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#$Date: 2016-03-22 23:28:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179062 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/24/4302404.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_4302404
loop_
_publ_author_name
'Sipke H. Wadman'
'Remco W. A. Havenith'
'František Hartl'
'Martin Lutz'
'Anthony L. Spek'
'Gerard P. M. van Klink'
'Gerard van Koten'
_publ_contact_author_address
; Bijvoet Center for Biomolecular Research
  Crystal and Structural Chemistry
  Utrecht University
  Padualaan 8
  3584 CH Utrecht
  The Netherlands
;
_publ_contact_author_email       m.lutz@uu.nl
_publ_contact_author_fax         '[+31] 30 2533940'
_publ_contact_author_name        'Martin Lutz'
_publ_contact_author_phone       '[+31] 30 2533902'
_publ_section_title
;
Redox Chemistry and Electronic Properties of
2,3,5,6-Tetrakis(2-pyridyl)pyrazine-Bridged Diruthenium Complexes
Controlled by N,C,N'-BisCyclometalated Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5685
_journal_page_last               5696
_journal_paper_doi               10.1021/ic801897k
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C24 H22 N5 O2 Ru, F6 P'
_chemical_formula_sum            'C24 H22 F6 N5 O2 P Ru'
_chemical_formula_weight         658.51
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.389(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4400(4)
_cell_length_b                   9.8278(6)
_cell_length_c                   31.6273(18)
_cell_measurement_reflns_used    19244
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      2.17
_cell_volume                     2562.3(2)
_computing_cell_refinement       Peakref
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'EvalCCD, Sadabs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_av_sigmaI/netI    0.0540
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            21495
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    0.751
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.430
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         4464
_refine_ls_number_restraints     414
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0781P)²+12.6772P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1516
_refine_ls_wR_factor_ref         0.1647
_reflns_number_gt                3515
_reflns_number_total             4464
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic801897k_si_001.cif
_cod_data_source_block           s3495a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302404
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.95817(6) 0.51957(5) 0.123983(15) 0.01859(19) Uani 1 1 d . . .
O1 O 0.9049(6) 0.9065(5) -0.05799(15) 0.0327(12) Uani 1 1 d . . .
O2 O 0.6799(6) 0.9856(5) -0.03864(15) 0.0333(11) Uani 1 1 d . . .
N1 N 0.7361(6) 0.5977(5) 0.13215(16) 0.0198(11) Uani 1 1 d . . .
N2 N 1.1564(6) 0.4825(5) 0.09573(16) 0.0184(11) Uani 1 1 d . . .
N3 N 1.0631(6) 0.6800(5) 0.15928(16) 0.0214(12) Uani 1 1 d . . .
N4 N 1.0377(7) 0.3954(5) 0.18111(18) 0.0260(13) Uani 1 1 d . . .
N5 N 0.8468(6) 0.3547(5) 0.09397(17) 0.0224(12) Uani 1 1 d . . .
C1 C 0.6568(8) 0.5688(7) 0.1628(2) 0.0263(15) Uani 1 1 d . . .
H1 H 0.7012 0.5014 0.1835 0.032 Uiso 1 1 calc R . .
C2 C 0.5130(8) 0.6307(7) 0.1668(2) 0.0296(16) Uani 1 1 d . . .
H2 H 0.4605 0.6068 0.1895 0.036 Uiso 1 1 calc R . .
C3 C 0.4486(9) 0.7288(7) 0.1365(2) 0.0306(16) Uani 1 1 d . . .
H3 H 0.3514 0.7748 0.1384 0.037 Uiso 1 1 calc R . .
C4 C 0.5270(8) 0.7594(7) 0.1032(2) 0.0260(15) Uani 1 1 d . . .
H4 H 0.4830 0.8261 0.0822 0.031 Uiso 1 1 calc R . .
C5 C 0.6683(8) 0.6930(6) 0.1008(2) 0.0215(14) Uani 1 1 d . . .
C6 C 0.9020(8) 0.6342(6) 0.07364(19) 0.0188(13) Uani 1 1 d . . .
C7 C 0.7617(8) 0.7141(6) 0.0672(2) 0.0203(13) Uani 1 1 d . . .
C8 C 0.7287(8) 0.8024(6) 0.0320(2) 0.0221(14) Uani 1 1 d . . .
H8 H 0.6335 0.8568 0.0271 0.026 Uiso 1 1 calc R . .
C9 C 0.8357(8) 0.8111(6) 0.0039(2) 0.0218(14) Uani 1 1 d . . .
C10 C 0.9762(8) 0.7315(6) 0.0102(2) 0.0217(14) Uani 1 1 d . . .
H10 H 1.0476 0.7382 -0.0092 0.026 Uiso 1 1 calc R . .
C11 C 1.0102(7) 0.6422(6) 0.04530(19) 0.0186(13) Uani 1 1 d . . .
C12 C 1.1525(8) 0.5516(6) 0.05754(19) 0.0208(13) Uani 1 1 d . . .
C13 C 1.2736(8) 0.5349(7) 0.0346(2) 0.0256(14) Uani 1 1 d . . .
H13 H 1.2691 0.5829 0.0083 0.031 Uiso 1 1 calc R . .
C14 C 1.4027(8) 0.4467(7) 0.0506(2) 0.0290(15) Uani 1 1 d . . .
H14 H 1.4883 0.4356 0.0357 0.035 Uiso 1 1 calc R . .
C15 C 1.4037(8) 0.3768(7) 0.0880(2) 0.0283(15) Uani 1 1 d . . .
H15 H 1.4892 0.3151 0.0991 0.034 Uiso 1 1 calc R . .
C16 C 1.2793(8) 0.3965(6) 0.1097(2) 0.0248(14) Uani 1 1 d . . .
H16 H 1.2813 0.3468 0.1356 0.030 Uiso 1 1 calc R . .
C17 C 0.7972(8) 0.9092(6) -0.0324(2) 0.0247(14) Uani 1 1 d . . .
C18 C 0.8710(10) 0.9963(8) -0.0943(2) 0.043(2) Uani 1 1 d . . .
H18A H 0.7717 0.9667 -0.1144 0.064 Uiso 1 1 calc R . .
H18B H 0.9617 0.9948 -0.1091 0.064 Uiso 1 1 calc R . .
H18C H 0.8562 1.0889 -0.0844 0.064 Uiso 1 1 calc R . .
C19 C 1.1067(9) 0.7716(7) 0.1806(2) 0.0267(15) Uani 1 1 d . . .
C20 C 1.1628(11) 0.8902(8) 0.2077(3) 0.045(2) Uani 1 1 d . . .
H20A H 1.2605 0.9273 0.1999 0.067 Uiso 1 1 calc R . .
H20B H 1.1878 0.8629 0.2382 0.067 Uiso 1 1 calc R . .
H20C H 1.0776 0.9597 0.2031 0.067 Uiso 1 1 calc R . .
C21 C 1.0941(9) 0.3303(7) 0.2104(2) 0.0293(16) Uani 1 1 d . . .
C22 C 1.1683(11) 0.2461(8) 0.2472(2) 0.042(2) Uani 1 1 d . . .
H22A H 1.2669 0.2037 0.2416 0.063 Uiso 1 1 calc R . .
H22B H 1.0918 0.1752 0.2516 0.063 Uiso 1 1 calc R . .
H22C H 1.1962 0.3029 0.2733 0.063 Uiso 1 1 calc R . .
C23 C 0.7843(8) 0.2558(7) 0.0794(2) 0.0265(15) Uani 1 1 d . . .
C24 C 0.7053(9) 0.1306(7) 0.0628(3) 0.0398(19) Uani 1 1 d . . .
H24A H 0.7053 0.0675 0.0868 0.060 Uiso 1 1 calc R . .
H24B H 0.7638 0.0895 0.0424 0.060 Uiso 1 1 calc R . .
H24C H 0.5933 0.1498 0.0479 0.060 Uiso 1 1 calc R . .
P1 P 0.6284(2) 0.10698(19) 0.19580(6) 0.0378(5) Uani 1 1 d D . .
F1A F 0.6971(10) 0.2223(7) 0.1701(3) 0.078(3) Uani 0.65 1 d PDU A 1
F2A F 0.7936(8) 0.1091(7) 0.2314(2) 0.064(2) Uani 0.65 1 d PDU A 1
F3A F 0.7066(11) -0.0047(7) 0.1707(3) 0.092(3) Uani 0.65 1 d PDU A 1
F4A F 0.4671(9) 0.1029(9) 0.1609(3) 0.106(4) Uani 0.65 1 d PDU A 1
F5A F 0.5561(10) 0.2184(8) 0.2222(3) 0.103(4) Uani 0.65 1 d PDU A 1
F6A F 0.5637(11) -0.0081(8) 0.2227(3) 0.105(4) Uani 0.65 1 d PDU A 1
F1B F 0.6935(17) 0.2535(9) 0.1893(4) 0.077(6) Uani 0.35 1 d PDU A 2
F2B F 0.695(2) 0.1171(15) 0.2459(2) 0.131(9) Uani 0.35 1 d PDU A 2
F3B F 0.7926(13) 0.0426(14) 0.1898(6) 0.112(8) Uani 0.35 1 d PDU A 2
F4B F 0.5586(19) 0.0951(14) 0.1452(2) 0.084(6) Uani 0.35 1 d PDU A 2
F5B F 0.4610(13) 0.1697(14) 0.2009(6) 0.118(8) Uani 0.35 1 d PDU A 2
F6B F 0.5607(16) -0.0407(8) 0.2016(4) 0.064(5) Uani 0.35 1 d PDU 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 0.0033 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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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
C6 Ru1 N5 94.2(2) . . ?
C6 Ru1 N3 90.1(2) . . ?
N5 Ru1 N3 174.6(2) . . ?
C6 Ru1 N2 80.0(2) . . ?
N5 Ru1 N2 89.6(2) . . ?
N3 Ru1 N2 94.4(2) . . ?
C6 Ru1 N1 79.6(2) . . ?
N5 Ru1 N1 90.8(2) . . ?
N3 Ru1 N1 86.8(2) . . ?
N2 Ru1 N1 159.5(2) . . ?
C6 Ru1 N4 176.2(2) . . ?
N5 Ru1 N4 88.2(2) . . ?
N3 Ru1 N4 87.6(2) . . ?
N2 Ru1 N4 97.2(2) . . ?
N1 Ru1 N4 103.3(2) . . ?
C17 O1 C18 115.4(6) . . ?
C1 N1 C5 118.1(6) . . ?
C1 N1 Ru1 128.3(5) . . ?
C5 N1 Ru1 113.6(4) . . ?
C16 N2 C12 118.1(5) . . ?
C16 N2 Ru1 127.1(4) . . ?
C12 N2 Ru1 114.7(4) . . ?
C19 N3 Ru1 172.6(5) . . ?
C21 N4 Ru1 173.4(6) . . ?
C23 N5 Ru1 175.4(5) . . ?
N1 C1 C2 124.2(6) . . ?
N1 C1 H1 117.9 . . ?
C2 C1 H1 117.9 . . ?
C3 C2 C1 117.6(7) . . ?
C3 C2 H2 121.2 . . ?
C1 C2 H2 121.2 . . ?
C2 C3 C4 119.7(7) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 119.8(6) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 N1 120.6(6) . . ?
C4 C5 C7 125.4(6) . . ?
N1 C5 C7 114.0(5) . . ?
C7 C6 C11 121.3(6) . . ?
C7 C6 Ru1 120.0(5) . . ?
C11 C6 Ru1 118.6(5) . . ?
C8 C7 C6 119.0(6) . . ?
C8 C7 C5 128.4(6) . . ?
C6 C7 C5 112.7(6) . . ?
C7 C8 C9 120.0(6) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C10 121.3(6) . . ?
C8 C9 C17 117.9(6) . . ?
C10 C9 C17 120.8(6) . . ?
C11 C10 C9 119.2(6) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C6 119.3(6) . . ?
C10 C11 C12 127.1(6) . . ?
C6 C11 C12 113.6(5) . . ?
N2 C12 C13 121.2(6) . . ?
N2 C12 C11 113.0(5) . . ?
C13 C12 C11 125.8(6) . . ?
C12 C13 C14 119.3(6) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C15 C14 C13 118.9(6) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 119.6(6) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
N2 C16 C15 122.7(6) . . ?
N2 C16 H16 118.6 . . ?
C15 C16 H16 118.6 . . ?
O2 C17 O1 122.9(6) . . ?
O2 C17 C9 124.1(6) . . ?
O1 C17 C9 113.0(6) . . ?
O1 C18 H18A 109.5 . . ?
O1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N3 C19 C20 179.5(7) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N4 C21 C22 178.8(8) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 C24 177.9(8) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
F2B P1 F1B 90.9(4) . . ?
F2B P1 F3B 90.8(4) . . ?
F1B P1 F3B 90.6(4) . . ?
F4A P1 F5A 90.8(3) . . ?
F4A P1 F1A 90.9(3) . . ?
F5A P1 F1A 90.0(3) . . ?
F4A P1 F3A 91.3(3) . . ?
F5A P1 F3A 177.9(4) . . ?
F1A P1 F3A 90.0(3) . . ?
F4A P1 F6A 90.7(3) . . ?
F5A P1 F6A 89.7(3) . . ?
F1A P1 F6A 178.4(4) . . ?
F3A P1 F6A 90.2(3) . . ?
F2B P1 F5B 90.3(4) . . ?
F1B P1 F5B 90.1(4) . . ?
F3B P1 F5B 178.7(5) . . ?
F2B P1 F6B 90.0(4) . . ?
F1B P1 F6B 179.0(5) . . ?
F3B P1 F6B 89.7(4) . . ?
F5B P1 F6B 89.6(4) . . ?
F2B P1 F4B 179.0(5) . . ?
F1B P1 F4B 90.0(4) . . ?
F3B P1 F4B 89.7(4) . . ?
F5B P1 F4B 89.2(4) . . ?
F6B P1 F4B 89.1(4) . . ?
F4A P1 F2A 179.3(4) . . ?
F5A P1 F2A 89.8(3) . . ?
F1A P1 F2A 89.6(3) . . ?
F3A P1 F2A 88.1(3) . . ?
F6A P1 F2A 88.8(3) . . ?
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 C6 1.925(6) . ?
Ru1 N5 2.007(5) . ?
Ru1 N3 2.023(5) . ?
Ru1 N2 2.091(5) . ?
Ru1 N1 2.092(5) . ?
Ru1 N4 2.164(5) . ?
O1 C17 1.342(8) . ?
O1 C18 1.428(8) . ?
O2 C17 1.224(8) . ?
N1 C1 1.323(8) . ?
N1 C5 1.395(8) . ?
N2 C16 1.337(8) . ?
N2 C12 1.380(8) . ?
N3 C19 1.137(8) . ?
N4 C21 1.142(8) . ?
N5 C23 1.153(8) . ?
C1 C2 1.387(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.386(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(9) . ?
C4 H4 0.9500 . ?
C5 C7 1.468(9) . ?
C6 C7 1.398(9) . ?
C6 C11 1.413(9) . ?
C7 C8 1.392(9) . ?
C8 C9 1.399(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.399(9) . ?
C9 C17 1.480(9) . ?
C10 C11 1.397(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.478(9) . ?
C12 C13 1.384(9) . ?
C13 C14 1.399(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.368(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(10) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.464(10) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.457(10) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.444(9) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
P1 F4A 1.559(6) . ?
P1 F2B 1.565(7) . ?
P1 F1B 1.570(6) . ?
P1 F3B 1.571(7) . ?
P1 F5A 1.576(6) . ?
P1 F1A 1.576(5) . ?
P1 F3A 1.579(6) . ?
P1 F6A 1.580(6) . ?
P1 F5B 1.580(7) . ?
P1 F6B 1.584(6) . ?
P1 F4B 1.588(6) . ?
P1 F2A 1.594(5) . ?
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
C6 Ru1 N1 C1 177.3(6) . . . . ?
N5 Ru1 N1 C1 83.1(5) . . . . ?
N3 Ru1 N1 C1 -92.0(5) . . . . ?
N2 Ru1 N1 C1 174.2(5) . . . . ?
N4 Ru1 N1 C1 -5.2(6) . . . . ?
C6 Ru1 N1 C5 -3.5(4) . . . . ?
N5 Ru1 N1 C5 -97.6(4) . . . . ?
N3 Ru1 N1 C5 87.2(4) . . . . ?
N2 Ru1 N1 C5 -6.6(8) . . . . ?
N4 Ru1 N1 C5 174.0(4) . . . . ?
C6 Ru1 N2 C16 -177.2(5) . . . . ?
N5 Ru1 N2 C16 -82.9(5) . . . . ?
N3 Ru1 N2 C16 93.5(5) . . . . ?
N1 Ru1 N2 C16 -174.1(5) . . . . ?
N4 Ru1 N2 C16 5.3(5) . . . . ?
C6 Ru1 N2 C12 -0.3(4) . . . . ?
N5 Ru1 N2 C12 94.1(4) . . . . ?
N3 Ru1 N2 C12 -89.6(4) . . . . ?
N1 Ru1 N2 C12 2.9(8) . . . . ?
N4 Ru1 N2 C12 -177.7(4) . . . . ?
C5 N1 C1 C2 -2.3(9) . . . . ?
Ru1 N1 C1 C2 176.9(5) . . . . ?
N1 C1 C2 C3 0.2(10) . . . . ?
C1 C2 C3 C4 1.3(10) . . . . ?
C2 C3 C4 C5 -0.5(10) . . . . ?
C3 C4 C5 N1 -1.7(9) . . . . ?
C3 C4 C5 C7 179.1(6) . . . . ?
C1 N1 C5 C4 3.1(9) . . . . ?
Ru1 N1 C5 C4 -176.3(5) . . . . ?
C1 N1 C5 C7 -177.7(5) . . . . ?
Ru1 N1 C5 C7 3.0(6) . . . . ?
N5 Ru1 C6 C7 93.4(5) . . . . ?
N3 Ru1 C6 C7 -83.3(5) . . . . ?
N2 Ru1 C6 C7 -177.7(5) . . . . ?
N1 Ru1 C6 C7 3.4(5) . . . . ?
N5 Ru1 C6 C11 -90.7(5) . . . . ?
N3 Ru1 C6 C11 92.6(5) . . . . ?
N2 Ru1 C6 C11 -1.8(4) . . . . ?
N1 Ru1 C6 C11 179.3(5) . . . . ?
C11 C6 C7 C8 0.3(9) . . . . ?
Ru1 C6 C7 C8 176.1(4) . . . . ?
C11 C6 C7 C5 -178.5(5) . . . . ?
Ru1 C6 C7 C5 -2.7(7) . . . . ?
C4 C5 C7 C8 0.1(11) . . . . ?
N1 C5 C7 C8 -179.1(6) . . . . ?
C4 C5 C7 C6 178.8(6) . . . . ?
N1 C5 C7 C6 -0.5(8) . . . . ?
C6 C7 C8 C9 -0.5(9) . . . . ?
C5 C7 C8 C9 178.1(6) . . . . ?
C7 C8 C9 C10 0.5(9) . . . . ?
C7 C8 C9 C17 -178.4(5) . . . . ?
C8 C9 C10 C11 -0.2(9) . . . . ?
C17 C9 C10 C11 178.6(6) . . . . ?
C9 C10 C11 C6 0.0(9) . . . . ?
C9 C10 C11 C12 -179.2(6) . . . . ?
C7 C6 C11 C10 -0.1(9) . . . . ?
Ru1 C6 C11 C10 -175.9(4) . . . . ?
C7 C6 C11 C12 179.3(5) . . . . ?
Ru1 C6 C11 C12 3.4(7) . . . . ?
C16 N2 C12 C13 -1.2(8) . . . . ?
Ru1 N2 C12 C13 -178.5(5) . . . . ?
C16 N2 C12 C11 179.3(5) . . . . ?
Ru1 N2 C12 C11 2.1(6) . . . . ?
C10 C11 C12 N2 175.8(6) . . . . ?
C6 C11 C12 N2 -3.4(7) . . . . ?
C10 C11 C12 C13 -3.6(10) . . . . ?
C6 C11 C12 C13 177.2(6) . . . . ?
N2 C12 C13 C14 -0.3(9) . . . . ?
C11 C12 C13 C14 179.1(6) . . . . ?
C12 C13 C14 C15 1.5(10) . . . . ?
C13 C14 C15 C16 -1.2(10) . . . . ?
C12 N2 C16 C15 1.6(9) . . . . ?
Ru1 N2 C16 C15 178.5(5) . . . . ?
C14 C15 C16 N2 -0.3(10) . . . . ?
C18 O1 C17 O2 -2.0(9) . . . . ?
C18 O1 C17 C9 178.2(6) . . . . ?
C8 C9 C17 O2 2.0(10) . . . . ?
C10 C9 C17 O2 -177.0(6) . . . . ?
C8 C9 C17 O1 -178.2(5) . . . . ?
C10 C9 C17 O1 2.9(8) . . . . ?
