#------------------------------------------------------------------------------
#$Date: 2020-05-05 15:49:24 +0300 (Tue, 05 May 2020) $
#$Revision: 251585 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/63/7126318.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_7126318
loop_
_publ_author_name
'Geringer, Eugenie'
'Leusmann, Eliza'
'Tambornino, Frank'
'Gerhard, Marina'
'Koch, Martin'
'Dehnen, Stefanie'
_publ_section_title
;
 Trapping of ZnCl₂ by bipyridyl-functionalized organotin
 sulfide clusters, and its effect on optical properties.
;
_journal_issue                   35
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4769
_journal_page_last               4772
_journal_paper_doi               10.1039/d0cc01887b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         '2(C14 H18 Cl2 N4 O Ru S), C7 H8'
_chemical_formula_sum            'C35 H44 Cl4 N8 O2 Ru2 S2'
_chemical_formula_weight         1016.84
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2019-12-13
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-03-11 deposited with the CCDC.	2020-03-30 downloaded from the CCDC.
;
_cell_angle_alpha                104.143(9)
_cell_angle_beta                 101.316(10)
_cell_angle_gamma                100.545(9)
_cell_formula_units_Z            1
_cell_length_a                   8.2648(10)
_cell_length_b                   10.0946(9)
_cell_length_c                   12.9476(16)
_cell_measurement_reflns_used    13801
_cell_measurement_temperature    150.15
_cell_measurement_theta_max      26.23
_cell_measurement_theta_min      1.68
_cell_volume                     996.4(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.15
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_Laue_measured_fraction_full 0.939
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7900
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         25.611
_diffrn_reflns_theta_min         2.307
_diffrn_source                   'Bruker rotating anode'
_diffrn_source_current           120
_diffrn_source_power             6.000
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    1.175
_exptl_absorpt_correction_T_max  0.9339
_exptl_absorpt_correction_T_min  0.8133
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_description       block
_exptl_crystal_F_000             514
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.127
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3682
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0295
_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)+(0.0490P)²+0.4445P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0785
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3234
_reflns_number_total             3682
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc01887b2.cif
_cod_data_source_block           eld-156
_cod_depositor_comments
'Adding full bibliography for 7126312--7126319.cif.'
_cod_database_code               7126318
_shelxl_version_number           2013-4
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C16(0.5) C17(0.5) H17(0.5) C18(0.5) H18(0.5) C19(0.5) H19(0.5)
 C20(0.5) H20(0.5) C21(0.5) H21(0.5) C15(0.5) H15A(0.5) H15B(0.5) H15C(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C17(H17), C18(H18),
 C19(H19), C20(H20), C21(H21)
3.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Ru1 Ru 0.23844(2) 0.58109(2) 0.77636(2) 0.02159(9) Uani 1 1 d . . . . .
Cl1 Cl 0.29849(9) 0.55430(8) 0.60078(6) 0.03256(17) Uani 1 1 d . . . . .
Cl2 Cl 0.18102(8) 0.61436(7) 0.95397(5) 0.02700(15) Uani 1 1 d . . . . .
S1 S 0.09812(8) 0.35162(7) 0.72877(6) 0.02591(16) Uani 1 1 d . . . . .
O1 O 0.1969(3) 0.2547(2) 0.76720(18) 0.0354(5) Uani 1 1 d . . . . .
N1 N 0.0486(3) 0.6823(2) 0.72851(18) 0.0251(5) Uani 1 1 d . . . . .
N2 N 0.3714(3) 0.7790(2) 0.82263(18) 0.0244(5) Uani 1 1 d . . . . .
N3 N 0.4800(3) 0.5661(2) 0.84574(19) 0.0268(5) Uani 1 1 d . . . . .
N4 N 0.5239(3) 0.4445(3) 0.8549(2) 0.0334(6) Uani 1 1 d . . . . .
H4A H 0.601(4) 0.451(4) 0.915(3) 0.032(8) Uiso 1 1 d . . . . .
H4B H 0.431(5) 0.376(5) 0.841(3) 0.049(11) Uiso 1 1 d . . . . .
C1 C -0.1174(3) 0.6277(3) 0.6794(2) 0.0294(6) Uani 1 1 d . . . . .
H1 H -0.1595 0.5284 0.6589 0.035 Uiso 1 1 calc R . . . .
C2 C -0.2305(4) 0.7088(3) 0.6570(2) 0.0343(7) Uani 1 1 d . . . . .
H2 H -0.3475 0.6659 0.6231 0.041 Uiso 1 1 calc R . . . .
C3 C -0.1708(4) 0.8514(3) 0.6845(3) 0.0362(7) Uani 1 1 d . . . . .
H3 H -0.2460 0.9095 0.6707 0.043 Uiso 1 1 calc R . . . .
C4 C 0.0009(4) 0.9105(3) 0.7329(3) 0.0333(6) Uani 1 1 d . . . . .
H4 H 0.0447 1.0093 0.7509 0.040 Uiso 1 1 calc R . . . .
C5 C 0.1084(3) 0.8247(3) 0.7548(2) 0.0270(6) Uani 1 1 d . . . . .
C6 C 0.2921(3) 0.8792(3) 0.8064(2) 0.0265(6) Uani 1 1 d . . . . .
C7 C 0.3827(4) 1.0188(3) 0.8367(2) 0.0324(6) Uani 1 1 d . . . . .
H7 H 0.3271 1.0907 0.8260 0.039 Uiso 1 1 calc R . . . .
C8 C 0.5573(4) 1.0506(3) 0.8831(3) 0.0345(6) Uani 1 1 d . . . . .
H8 H 0.6224 1.1451 0.9032 0.041 Uiso 1 1 calc R . . . .
C9 C 0.6360(4) 0.9454(3) 0.9000(2) 0.0318(6) Uani 1 1 d . . . . .
H9 H 0.7548 0.9672 0.9322 0.038 Uiso 1 1 calc R . . . .
C10 C 0.5398(3) 0.8073(3) 0.8695(2) 0.0269(6) Uani 1 1 d . . . . .
C11 C 0.5980(3) 0.6844(3) 0.8839(2) 0.0279(6) Uani 1 1 d . . . . .
C12 C 0.7780(4) 0.6944(3) 0.9399(3) 0.0348(7) Uani 1 1 d . . . . .
H12A H 0.7848 0.6901 1.0154 0.052 Uiso 1 1 calc GR . . . .
H12B H 0.8504 0.7837 0.9415 0.052 Uiso 1 1 calc GR . . . .
H12C H 0.8168 0.6159 0.8996 0.052 Uiso 1 1 calc GR . . . .
C13 C -0.0909(4) 0.3187(3) 0.7752(3) 0.0353(7) Uani 1 1 d . . . . .
H13A H -0.0623 0.3522 0.8557 0.053 Uiso 1 1 calc GR . . . .
H13B H -0.1433 0.2173 0.7505 0.053 Uiso 1 1 calc GR . . . .
H13C H -0.1708 0.3685 0.7447 0.053 Uiso 1 1 calc GR . . . .
C14 C 0.0120(4) 0.2723(3) 0.5842(3) 0.0370(7) Uani 1 1 d . . . . .
H14A H -0.0643 0.3258 0.5554 0.055 Uiso 1 1 calc GR . . . .
H14B H -0.0518 0.1751 0.5707 0.055 Uiso 1 1 calc GR . . . .
H14C H 0.1047 0.2723 0.5472 0.055 Uiso 1 1 calc GR . . . .
C16 C -0.5063(9) -0.1026(9) 0.4712(6) 0.0453(16) Uiso 0.5 1 d . . P A -1
C17 C -0.4237(11) -0.0018(13) 0.4311(8) 0.0495(19) Uiso 0.5 1 d . . P A -1
H17 H -0.3655 -0.0290 0.3761 0.059 Uiso 0.5 1 calc R . P A -1
C18 C -0.4252(12) 0.1339(13) 0.4693(8) 0.063(2) Uiso 0.5 1 d . . P A -1
H18 H -0.3682 0.2016 0.4405 0.076 Uiso 0.5 1 calc R . P A -1
C19 C -0.5045(12) 0.1752(13) 0.5463(8) 0.065(2) Uiso 0.5 1 d . . P A -1
H19 H -0.5037 0.2720 0.5723 0.078 Uiso 0.5 1 calc R . P A -1
C20 C -0.5906(10) 0.0762(10) 0.5900(7) 0.0531(19) Uiso 0.5 1 d . . P A -1
H20 H -0.6476 0.1042 0.6456 0.064 Uiso 0.5 1 calc R . P A -1
C21 C -0.5883(8) -0.0645(10) 0.5482(5) 0.0298(13) Uiso 0.5 1 d . . P A -1
H21 H -0.6460 -0.1340 0.5751 0.036 Uiso 0.5 1 calc R . P A -1
C15 C -0.5015(11) -0.2557(10) 0.4261(8) 0.058(2) Uiso 0.5 1 d . . P A -1
H15A H -0.5301 -0.2822 0.3455 0.087 Uiso 0.5 1 calc GR . P A -1
H15B H -0.5842 -0.3163 0.4501 0.087 Uiso 0.5 1 calc GR . P A -1
H15C H -0.3872 -0.2670 0.4537 0.087 Uiso 0.5 1 calc GR . P A -1
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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 -1 0.0090
0 0 1 0.0580
-2 0 1 0.1070
2 0 -1 0.1750
2 -2 -1 0.0750
0 -1 0 0.0800
-1 3 1 0.0580
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
Cl1 Ru1 Cl2 178.53(3) . . ?
S1 Ru1 Cl1 91.91(3) . . ?
S1 Ru1 Cl2 89.54(3) . . ?
N1 Ru1 Cl1 89.20(6) . . ?
N1 Ru1 Cl2 90.28(6) . . ?
N1 Ru1 S1 103.88(7) . . ?
N2 Ru1 Cl1 88.81(7) . . ?
N2 Ru1 Cl2 89.74(7) . . ?
N2 Ru1 S1 176.92(7) . . ?
N2 Ru1 N1 79.12(9) . . ?
N2 Ru1 N3 77.50(9) . . ?
N3 Ru1 Cl1 91.39(7) . . ?
N3 Ru1 Cl2 88.54(7) . . ?
N3 Ru1 S1 99.49(7) . . ?
N3 Ru1 N1 156.59(10) . . ?
O1 S1 Ru1 116.21(9) . . ?
O1 S1 C13 103.86(14) . . ?
O1 S1 C14 105.57(15) . . ?
C13 S1 Ru1 115.13(11) . . ?
C13 S1 C14 99.79(16) . . ?
C14 S1 Ru1 114.41(11) . . ?
C1 N1 Ru1 129.6(2) . . ?
C1 N1 C5 117.8(2) . . ?
C5 N1 Ru1 112.59(18) . . ?
C6 N2 Ru1 119.11(18) . . ?
C6 N2 C10 122.6(2) . . ?
C10 N2 Ru1 118.28(19) . . ?
N4 N3 Ru1 125.36(19) . . ?
C11 N3 Ru1 116.08(19) . . ?
C11 N3 N4 118.6(2) . . ?
N3 N4 H4A 117(2) . . ?
N3 N4 H4B 110(3) . . ?
H4A N4 H4B 114(3) . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.3(3) . . ?
C2 C1 H1 118.3 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 C1 118.8(3) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.1(3) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 121.1(3) . . ?
N1 C5 C6 115.7(2) . . ?
C4 C5 C6 123.1(3) . . ?
N2 C6 C5 113.4(2) . . ?
N2 C6 C7 120.4(3) . . ?
C7 C6 C5 126.3(3) . . ?
C6 C7 H7 120.9 . . ?
C6 C7 C8 118.3(3) . . ?
C8 C7 H7 120.9 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 120.3 . . ?
C8 C9 C10 119.5(3) . . ?
C10 C9 H9 120.3 . . ?
N2 C10 C9 119.0(3) . . ?
N2 C10 C11 113.5(2) . . ?
C9 C10 C11 127.4(3) . . ?
N3 C11 C10 114.6(2) . . ?
N3 C11 C12 123.5(3) . . ?
C10 C11 C12 122.0(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
S1 C13 H13A 109.5 . . ?
S1 C13 H13B 109.5 . . ?
S1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S1 C14 H14A 109.5 . . ?
S1 C14 H14B 109.5 . . ?
S1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C16 C15 119.1(8) . . ?
C21 C16 C17 119.7(8) . . ?
C21 C16 C15 121.2(8) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.6(9) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.4 . . ?
C19 C18 C17 121.2(10) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.4(12) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 121.3 . . ?
C21 C20 C19 117.3(9) . . ?
C21 C20 H20 121.3 . . ?
C16 C21 C20 120.9(8) . . ?
C16 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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 Cl1 2.3831(7) . ?
Ru1 Cl2 2.3949(7) . ?
Ru1 S1 2.2647(7) . ?
Ru1 N1 2.098(2) . ?
Ru1 N2 1.977(2) . ?
Ru1 N3 2.071(2) . ?
S1 O1 1.497(2) . ?
S1 C13 1.785(3) . ?
S1 C14 1.785(3) . ?
N1 C1 1.342(4) . ?
N1 C5 1.365(4) . ?
N2 C6 1.339(4) . ?
N2 C10 1.350(4) . ?
N3 N4 1.368(3) . ?
N3 C11 1.310(4) . ?
N4 H4A 0.88(4) . ?
N4 H4B 0.89(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.385(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.365(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.386(4) . ?
C5 C6 1.473(4) . ?
C6 C7 1.388(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.394(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.382(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(4) . ?
C10 C11 1.450(4) . ?
C11 C12 1.495(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 C17 1.383(12) . ?
C16 C21 1.333(11) . ?
C16 C15 1.523(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.341(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.323(15) . ?
C19 H19 0.9500 . ?
C19 C20 1.415(13) . ?
C20 H20 0.9500 . ?
C20 C21 1.395(11) . ?
C21 H21 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
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 N1 C1 C2 176.9(2) . . . . ?
Ru1 N1 C5 C4 -178.0(2) . . . . ?
Ru1 N1 C5 C6 2.4(3) . . . . ?
Ru1 N2 C6 C5 0.5(3) . . . . ?
Ru1 N2 C6 C7 -179.1(2) . . . . ?
Ru1 N2 C10 C9 178.4(2) . . . . ?
Ru1 N2 C10 C11 -2.8(3) . . . . ?
Ru1 N3 C11 C10 -1.0(3) . . . . ?
Ru1 N3 C11 C12 178.0(2) . . . . ?
N1 C1 C2 C3 1.0(5) . . . . ?
N1 C5 C6 N2 -1.9(4) . . . . ?
N1 C5 C6 C7 177.6(3) . . . . ?
N2 C6 C7 C8 0.6(4) . . . . ?
N2 C10 C11 N3 2.4(4) . . . . ?
N2 C10 C11 C12 -176.6(2) . . . . ?
N4 N3 C11 C10 179.4(2) . . . . ?
N4 N3 C11 C12 -1.7(4) . . . . ?
C1 N1 C5 C4 0.9(4) . . . . ?
C1 N1 C5 C6 -178.7(2) . . . . ?
C1 C2 C3 C4 0.7(5) . . . . ?
C2 C3 C4 C5 -1.5(5) . . . . ?
C3 C4 C5 N1 0.7(4) . . . . ?
C3 C4 C5 C6 -179.7(3) . . . . ?
C4 C5 C6 N2 178.4(3) . . . . ?
C4 C5 C6 C7 -2.0(5) . . . . ?
C5 N1 C1 C2 -1.8(4) . . . . ?
C5 C6 C7 C8 -179.0(3) . . . . ?
C6 N2 C10 C9 -1.5(4) . . . . ?
C6 N2 C10 C11 177.3(2) . . . . ?
C6 C7 C8 C9 -1.2(4) . . . . ?
C7 C8 C9 C10 0.5(5) . . . . ?
C8 C9 C10 N2 0.8(4) . . . . ?
C8 C9 C10 C11 -177.8(3) . . . . ?
C9 C10 C11 N3 -178.9(3) . . . . ?
C9 C10 C11 C12 2.1(5) . . . . ?
C10 N2 C6 C5 -179.6(2) . . . . ?
C10 N2 C6 C7 0.8(4) . . . . ?
C16 C17 C18 C19 0.3(14) . . . . ?
C17 C16 C21 C20 -0.7(11) . . . . ?
C17 C18 C19 C20 -0.2(15) . . . . ?
C18 C19 C20 C21 -0.3(13) . . . . ?
C19 C20 C21 C16 0.8(11) . . . . ?
C21 C16 C17 C18 0.1(13) . . . . ?
C15 C16 C17 C18 -179.8(8) . . . . ?
C15 C16 C21 C20 179.3(7) . . . . ?
