#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/71/4307133.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_4307133
loop_
_publ_author_name
'Hirotaka Nagao'
'Keiji Enomoto'
'Yuuki Wakabayashi'
'Gen Komiya'
'Toshiyuki Hirano'
'Takao Oi'
_publ_section_title
;
Synthesis of Nitrosylruthenium Complexes Containing
2,2':6',2''-Terpyridine by Reactions of Alkoxo Complexes with
Acids
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1431
_journal_page_last               1439
_journal_paper_doi               10.1021/ic061644w
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C17 H14 Cl F12 N5 O P2 Ru '
_chemical_formula_sum            'C17 H14 Cl F12 N5 O P2 Ru'
_chemical_formula_weight         730.78
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.0075(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.439(3)
_cell_length_b                   12.048(3)
_cell_length_c                   17.201(4)
_cell_measurement_reflns_used    5685
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     2577.4(11)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19522
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_T_max  0.954
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1432.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.83
_refine_diff_density_min         -0.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     366
_refine_ls_number_reflns         5832
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.0035
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0033Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1735
_reflns_number_gt                4189
_reflns_number_total             5832
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic061644wsi20060830_091158_4.cif
_cod_data_source_block
'__of_trans(NO,_Cl),_cis(CH3CN,_Cl)-[RuCl(NO)(CH3CN)(terpy)](PF6)2'
_cod_original_cell_volume        2577.3(10)
_cod_original_formula_sum        'C17 H14 Cl F12 N5 O P2 Ru '
_cod_database_code               4307133
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru(1) Ru 0.30223(3) 0.18334(3) 0.13961(2) 0.04344(11) Uani 1.00 1 d . . .
Cl(1) Cl 0.25542(11) 0.21961(11) 0.26702(6) 0.0631(3) Uani 1.00 1 d . . .
P(1) P 0.32518(12) -0.18121(11) -0.01088(9) 0.0630(3) Uani 1.00 1 d . . .
P(2) P 0.19612(12) 0.32015(12) -0.14071(10) 0.0748(5) Uani 1.00 1 d . . .
F(1) F 0.4039(4) -0.2834(3) -0.0043(2) 0.1261(17) Uani 1.00 1 d . . .
F(2) F 0.4122(3) -0.1212(3) -0.0611(2) 0.1173(16) Uani 1.00 1 d . . .
F(3) F 0.2728(3) -0.2316(4) -0.0868(2) 0.1164(16) Uani 1.00 1 d . . .
F(4) F 0.2477(2) -0.0769(2) -0.0173(2) 0.0968(13) Uani 1.00 1 d . . .
F(5) F 0.2354(3) -0.2431(3) 0.0366(3) 0.1298(18) Uani 1.00 1 d . . .
F(6) F 0.3739(3) -0.1304(5) 0.0652(2) 0.1393(19) Uani 1.00 1 d . . .
F(7) F 0.1385(6) 0.2753(8) -0.0702(3) 0.220(3) Uani 1.00 1 d . . .
F(8) F 0.1899(4) 0.4427(5) -0.1129(4) 0.177(2) Uani 1.00 1 d . . .
F(9) F 0.0839(5) 0.3309(5) -0.1797(5) 0.195(3) Uani 1.00 1 d . . .
F(10) F 0.2553(7) 0.3689(7) -0.2129(4) 0.221(3) Uani 1.00 1 d . . .
F(11) F 0.2018(5) 0.2015(4) -0.1763(6) 0.199(3) Uani 1.00 1 d . . .
F(12) F 0.3063(4) 0.3118(5) -0.1002(5) 0.224(3) Uani 1.00 1 d . . .
O(1) O 0.3718(3) 0.1295(3) -0.0152(2) 0.0749(12) Uani 1.00 1 d . . .
N(1) N 0.3420(2) 0.1526(2) 0.0431(2) 0.0508(10) Uani 1.00 1 d . . .
N(2) N 0.4110(3) 0.0652(3) 0.1809(2) 0.0554(10) Uani 1.00 1 d . . .
N(3) N 0.1632(2) 0.0870(2) 0.1317(2) 0.0494(9) Uani 1.00 1 d . . .
N(4) N 0.1954(3) 0.2993(2) 0.1110(2) 0.0520(10) Uani 1.00 1 d . . .
N(5) N 0.3992(3) 0.3244(2) 0.1466(2) 0.0528(10) Uani 1.00 1 d . . .
C(1) C 0.4759(4) 0.0045(4) 0.1933(2) 0.0627(14) Uani 1.00 1 d . . .
C(2) C 0.5601(6) -0.0778(6) 0.2077(4) 0.106(2) Uani 1.00 1 d . . .
C(3) C 0.0742(3) 0.1467(4) 0.1128(3) 0.0596(13) Uani 1.00 1 d . . .
C(4) C -0.0245(4) 0.0992(5) 0.1058(4) 0.090(2) Uani 1.00 1 d . . .
C(5) C -0.0339(5) -0.0141(6) 0.1166(4) 0.098(2) Uani 1.00 1 d . . .
C(6) C 0.0559(4) -0.0744(5) 0.1370(3) 0.0792(19) Uani 1.00 1 d . . .
C(7) C 0.1535(4) -0.0231(3) 0.1433(2) 0.0583(13) Uani 1.00 1 d . . .
C(8) C 0.0926(4) 0.2688(4) 0.1031(2) 0.0617(14) Uani 1.00 1 d . . .
C(9) C 0.0155(5) 0.3506(5) 0.0897(3) 0.0791(18) Uani 1.00 1 d . . .
C(10) C 0.0471(6) 0.4575(5) 0.0867(3) 0.086(2) Uani 1.00 1 d . . .
C(11) C 0.1537(5) 0.4874(4) 0.0963(3) 0.0812(19) Uani 1.00 1 d . . .
C(12) C 0.2303(4) 0.4051(3) 0.1088(2) 0.0597(13) Uani 1.00 1 d . . .
C(13) C 0.3452(4) 0.4188(3) 0.1259(2) 0.0621(14) Uani 1.00 1 d . . .
C(14) C 0.3981(6) 0.5191(4) 0.1234(3) 0.087(2) Uani 1.00 1 d . . .
C(15) C 0.5059(6) 0.5231(5) 0.1428(5) 0.105(2) Uani 1.00 1 d . . .
C(16) C 0.5585(5) 0.4297(5) 0.1640(4) 0.091(2) Uani 1.00 1 d . . .
C(17) C 0.5040(4) 0.3291(4) 0.1659(3) 0.0654(15) Uani 1.00 1 d . . .
H(1) H 0.5980 -0.0606 0.2546 0.127 Uiso 1.00 1 c R . .
H(2) H 0.5293 -0.1497 0.2117 0.127 Uiso 1.00 1 c R . .
H(3) H 0.6084 -0.0763 0.1655 0.127 Uiso 1.00 1 c R . .
H(4) H -0.0861 0.1427 0.0930 0.107 Uiso 1.00 1 c R . .
H(5) H -0.1017 -0.0497 0.1105 0.117 Uiso 1.00 1 c R . .
H(6) H 0.0505 -0.1521 0.1453 0.095 Uiso 1.00 1 c R . .
H(7) H 0.2158 -0.0647 0.1573 0.070 Uiso 1.00 1 c R . .
H(8) H -0.0582 0.3316 0.0827 0.095 Uiso 1.00 1 c R . .
H(9) H -0.0050 0.5141 0.0780 0.104 Uiso 1.00 1 c R . .
H(10) H 0.1757 0.5629 0.0946 0.097 Uiso 1.00 1 c R . .
H(11) H 0.3606 0.5844 0.1079 0.105 Uiso 1.00 1 c R . .
H(12) H 0.5438 0.5916 0.1414 0.126 Uiso 1.00 1 c R . .
H(13) H 0.6327 0.4329 0.1778 0.109 Uiso 1.00 1 c R . .
H(14) H 0.5411 0.2634 0.1809 0.079 Uiso 1.00 1 c R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cl Cl 0.148 0.159
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.259 0.836
;
International Tables for Crystallography
(1992, 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_publ_flag
Cl(1) Ru(1) N(1) 177.99(12) no
Cl(1) Ru(1) N(2) 88.80(11) no
Cl(1) Ru(1) N(3) 86.84(10) no
Cl(1) Ru(1) N(4) 85.60(12) no
Cl(1) Ru(1) N(5) 86.95(12) no
N(1) Ru(1) N(2) 89.22(16) no
N(1) Ru(1) N(3) 93.83(15) no
N(1) Ru(1) N(4) 96.38(16) no
N(1) Ru(1) N(5) 93.05(16) no
N(2) Ru(1) N(3) 100.08(14) no
N(2) Ru(1) N(4) 174.40(16) no
N(2) Ru(1) N(5) 99.58(15) no
N(3) Ru(1) N(4) 79.91(14) yes
N(3) Ru(1) N(5) 159.24(14) yes
N(4) Ru(1) N(5) 79.87(15) yes
F(1) P(1) F(2) 88.0(2) no
F(1) P(1) F(3) 90.3(2) no
F(1) P(1) F(4) 179.0(2) no
F(1) P(1) F(5) 92.2(2) no
F(1) P(1) F(6) 90.9(2) no
F(2) P(1) F(3) 90.0(2) no
F(2) P(1) F(4) 91.2(2) no
F(2) P(1) F(5) 177.8(2) no
F(2) P(1) F(6) 91.1(2) no
F(3) P(1) F(4) 90.3(2) no
F(3) P(1) F(5) 87.8(2) no
F(3) P(1) F(6) 178.4(2) no
F(4) P(1) F(5) 88.6(2) no
F(4) P(1) F(6) 88.5(2) no
F(5) P(1) F(6) 91.2(2) no
F(7) P(2) F(8) 93.8(4) no
F(7) P(2) F(9) 86.7(4) no
F(7) P(2) F(10) 178.8(4) no
F(7) P(2) F(11) 90.8(5) no
F(7) P(2) F(12) 92.5(4) no
F(8) P(2) F(9) 90.2(3) no
F(8) P(2) F(10) 85.1(4) no
F(8) P(2) F(11) 174.7(4) no
F(8) P(2) F(12) 88.4(3) no
F(9) P(2) F(10) 93.3(4) no
F(9) P(2) F(11) 87.3(3) no
F(9) P(2) F(12) 178.3(4) no
F(10) P(2) F(11) 90.4(4) no
F(10) P(2) F(12) 87.5(4) no
F(11) P(2) F(12) 94.2(3) no
Ru(1) N(1) O(1) 175.6(3) yes
Ru(1) N(2) C(1) 170.2(4) no
Ru(1) N(3) C(3) 113.2(3) no
Ru(1) N(3) C(7) 127.9(3) no
C(3) N(3) C(7) 118.9(4) no
Ru(1) N(4) C(8) 117.9(3) no
Ru(1) N(4) C(12) 117.3(3) no
C(8) N(4) C(12) 124.5(4) no
Ru(1) N(5) C(13) 112.5(3) no
Ru(1) N(5) C(17) 127.4(3) no
C(13) N(5) C(17) 120.1(4) no
N(2) C(1) C(2) 178.2(5) no
N(3) C(3) C(4) 122.1(5) no
N(3) C(3) C(8) 114.9(4) no
C(4) C(3) C(8) 122.9(4) no
C(3) C(4) C(5) 118.8(5) no
C(4) C(5) C(6) 119.1(5) no
C(5) C(6) C(7) 120.0(5) no
N(3) C(7) C(6) 121.0(4) no
N(4) C(8) C(3) 114.0(4) no
N(4) C(8) C(9) 118.5(5) no
C(3) C(8) C(9) 127.4(4) no
C(8) C(9) C(10) 118.9(6) no
C(9) C(10) C(11) 121.6(6) no
C(10) C(11) C(12) 119.1(5) no
N(4) C(12) C(11) 117.4(5) no
N(4) C(12) C(13) 114.6(4) no
C(11) C(12) C(13) 127.9(4) no
N(5) C(13) C(12) 115.6(4) no
N(5) C(13) C(14) 120.5(5) no
C(12) C(13) C(14) 124.0(4) no
C(13) C(14) C(15) 119.1(5) no
C(14) C(15) C(16) 120.1(6) no
C(15) C(16) C(17) 120.0(6) no
N(5) C(17) C(16) 120.2(4) no
C(1) C(2) H(1) 109.9 no
C(1) C(2) H(2) 110.0 no
C(1) C(2) H(3) 108.6 no
H(1) C(2) H(2) 109.5 no
H(1) C(2) H(3) 109.5 no
H(2) C(2) H(3) 109.5 no
C(3) C(4) H(4) 120.8(7) no
C(5) C(4) H(4) 120.4(7) no
C(4) C(5) H(5) 120.5(7) no
C(6) C(5) H(5) 120.4(8) no
C(5) C(6) H(6) 120.0(6) no
C(7) C(6) H(6) 120.0(6) no
N(3) C(7) H(7) 118.8(5) no
C(6) C(7) H(7) 120.1(5) no
C(8) C(9) H(8) 120.7(7) no
C(10) C(9) H(8) 120.4(7) no
C(9) C(10) H(9) 119.5(8) no
C(11) C(10) H(9) 118.9(7) no
C(10) C(11) H(10) 121.4(7) no
C(12) C(11) H(10) 119.4(8) no
C(13) C(14) H(11) 120.2(8) no
C(15) C(14) H(11) 120.6(7) no
C(14) C(15) H(12) 120.3(8) no
C(16) C(15) H(12) 119.5(8) no
C(15) C(16) H(13) 119.9(7) no
C(17) C(16) H(13) 120.1(7) no
N(5) C(17) H(14) 119.8(5) no
C(16) C(17) H(14) 119.9(6) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ru(1) Cl(1) 2.3190(12) yes
Ru(1) N(1) 1.780(4) yes
Ru(1) N(2) 2.081(3) yes
Ru(1) N(3) 2.085(3) yes
Ru(1) N(4) 1.984(3) yes
Ru(1) N(5) 2.086(3) yes
P(1) F(1) 1.575(5) no
P(1) F(2) 1.573(4) no
P(1) F(3) 1.572(4) no
P(1) F(4) 1.586(3) no
P(1) F(5) 1.582(5) no
P(1) F(6) 1.557(5) no
P(2) F(7) 1.519(7) no
P(2) F(8) 1.554(6) no
P(2) F(9) 1.544(7) no
P(2) F(10) 1.568(8) no
P(2) F(11) 1.557(6) no
P(2) F(12) 1.529(7) no
O(1) N(1) 1.109(5) yes
N(2) C(1) 1.106(6) no
N(3) C(3) 1.355(6) no
N(3) C(7) 1.347(5) no
N(4) C(8) 1.336(6) no
N(4) C(12) 1.346(5) no
N(5) C(13) 1.365(6) no
N(5) C(17) 1.342(6) no
C(1) C(2) 1.461(9) no
C(3) C(4) 1.358(7) no
C(3) C(8) 1.499(7) no
C(4) C(5) 1.383(10) no
C(5) C(6) 1.372(8) no
C(6) C(7) 1.365(7) no
C(8) C(9) 1.391(8) no
C(9) C(10) 1.348(9) no
C(10) C(11) 1.382(10) no
C(11) C(12) 1.389(8) no
C(12) C(13) 1.464(7) no
C(13) C(14) 1.376(7) no
C(14) C(15) 1.378(10) no
C(15) C(16) 1.348(9) no
C(16) C(17) 1.389(8) no
C(2) H(1) 0.950 no
C(2) H(2) 0.950 no
C(2) H(3) 0.950 no
C(4) H(4) 0.950(9) no
C(5) H(5) 0.950(9) no
C(6) H(6) 0.950(8) no
C(7) H(7) 0.950(6) no
C(9) H(8) 0.950(9) no
C(10) H(9) 0.950(10) no
C(11) H(10) 0.950(8) no
C(14) H(11) 0.950(8) no
C(15) H(12) 0.950(9) no
C(16) H(13) 0.950(9) no
C(17) H(14) 0.950(7) no
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_publ_flag
Cl(1) Ru(1) N(1) O(1) 1(7) no
Cl(1) Ru(1) N(2) C(1) -157(2) no
Cl(1) Ru(1) N(3) C(3) 85.7(3) no
Cl(1) Ru(1) N(3) C(7) -94.0(3) no
Cl(1) Ru(1) N(4) C(8) -85.3(3) no
Cl(1) Ru(1) N(4) C(12) 88.0(3) no
Cl(1) Ru(1) N(5) C(13) -88.7(3) no
Cl(1) Ru(1) N(5) C(17) 93.5(4) no
N(1) Ru(1) N(2) C(1) 22(2) no
N(2) Ru(1) N(1) O(1) -9(4) no
N(1) Ru(1) N(3) C(3) -96.2(3) no
N(1) Ru(1) N(3) C(7) 84.1(4) no
N(3) Ru(1) N(1) O(1) -109(4) no
N(1) Ru(1) N(4) C(8) 95.0(3) no
N(1) Ru(1) N(4) C(12) -91.6(3) no
N(4) Ru(1) N(1) O(1) 171(4) no
N(1) Ru(1) N(5) C(13) 93.3(3) no
N(1) Ru(1) N(5) C(17) -84.5(4) no
N(5) Ru(1) N(1) O(1) 91(4) no
N(2) Ru(1) N(3) C(3) 173.9(3) no
N(2) Ru(1) N(3) C(7) -5.8(4) no
N(3) Ru(1) N(2) C(1) 116(2) no
N(2) Ru(1) N(4) C(8) -88.1(16) no
N(2) Ru(1) N(4) C(12) 85.2(16) no
N(4) Ru(1) N(2) C(1) -155(2) no
N(2) Ru(1) N(5) C(13) -177.0(3) no
N(2) Ru(1) N(5) C(17) 5.3(4) no
N(5) Ru(1) N(2) C(1) -71(2) no
N(3) Ru(1) N(4) C(8) 2.3(3) no
N(3) Ru(1) N(4) C(12) 175.6(3) no
N(4) Ru(1) N(3) C(3) -0.4(3) no
N(4) Ru(1) N(3) C(7) 179.9(3) no
N(3) Ru(1) N(5) C(13) -15.9(6) no
N(3) Ru(1) N(5) C(17) 166.3(4) no
N(5) Ru(1) N(3) C(3) 12.9(6) no
N(5) Ru(1) N(3) C(7) -166.8(4) no
N(4) Ru(1) N(5) C(13) -2.6(3) no
N(4) Ru(1) N(5) C(17) 179.6(4) no
N(5) Ru(1) N(4) C(8) -173.0(3) no
N(5) Ru(1) N(4) C(12) 0.4(3) no
Ru(1) N(2) C(1) C(2) -69(19) no
Ru(1) N(3) C(3) C(4) -179.1(4) no
Ru(1) N(3) C(3) C(8) -1.2(5) no
Ru(1) N(3) C(7) C(6) 179.0(4) no
C(3) N(3) C(7) C(6) -0.6(7) no
C(7) N(3) C(3) C(4) 0.6(7) no
C(7) N(3) C(3) C(8) 178.4(4) no
Ru(1) N(4) C(8) C(3) -3.5(5) no
Ru(1) N(4) C(8) C(9) 174.6(4) no
Ru(1) N(4) C(12) C(11) -173.9(3) no
Ru(1) N(4) C(12) C(13) 1.9(5) no
C(8) N(4) C(12) C(11) -1.0(7) no
C(8) N(4) C(12) C(13) 174.7(4) no
C(12) N(4) C(8) C(3) -176.3(4) no
C(12) N(4) C(8) C(9) 1.7(7) no
Ru(1) N(5) C(13) C(12) 4.4(5) no
Ru(1) N(5) C(13) C(14) -176.9(4) no
Ru(1) N(5) C(17) C(16) 176.7(4) no
C(13) N(5) C(17) C(16) -0.9(8) no
C(17) N(5) C(13) C(12) -177.7(4) no
C(17) N(5) C(13) C(14) 1.1(7) no
N(3) C(3) C(4) C(5) -1.6(10) no
N(3) C(3) C(8) N(4) 3.1(6) no
N(3) C(3) C(8) C(9) -174.8(5) no
C(4) C(3) C(8) N(4) -179.1(5) no
C(4) C(3) C(8) C(9) 3.1(9) no
C(8) C(3) C(4) C(5) -179.3(6) no
C(3) C(4) C(5) C(6) 2.6(11) no
C(4) C(5) C(6) C(7) -2.7(10) no
C(5) C(6) C(7) N(3) 1.7(9) no
N(4) C(8) C(9) C(10) -1.4(8) no
C(3) C(8) C(9) C(10) 176.4(5) no
C(8) C(9) C(10) C(11) 0.3(7) no
C(9) C(10) C(11) C(12) 0.4(7) no
C(10) C(11) C(12) N(4) -0.1(6) no
C(10) C(11) C(12) C(13) -175.2(5) no
N(4) C(12) C(13) N(5) -4.2(6) no
N(4) C(12) C(13) C(14) 177.1(5) no
C(11) C(12) C(13) N(5) 171.0(5) no
C(11) C(12) C(13) C(14) -7.7(9) no
N(5) C(13) C(14) C(15) -0.5(8) no
C(12) C(13) C(14) C(15) 178.1(6) no
C(13) C(14) C(15) C(16) -0.2(9) no
C(14) C(15) C(16) C(17) 0.4(8) no
C(15) C(16) C(17) N(5) 0.2(8) no
