiso 1 1 calc R
C8 C 0.7234(11) 0.2629(3) 0.5859(10) 0.050(3) Uani 1 1 d .
H8 H 0.6769 0.2811 0.5177 0.060 Uiso 1 1 calc R
C9 C 0.7206(11) 0.2194(4) 0.5712(9) 0.049(3) Uani 1 1 d .
H9 H 0.6707 0.2074 0.4928 0.059 Uiso 1 1 calc R
C10 C 0.7890(9) 0.1920(3) 0.6680(8) 0.036(2) Uani 1 1 d .
C11 C 0.4158(9) 0.0994(3) 0.6296(8) 0.036(2) Uani 1 1 d .
H11 H 0.4718 0.1209 0.6849 0.044 Uiso 1 1 calc R
C12 C 0.2711(9) 0.0817(3) 0.6474(9) 0.038(2) Uani 1 1 d .
H12 H 0.2266 0.0919 0.7124 0.045 Uiso 1 1 calc R
C13 C 0.1945(10) 0.0495(3) 0.5697(8) 0.037(2) Uani 1 1 d .
H13 H 0.0965 0.0370 0.5805 0.044 Uiso 1 1 calc R
C14 C 0.2610(9) 0.0356(3) 0.4759(8) 0.031(2) Uani 1 1 d .
H14 H 0.2099 0.0129 0.4228 0.037 Uiso 1 1 calc R
C15 C 0.4016(9) 0.0544(3) 0.4583(7) 0.0242(19) Uani 1 1 d .
C16 C 0.4807(8) 0.0417(3) 0.3606(8) 0.028(2) Uani 1 1 d .
C17 C 0.4291(9) 0.0113(3) 0.2694(8) 0.033(2) Uani 1 1 d .
H17 H 0.3302 -0.0041 0.2633 0.039 Uiso 1 1 calc R
C18 C 0.5228(10) 0.0034(3) 0.1873(8) 0.040(2) Uani 1 1 d .
H18 H 0.4885 -0.0182 0.1256 0.048 Uiso 1 1 calc R
C19 C 0.6662(10) 0.0260(3) 0.1913(8) 0.038(2) Uani 1 1 d .
H19 H 0.7292 0.0206 0.1332 0.045 Uiso 1 1 calc R
C20 C 0.7133(9) 0.0569(3) 0.2842(8) 0.029(2) Uani 1 1 d .
C21 C 0.8566(10) 0.0857(3) 0.3038(8) 0.035(2) Uani 1 1 d .
C22 C 0.9679(10) 0.0847(3) 0.2308(8) 0.043(3) Uani 1 1 d .
H22 H 0.9566 0.0650 0.1636 0.052 Uiso 1 1 calc R
C23 C 1.0974(9) 0.1142(3) 0.2614(9) 0.041(2) Uani 1 1 d .
H23 H 1.1739 0.1153 0.2119 0.049 Uiso 1 1 calc R
C24 C 1.1166(10) 0.1409(3) 0.3591(10) 0.042(3) Uani 1 1 d .
H24 H 1.2068 0.1602 0.3791 0.050 Uiso 1 1 calc R
C25 C 1.0019(9) 0.1402(3) 0.4315(8) 0.034(2) Uani 1 1 d .
H25 H 1.0153 0.1591 0.5004 0.041 Uiso 1 1 calc R
C111 C 0.3700(18) 0.2410(5) 0.7205(14) 0.132(7) Uani 1 1 d .
H11A H 0.4860 0.2344 0.7264 0.158 Uiso 1 1 calc R
H11B H 0.3647 0.2659 0.7754 0.158 Uiso 1 1 calc R
C222 C 0.4359(12) 0.3761(4) 0.5325(10) 0.066(3) Uani 1 1 d .
H22A H 0.3834 0.3479 0.5052 0.080 Uiso 1 1 calc R
H22B H 0.4721 0.3755 0.6238 0.080 Uiso 1 1 calc R
Cl11 Cl 0.2708(5) 0.25486(18) 0.5647(4) 0.145(2) Uani 1 1 d .
Cl22 Cl 0.2812(6) 0.19830(16) 0.7652(4) 0.1401(17) Uani 1 1 d .
Cl33 Cl 0.6089(3) 0.38189(11) 0.4715(3) 0.0704(9) Uani 1 1 d .
Cl44 Cl 0.2966(3) 0.41599(11) 0.4901(3) 0.0726(9) Uani 1 1 d .
O101 O 0.913(3) 0.0104(8) 0.024(2) 0.106(7) Uani 0.50 1 d P
H111 H 0.936(17) -0.015(4) -0.057(10) 0.09(4) Uiso 1 1 d .
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
N3 Ru1 N4 79.9(3) .
N3 Ru1 O1 91.8(3) .
N4 Ru1 O1 91.5(2) .
N3 Ru1 N2 79.7(3) .
N4 Ru1 N2 159.6(3) .
O1 Ru1 N2 88.7(2) .
N3 Ru1 N1 169.7(3) .
N4 Ru1 N1 99.5(3) .
O1 Ru1 N1 77.9(3) .
N2 Ru1 N1 100.5(3) .
N3 Ru1 Cl1 84.45(19) .
N4 Ru1 Cl1 90.20(19) .
O1 Ru1 Cl1 175.59(18) .
N2 Ru1 Cl1 88.27(18) .
N1 Ru1 Cl1 105.9(2) .
C1 O1 Ru1 116.8(6) .
C2 N1 C10 117.2(7) .
C2 N1 Ru1 111.4(6) .
C10 N1 Ru1 131.3(6) .
C15 N2 C11 120.1(7) .
C15 N2 Ru1 113.2(6) .
C11 N2 Ru1 126.7(6) .
C20 N3 C16 121.7(7) .
C20 N3 Ru1 119.2(5) .
C16 N3 Ru1 119.1(6) .
C25 N4 C21 118.5(7) .
C25 N4 Ru1 127.4(6) .
C21 N4 Ru1 114.1(5) .
O1 C1 O2 124.8(10) .
O1 C1 C2 117.2(9) .
O2 C1 C2 118.0(10) .
N1 C2 C3 123.2(9) .
N1 C2 C1 115.2(9) .
C3 C2 C1 121.4(9) .
C4 C3 C2 120.6(10) .
C4 C3 H3 119.7 .
C2 C3 H3 119.7 .
C3 C4 C5 119.7(10) .
C3 C4 H4 120.2 .
C5 C4 H4 120.2 .
C6 C5 C4 124.0(10) .
C6 C5 C10 117.6(9) .
C4 C5 C10 118.3(10) .
C7 C6 C5 122.3(10) .
C7 C6 H6 118.9 .
C5 C6 H6 118.9 .
C6 C7 C8 119.8(11) .
C6 C7 H7 120.1 .
C8 C7 H7 120.1 .
C9 C8 C7 120.5(10) .
C9 C8 H8 119.8 .
C7 C8 H8 119.8 .
C8 C9 C10 121.3(10) .
C8 C9 H9 119.4 .
C10 C9 H9 119.4 .
C9 C10 N1 120.6(9) .
C9 C10 C5 118.5(10) .
N1 C10 C5 120.9(9) .
N2 C11 C12 120.7(8) .
N2 C11 H11 119.7 .
C12 C11 H11 119.7 .
C13 C12 C11 119.1(9) .
C13 C12 H12 120.4 .
C11 C12 H12 120.4 .
C12 C13 C14 119.3(8) .
C12 C13 H13 120.4 .
C14 C13 H13 120.4 .
C13 C14 C15 120.5(8) .
C13 C14 H14 119.7 .
C15 C14 H14 119.7 .
N2 C15 C14 120.3(8) .
N2 C15 C16 115.5(7) .
C14 C15 C16 124.2(8) .
N3 C16 C17 119.7(8) .
N3 C16 C15 112.5(7) .
C17 C16 C15 127.8(7) .
C18 C17 C16 118.9(8) .
C18 C17 H17 120.5 .
C16 C17 H17 120.5 .
C17 C18 C19 122.3(9) .
C17 C18 H18 118.9 .
C19 C18 H18 118.9 .
C18 C19 C20 117.0(8) .
C18 C19 H19 121.5 .
C20 C19 H19 121.5 .
N3 C20 C19 120.4(7) .
N3 C20 C21 113.0(8) .
C19 C20 C21 126.6(8) .
N4 C21 C22 122.8(8) .
N4 C21 C20 113.7(7) .
C22 C21 C20 123.5(9) .
C21 C22 C23 116.5(10) .
C21 C22 H22 121.8 .
C23 C22 H22 121.8 .
C24 C23 C22 121.8(8) .
C24 C23 H23 119.1 .
C22 C23 H23 119.1 .
C23 C24 C25 119.5(8) .
C23 C24 H24 120.2 .
C25 C24 H24 120.2 .
N4 C25 C24 120.9(9) .
N4 C25 H25 119.6 .
C24 C25 H25 119.6 .
Cl22 C111 Cl11 110.1(7) .
Cl22 C111 H11A 109.6 .
Cl11 C111 H11A 109.6 .
Cl22 C111 H11B 109.6 .
Cl11 C111 H11B 109.6 .
H11A C111 H11B 108.2 .
Cl44 C222 Cl33 114.0(6) .
Cl44 C222 H22A 108.7 .
Cl33 C222 H22A 108.7 .
Cl44 C222 H22B 108.7 .
Cl33 C222 H22B 108.7 .
H22A C222 H22B 107.6 .
O101 O101 H111 44(6) 3_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N3 1.934(7) .
Ru1 N4 2.049(6) .
Ru1 O1 2.064(6) .
Ru1 N2 2.074(7) .
Ru1 N1 2.136(7) .
Ru1 Cl1 2.408(2) .
O1 C1 1.231(11) .
O2 C1 1.268(11) .
N1 C2 1.343(11) .
N1 C10 1.395(11) .
N2 C15 1.349(10) .
N2 C11 1.354(10) .
N3 C20 1.360(10) .
N3 C16 1.363(9) .
N4 C25 1.352(10) .
N4 C21 1.379(11) .
C1 C2 1.501(13) .
C2 C3 1.388(12) .
C3 C4 1.335(14) .
C3 H3 0.9500 .
C4 C5 1.407(14) .
C4 H4 0.9500 .
C5 C6 1.399(14) .
C5 C10 1.421(12) .
C6 C7 1.324(14) .
C6 H6 0.9500 .
C7 C8 1.385(13) .
C7 H7 0.9500 .
C8 C9 1.349(13) .
C8 H8 0.9500 .
C9 C10 1.381(12) .
C9 H9 0.9500 .
C11 C12 1.400(11) .
C11 H11 0.9500 .
C12 C13 1.371(12) .
C12 H12 0.9500 .
C13 C14 1.373(12) .
C13 H13 0.9500 .
C14 C15 1.380(10) .
C14 H14 0.9500 .
C15 C16 1.467(11) .
C16 C17 1.374(11) .
C17 C18 1.374(12) .
C17 H17 0.9500 .
C18 C19 1.391(11) .
C18 H18 0.9500 .
C19 C20 1.392(12) .
C19 H19 0.9500 .
C20 C21 1.475(11) .
C21 C22 1.390(12) .
C22 C23 1.401(13) .
C22 H22 0.9500 .
C23 C24 1.345(13) .
C23 H23 0.9500 .
C24 C25 1.408(12) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C111 Cl22 1.652(13) .
C111 Cl11 1.788(15) .
C111 H11A 0.9900 .
C111 H11B 0.9900 .
C222 Cl44 1.687(11) .
C222 Cl33 1.771(10) .
C222 H22A 0.9900 .
C222 H22B 0.9900 .
O101 O101 1.80(3) 3_755
O101 H111 1.24(13) .
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
N3 Ru1 O1 C1 -169.5(6)
N4 Ru1 O1 C1 110.5(6)
N2 Ru1 O1 C1 -89.9(6)
N1 Ru1 O1 C1 11.1(6)
Cl1 Ru1 O1 C1 -137(2)
N3 Ru1 N1 C2 -12.4(18)
N4 Ru1 N1 C2 -98.3(6)
O1 Ru1 N1 C2 -8.8(5)
N2 Ru1 N1 C2 77.6(6)
Cl1 Ru1 N1 C2 168.8(5)
N3 Ru1 N1 C10 168.4(13)
N4 Ru1 N1 C10 82.4(7)
O1 Ru1 N1 C10 171.9(7)
N2 Ru1 N1 C10 -101.7(7)
Cl1 Ru1 N1 C10 -10.5(7)
N3 Ru1 N2 C15 0.0(5)
N4 Ru1 N2 C15 -1.2(11)
O1 Ru1 N2 C15 -92.0(6)
N1 Ru1 N2 C15 -169.5(5)
Cl1 Ru1 N2 C15 84.7(5)
N3 Ru1 N2 C11 177.5(7)
N4 Ru1 N2 C11 176.2(7)
O1 Ru1 N2 C11 85.4(7)
N1 Ru1 N2 C11 8.0(7)
Cl1 Ru1 N2 C11 -97.9(7)
N4 Ru1 N3 C20 -0.2(6)
O1 Ru1 N3 C20 -91.4(6)
N2 Ru1 N3 C20 -179.7(6)
N1 Ru1 N3 C20 -87.9(16)
Cl1 Ru1 N3 C20 91.0(6)
N4 Ru1 N3 C16 -179.8(6)
O1 Ru1 N3 C16 89.0(6)
N2 Ru1 N3 C16 0.7(6)
N1 Ru1 N3 C16 92.5(15)
Cl1 Ru1 N3 C16 -88.6(6)
N3 Ru1 N4 C25 179.6(7)
O1 Ru1 N4 C25 -88.8(7)
N2 Ru1 N4 C25 -179.2(7)
N1 Ru1 N4 C25 -10.9(7)
Cl1 Ru1 N4 C25 95.3(7)
N3 Ru1 N4 C21 1.8(6)
O1 Ru1 N4 C21 93.4(6)
N2 Ru1 N4 C21 3.0(11)
N1 Ru1 N4 C21 171.3(6)
Cl1 Ru1 N4 C21 -82.5(6)
Ru1 O1 C1 O2 170.8(7)
Ru1 O1 C1 C2 -11.1(10)
C10 N1 C2 C3 1.3(12)
Ru1 N1 C2 C3 -178.1(7)
C10 N1 C2 C1 -174.4(7)
Ru1 N1 C2 C1 6.3(9)
O1 C1 C2 N1 2.8(11)
O2 C1 C2 N1 -179.0(8)
O1 C1 C2 C3 -172.9(8)
O2 C1 C2 C3 5.3(13)
N1 C2 C3 C4 0.4(14)
C1 C2 C3 C4 175.8(9)
C2 C3 C4 C5 -1.5(15)
C3 C4 C5 C6 -177.1(10)
C3 C4 C5 C10 1.0(15)
C4 C5 C6 C7 179.0(10)
C10 C5 C6 C7 0.9(15)
C5 C6 C7 C8 0.2(16)
C6 C7 C8 C9 -0.3(15)
C7 C8 C9 C10 -0.9(15)
C8 C9 C10 N1 -178.9(8)
C8 C9 C10 C5 2.1(14)
C2 N1 C10 C9 179.2(8)
Ru1 N1 C10 C9 -1.6(12)
C2 N1 C10 C5 -1.8(11)
Ru1 N1 C10 C5 177.4(6)
C6 C5 C10 C9 -2.0(13)
C4 C5 C10 C9 179.7(9)
C6 C5 C10 N1 178.9(8)
C4 C5 C10 N1 0.7(13)
C15 N2 C11 C12 -2.6(12)
Ru1 N2 C11 C12 -179.9(6)
N2 C11 C12 C13 2.3(13)
C11 C12 C13 C14 -0.4(13)
C12 C13 C14 C15 -1.3(13)
C11 N2 C15 C14 0.9(11)
Ru1 N2 C15 C14 178.5(6)
C11 N2 C15 C16 -178.3(7)
Ru1 N2 C15 C16 -0.7(8)
C13 C14 C15 N2 1.1(12)
C13 C14 C15 C16 -179.8(8)
C20 N3 C16 C17 -1.2(12)
Ru1 N3 C16 C17 178.4(6)
C20 N3 C16 C15 179.2(7)
Ru1 N3 C16 C15 -1.2(9)
N2 C15 C16 N3 1.2(10)
C14 C15 C16 N3 -178.0(7)
N2 C15 C16 C17 -178.3(8)
C14 C15 C16 C17 2.5(13)
N3 C16 C17 C18 1.8(12)
C15 C16 C17 C18 -178.7(8)
C16 C17 C18 C19 -1.7(13)
C17 C18 C19 C20 0.9(13)
C16 N3 C20 C19 0.5(12)
Ru1 N3 C20 C19 -179.1(6)
C16 N3 C20 C21 178.2(7)
Ru1 N3 C20 C21 -1.4(9)
C18 C19 C20 N3 -0.3(12)
C18 C19 C20 C21 -177.7(8)
C25 N4 C21 C22 0.9(12)
Ru1 N4 C21 C22 179.0(6)
C25 N4 C21 C20 179.0(7)
Ru1 N4 C21 C20 -3.0(9)
N3 C20 C21 N4 2.8(10)
C19 C20 C21 N4 -179.6(8)
N3 C20 C21 C22 -179.1(8)
C19 C20 C21 C22 -1.5(14)
N4 C21 C22 C23 -2.2(12)
C20 C21 C22 C23 179.9(8)
C21 C22 C23 C24 2.4(13)
C22 C23 C24 C25 -1.4(14)
C21 N4 C25 C24 0.2(12)
Ru1 N4 C25 C24 -177.5(6)
C23 C24 C25 N4 0.1(13)
