#------------------------------------------------------------------------------
#$Date: 2020-12-09 05:19:06 +0200 (Wed, 09 Dec 2020) $
#$Revision: 259697 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/58/7705887.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_7705887
loop_
_publ_author_name
'Sevim, Mehmet'
'Kavukcu, Serdar Batıkan'
'Kınal, Armağan'
'Şahin, Onur'
'Türkmen, Hayati'
_publ_section_title
;
 C-C coupling formation using nitron complexes.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16903
_journal_page_last               16915
_journal_paper_doi               10.1039/d0dt02937h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C30 H29 Cl N4 Ru'
_chemical_formula_sum            'C30 H29 Cl N4 Ru'
_chemical_formula_weight         582.09
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-12-04 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                100.477(5)
_cell_angle_beta                 109.614(4)
_cell_angle_gamma                110.590(5)
_cell_formula_units_Z            2
_cell_length_a                   9.6026(9)
_cell_length_b                   12.3020(13)
_cell_length_c                   13.6024(15)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.93
_cell_volume                     1332.5(3)
_computing_cell_refinement       'SAINT(Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Mercury (Macrae, 2008)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0790
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            44857
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.361
_diffrn_reflns_theta_min         2.925
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_description       prism
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.656
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         6549
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0782
_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)+15.5090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1674
_refine_ls_wR_factor_ref         0.1764
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5268
_reflns_number_total             6549
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02937h2.cif
_cod_data_source_block           shelx_CCDC1
_cod_original_cell_volume        1332.5(2)
_cod_database_code               7705887
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
C1 C 0.8309(10) 0.5553(7) 0.7067(6) 0.0399(17) Uani 1 1 d . . . . .
C2 C 0.8930(9) 0.5774(7) 0.6274(7) 0.0404(17) Uani 1 1 d . . . . .
H2 H 0.9993 0.6387 0.6509 0.049 Uiso 1 1 calc R U . . .
C3 C 0.7973(9) 0.5088(7) 0.5153(6) 0.0374(16) Uani 1 1 d . . . . .
H3 H 0.8427 0.5217 0.4654 0.045 Uiso 1 1 calc R U . . .
C4 C 0.6290(9) 0.4180(6) 0.4750(6) 0.0350(16) Uani 1 1 d . . . . .
C5 C 0.5636(9) 0.4030(6) 0.5506(6) 0.0349(15) Uani 1 1 d . . . . .
H5 H 0.4522 0.3511 0.5259 0.042 Uiso 1 1 calc R U . . .
C6 C 0.6659(9) 0.4666(7) 0.6662(6) 0.0369(16) Uani 1 1 d . . . . .
H6 H 0.6227 0.4492 0.7163 0.044 Uiso 1 1 calc R U . . .
C7 C 0.5296(10) 0.3413(8) 0.3544(6) 0.048(2) Uani 1 1 d . . . . .
H7A H 0.4244 0.2810 0.3430 0.072 Uiso 1 1 calc R U . . .
H7B H 0.5874 0.3002 0.3311 0.072 Uiso 1 1 calc R U . . .
H7C H 0.5133 0.3936 0.3117 0.072 Uiso 1 1 calc R U . . .
C8 C 0.9397(13) 0.6321(10) 0.8285(7) 0.069(3) Uani 1 1 d . . . . .
H8 H 1.0536 0.6494 0.8425 0.082 Uiso 1 1 calc R U . . .
C9 C 0.9328(17) 0.7556(11) 0.8521(11) 0.113(6) Uani 1 1 d . . . . .
H9A H 1.0025 0.8044 0.9290 0.169 Uiso 1 1 calc R U . . .
H9B H 0.8212 0.7416 0.8354 0.169 Uiso 1 1 calc R U . . .
H9C H 0.9703 0.7986 0.8069 0.169 Uiso 1 1 calc R U . . .
C10 C 0.898(2) 0.5669(15) 0.9061(9) 0.125(6) Uani 1 1 d . . . . .
H10A H 0.9715 0.6196 0.9815 0.187 Uiso 1 1 calc R U . . .
H10B H 0.9101 0.4920 0.8924 0.187 Uiso 1 1 calc R U . . .
H10C H 0.7863 0.5475 0.8936 0.187 Uiso 1 1 calc R U . . .
C11 C 0.7300(8) 0.2430(6) 0.6757(5) 0.0256(13) Uani 1 1 d . . . . .
C12 C 1.0138(8) 0.3078(6) 0.7771(5) 0.0277(13) Uani 1 1 d . . . . .
C13 C 1.0229(8) 0.3967(6) 0.7251(5) 0.0260(13) Uani 1 1 d . . . . .
C14 C 1.1827(8) 0.4845(7) 0.7546(6) 0.0338(15) Uani 1 1 d . . . . .
H14 H 1.1974 0.5464 0.7231 0.041 Uiso 1 1 calc R U . . .
C15 C 1.3204(9) 0.4819(7) 0.8297(6) 0.0404(17) Uani 1 1 d . . . . .
H15 H 1.4252 0.5426 0.8486 0.048 Uiso 1 1 calc R U . . .
C16 C 1.3037(9) 0.3902(7) 0.8769(6) 0.0418(18) Uani 1 1 d . . . . .
H16 H 1.3970 0.3884 0.9258 0.050 Uiso 1 1 calc R U . . .
C17 C 1.1478(9) 0.3012(7) 0.8509(6) 0.0356(15) Uani 1 1 d . . . . .
H17 H 1.1338 0.2392 0.8822 0.043 Uiso 1 1 calc R U . . .
C18 C 0.6326(8) 0.0912(6) 0.7383(5) 0.0281(13) Uani 1 1 d . . . . .
C19 C 0.5447(9) -0.0536(6) 0.8346(6) 0.0342(15) Uani 1 1 d . . . . .
C20 C 0.6989(10) -0.0379(7) 0.9027(7) 0.0450(19) Uani 1 1 d . . . . .
H20 H 0.7907 0.0063 0.8925 0.054 Uiso 1 1 calc R U . . .
C21 C 0.7162(12) -0.0886(9) 0.9868(8) 0.059(2) Uani 1 1 d . . . . .
H21 H 0.8203 -0.0768 1.0338 0.071 Uiso 1 1 calc R U . . .
C22 C 0.5811(13) -0.1558(9) 1.0009(8) 0.062(3) Uani 1 1 d . . . . .
H22 H 0.5935 -0.1892 1.0576 0.074 Uiso 1 1 calc R U . . .
C23 C 0.4282(12) -0.1737(8) 0.9316(8) 0.059(2) Uani 1 1 d . . . . .
H23 H 0.3364 -0.2201 0.9409 0.071 Uiso 1 1 calc R U . . .
C24 C 0.4084(10) -0.1236(7) 0.8479(7) 0.0453(19) Uani 1 1 d . . . . .
H24 H 0.3036 -0.1369 0.8005 0.054 Uiso 1 1 calc R U . . .
C25 C 0.4244(8) 0.1384(6) 0.6030(5) 0.0276(13) Uani 1 1 d . . . . .
C26 C 0.3557(9) 0.0856(7) 0.4907(6) 0.0394(17) Uani 1 1 d . . . . .
H26 H 0.4098 0.0543 0.4569 0.047 Uiso 1 1 calc R U . . .
C27 C 0.2035(10) 0.0791(8) 0.4272(7) 0.052(2) Uani 1 1 d . . . . .
H27 H 0.1547 0.0424 0.3504 0.063 Uiso 1 1 calc R U . . .
C28 C 0.1251(10) 0.1265(8) 0.4771(8) 0.054(2) Uani 1 1 d . . . . .
H28 H 0.0243 0.1234 0.4341 0.065 Uiso 1 1 calc R U . . .
C29 C 0.1947(11) 0.1784(9) 0.5898(8) 0.057(2) Uani 1 1 d . . . . .
H29 H 0.1407 0.2099 0.6234 0.069 Uiso 1 1 calc R U . . .
C30 C 0.3453(10) 0.1845(8) 0.6545(7) 0.0451(19) Uani 1 1 d . . . . .
H30 H 0.3924 0.2191 0.7314 0.054 Uiso 1 1 calc R U . . .
Cl1 Cl 0.8140(2) 0.23180(16) 0.47609(14) 0.0359(4) Uani 1 1 d . . . . .
N1 N 0.8478(7) 0.2261(5) 0.7474(5) 0.0287(12) Uani 1 1 d . . . . .
N2 N 0.7934(7) 0.1328(5) 0.7882(5) 0.0314(12) Uani 1 1 d . . . . .
N3 N 0.5881(6) 0.1547(5) 0.6687(4) 0.0270(11) Uani 1 1 d . . . . .
N4 N 0.5172(7) -0.0017(6) 0.7494(5) 0.0405(15) Uani 1 1 d . . . . .
H4 H 0.4171 -0.0321 0.6996 0.049 Uiso 1 1 calc R U . . .
Ru1 Ru 0.79790(6) 0.37763(5) 0.61325(4) 0.02245(14) Uani 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'
Cl Cl 0.1484 0.1585 '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'
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 C1 C2 117.3(7) . . ?
C6 C1 C8 123.3(8) . . ?
C2 C1 C8 119.3(8) . . ?
C6 C1 Ru1 70.1(4) . . ?
C2 C1 Ru1 74.0(4) . . ?
C8 C1 Ru1 129.4(5) . . ?
C3 C2 C1 120.9(7) . . ?
C3 C2 Ru1 73.1(4) . . ?
C1 C2 Ru1 68.5(4) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
Ru1 C2 H2 131.7 . . ?
C2 C3 C4 121.1(7) . . ?
C2 C3 Ru1 71.1(4) . . ?
C4 C3 Ru1 72.5(4) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
Ru1 C3 H3 129.5 . . ?
C5 C4 C3 118.2(7) . . ?
C5 C4 C7 121.4(7) . . ?
C3 C4 C7 120.4(7) . . ?
C5 C4 Ru1 71.7(4) . . ?
C3 C4 Ru1 70.7(4) . . ?
C7 C4 Ru1 128.1(5) . . ?
C4 C5 C6 120.3(7) . . ?
C4 C5 Ru1 73.1(4) . . ?
C6 C5 Ru1 66.5(4) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
Ru1 C5 H5 133.8 . . ?
C1 C6 C5 121.8(7) . . ?
C1 C6 Ru1 71.9(4) . . ?
C5 C6 Ru1 76.2(4) . . ?
C1 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
Ru1 C6 H6 124.4 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C10 C8 C1 113.4(10) . . ?
C10 C8 C9 111.3(10) . . ?
C1 C8 C9 109.6(8) . . ?
C10 C8 H8 107.4 . . ?
C1 C8 H8 107.4 . . ?
C9 C8 H8 107.4 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 N3 102.8(5) . . ?
N1 C11 Ru1 118.3(5) . . ?
N3 C11 Ru1 138.9(5) . . ?
C17 C12 C13 125.1(6) . . ?
C17 C12 N1 123.4(6) . . ?
C13 C12 N1 111.4(5) . . ?
C14 C13 C12 114.8(6) . . ?
C14 C13 Ru1 129.3(5) . . ?
C12 C13 Ru1 115.9(5) . . ?
C15 C14 C13 121.6(6) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C16 C15 C14 120.9(7) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 119.8(7) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C12 C17 C16 117.7(7) . . ?
C12 C17 H17 121.2 . . ?
C16 C17 H17 121.2 . . ?
N2 C18 N4 127.0(6) . . ?
N2 C18 N3 111.6(6) . . ?
N4 C18 N3 121.3(6) . . ?
C20 C19 C24 119.7(7) . . ?
C20 C19 N4 123.1(7) . . ?
C24 C19 N4 117.2(7) . . ?
C19 C20 C21 119.5(8) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C22 C21 C20 120.5(9) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 119.8(8) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.6(8) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 119.8(8) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
C26 C25 C30 121.2(6) . . ?
C26 C25 N3 119.3(6) . . ?
C30 C25 N3 119.3(6) . . ?
C25 C26 C27 119.0(7) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C28 C27 C26 120.4(8) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.0(8) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.4(8) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 118.9(8) . . ?
C25 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C11 N1 N2 115.6(5) . . ?
C11 N1 C12 117.4(5) . . ?
N2 N1 C12 127.0(5) . . ?
C18 N2 N1 102.1(5) . . ?
C11 N3 C18 107.9(5) . . ?
C11 N3 C25 124.1(5) . . ?
C18 N3 C25 127.9(5) . . ?
C18 N4 C19 126.6(6) . . ?
C18 N4 H4 116.7 . . ?
C19 N4 H4 116.7 . . ?
C11 Ru1 C13 76.9(3) . . ?
C11 Ru1 C6 93.9(3) . . ?
C13 Ru1 C6 121.2(3) . . ?
C11 Ru1 C1 114.8(3) . . ?
C13 Ru1 C1 93.8(3) . . ?
C6 Ru1 C1 38.0(3) . . ?
C11 Ru1 C2 151.3(3) . . ?
C13 Ru1 C2 94.8(3) . . ?
C6 Ru1 C2 66.6(3) . . ?
C1 Ru1 C2 37.5(3) . . ?
C11 Ru1 C3 164.0(3) . . ?
C13 Ru1 C3 119.2(3) . . ?
C6 Ru1 C3 77.9(3) . . ?
C1 Ru1 C3 66.6(3) . . ?
C2 Ru1 C3 35.8(3) . . ?
C11 Ru1 C5 100.9(3) . . ?
C13 Ru1 C5 158.5(3) . . ?
C6 Ru1 C5 37.3(3) . . ?
C1 Ru1 C5 67.4(3) . . ?
C2 Ru1 C5 76.8(3) . . ?
C3 Ru1 C5 64.3(3) . . ?
C11 Ru1 C4 127.3(3) . . ?
C13 Ru1 C4 155.6(3) . . ?
C6 Ru1 C4 66.2(3) . . ?
C1 Ru1 C4 79.6(3) . . ?
C2 Ru1 C4 65.7(3) . . ?
C3 Ru1 C4 36.7(3) . . ?
C5 Ru1 C4 35.2(3) . . ?
C11 Ru1 Cl1 87.33(18) . . ?
C13 Ru1 Cl1 86.90(17) . . ?
C6 Ru1 Cl1 151.5(2) . . ?
C1 Ru1 Cl1 157.4(2) . . ?
C2 Ru1 Cl1 120.0(2) . . ?
C3 Ru1 Cl1 93.4(2) . . ?
C5 Ru1 Cl1 114.48(19) . . ?
C4 Ru1 Cl1 90.48(19) . . ?
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
C1 C6 1.408(11) . ?
C1 C2 1.421(11) . ?
C1 C8 1.518(11) . ?
C1 Ru1 2.173(7) . ?
C2 C3 1.388(11) . ?
C2 Ru1 2.245(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.440(10) . ?
C3 Ru1 2.272(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.381(10) . ?
C4 C7 1.499(10) . ?
C4 Ru1 2.296(6) . ?
C5 C6 1.422(10) . ?
C5 Ru1 2.278(6) . ?
C5 H5 0.9300 . ?
C6 Ru1 2.151(6) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C10 1.511(18) . ?
C8 C9 1.524(14) . ?
C8 H8 0.9800 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 N1 1.331(8) . ?
C11 N3 1.372(8) . ?
C11 Ru1 2.003(6) . ?
C12 C17 1.380(9) . ?
C12 C13 1.400(9) . ?
C12 N1 1.417(8) . ?
C13 C14 1.395(9) . ?
C13 Ru1 2.085(6) . ?
C14 C15 1.388(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.383(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.385(10) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 N2 1.312(8) . ?
C18 N4 1.357(8) . ?
C18 N3 1.385(8) . ?
C19 C20 1.379(11) . ?
C19 C24 1.382(10) . ?
C19 N4 1.415(9) . ?
C20 C21 1.389(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.369(13) . ?
C21 H21 0.9300 . ?
C22 C23 1.364(14) . ?
C22 H22 0.9300 . ?
C23 C24 1.381(12) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.361(10) . ?
C25 C30 1.380(9) . ?
C25 N3 1.443(8) . ?
C26 C27 1.391(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.370(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.364(13) . ?
C28 H28 0.9300 . ?
C29 C30 1.384(11) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
Cl1 Ru1 2.4277(17) . ?
N1 N2 1.380(7) . ?
N4 H4 0.8600 . ?
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 C1 C2 C3 -3.7(10) . . . . ?
C8 C1 C2 C3 179.9(7) . . . . ?
Ru1 C1 C2 C3 53.2(6) . . . . ?
C6 C1 C2 Ru1 -56.9(5) . . . . ?
C8 C1 C2 Ru1 126.6(7) . . . . ?
C1 C2 C3 C4 3.6(10) . . . . ?
Ru1 C2 C3 C4 54.7(6) . . . . ?
C1 C2 C3 Ru1 -51.1(6) . . . . ?
C2 C3 C4 C5 1.6(10) . . . . ?
Ru1 C3 C4 C5 55.7(5) . . . . ?
C2 C3 C4 C7 -177.6(7) . . . . ?
Ru1 C3 C4 C7 -123.6(6) . . . . ?
C2 C3 C4 Ru1 -54.0(6) . . . . ?
C3 C4 C5 C6 -6.5(9) . . . . ?
C7 C4 C5 C6 172.7(6) . . . . ?
Ru1 C4 C5 C6 48.7(6) . . . . ?
C3 C4 C5 Ru1 -55.2(5) . . . . ?
C7 C4 C5 Ru1 124.0(6) . . . . ?
C2 C1 C6 C5 -1.2(10) . . . . ?
C8 C1 C6 C5 175.1(7) . . . . ?
Ru1 C1 C6 C5 -60.1(6) . . . . ?
C2 C1 C6 Ru1 58.9(6) . . . . ?
C8 C1 C6 Ru1 -124.8(7) . . . . ?
C4 C5 C6 C1 6.4(10) . . . . ?
Ru1 C5 C6 C1 58.0(6) . . . . ?
C4 C5 C6 Ru1 -51.6(6) . . . . ?
C6 C1 C8 C10 30.4(12) . . . . ?
C2 C1 C8 C10 -153.4(9) . . . . ?
Ru1 C1 C8 C10 -60.4(12) . . . . ?
C6 C1 C8 C9 -94.7(12) . . . . ?
C2 C1 C8 C9 81.5(11) . . . . ?
Ru1 C1 C8 C9 174.5(9) . . . . ?
C17 C12 C13 C14 -1.1(10) . . . . ?
N1 C12 C13 C14 176.9(6) . . . . ?
C17 C12 C13 Ru1 177.8(5) . . . . ?
N1 C12 C13 Ru1 -4.2(7) . . . . ?
C12 C13 C14 C15 0.1(10) . . . . ?
Ru1 C13 C14 C15 -178.6(5) . . . . ?
C13 C14 C15 C16 1.1(12) . . . . ?
C14 C15 C16 C17 -1.4(12) . . . . ?
C13 C12 C17 C16 0.8(11) . . . . ?
N1 C12 C17 C16 -177.0(6) . . . . ?
C15 C16 C17 C12 0.5(11) . . . . ?
C24 C19 C20 C21 -2.6(12) . . . . ?
N4 C19 C20 C21 177.9(8) . . . . ?
C19 C20 C21 C22 1.3(14) . . . . ?
C20 C21 C22 C23 0.3(16) . . . . ?
C21 C22 C23 C24 -0.7(15) . . . . ?
C22 C23 C24 C19 -0.6(14) . . . . ?
C20 C19 C24 C23 2.2(12) . . . . ?
N4 C19 C24 C23 -178.2(8) . . . . ?
C30 C25 C26 C27 0.5(12) . . . . ?
N3 C25 C26 C27 -175.0(7) . . . . ?
C25 C26 C27 C28 0.7(13) . . . . ?
C26 C27 C28 C29 -1.2(14) . . . . ?
C27 C28 C29 C30 0.5(15) . . . . ?
C26 C25 C30 C29 -1.2(12) . . . . ?
N3 C25 C30 C29 174.3(7) . . . . ?
C28 C29 C30 C25 0.7(14) . . . . ?
N3 C11 N1 N2 0.0(7) . . . . ?
Ru1 C11 N1 N2 179.5(4) . . . . ?
N3 C11 N1 C12 -177.5(5) . . . . ?
Ru1 C11 N1 C12 2.0(8) . . . . ?
C17 C12 N1 C11 179.6(6) . . . . ?
C13 C12 N1 C11 1.5(8) . . . . ?
C17 C12 N1 N2 2.4(10) . . . . ?
C13 C12 N1 N2 -175.7(6) . . . . ?
N4 C18 N2 N1 -179.4(7) . . . . ?
N3 C18 N2 N1 0.5(7) . . . . ?
C11 N1 N2 C18 -0.3(7) . . . . ?
C12 N1 N2 C18 176.9(6) . . . . ?
N1 C11 N3 C18 0.3(7) . . . . ?
Ru1 C11 N3 C18 -179.0(6) . . . . ?
N1 C11 N3 C25 177.7(6) . . . . ?
Ru1 C11 N3 C25 -1.6(10) . . . . ?
N2 C18 N3 C11 -0.6(7) . . . . ?
N4 C18 N3 C11 179.4(6) . . . . ?
N2 C18 N3 C25 -177.8(6) . . . . ?
N4 C18 N3 C25 2.1(10) . . . . ?
C26 C25 N3 C11 74.6(9) . . . . ?
C30 C25 N3 C11 -100.9(8) . . . . ?
C26 C25 N3 C18 -108.5(8) . . . . ?
C30 C25 N3 C18 75.9(9) . . . . ?
N2 C18 N4 C19 15.9(12) . . . . ?
N3 C18 N4 C19 -164.1(7) . . . . ?
C20 C19 N4 C18 -17.0(12) . . . . ?
C24 C19 N4 C18 163.5(7) . . . . ?
