#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:10:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178838 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/92/4109249.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_4109249
loop_
_publ_author_name
'Theodore Lazarides'
'Timothy L. Easun'
'Claire Veyne-Marti'
'Wassim Z. Alsindi'
'Michael W. George'
'Nina Deppermann'
'Christopher A. Hunter'
'Harry Adams'
'Michael D. Ward'
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
 Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2-
 with Different Metal Cations: Metallochromism and Its Use in Switching
 Photoinduced Energy Transfer
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4014
_journal_page_last               4027
_journal_paper_doi               10.1021/ja068436n
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C14 H14 K2 N6 O3 Ru'
_chemical_formula_weight         493.58
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.383(7)
_cell_angle_beta                 94.459(7)
_cell_angle_gamma                106.479(5)
_cell_formula_units_Z            2
_cell_length_a                   7.5370(8)
_cell_length_b                   9.9846(11)
_cell_length_c                   13.435(2)
_cell_measurement_reflns_used    7121
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      55.044
_cell_measurement_theta_min      5.704
_cell_volume                     932.0(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0165
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17537
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.314
_exptl_absorpt_correction_T_max  0.8798
_exptl_absorpt_correction_T_min  0.7790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            ORANGE
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0360P)²+1.0442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0638
_reflns_number_gt                4085
_reflns_number_total             4240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja068436nsi20070122_062933_3.cif
_cod_data_source_block           imw738m
_cod_original_cell_volume        931.9(2)
_cod_database_code               4109249
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
N5 N 0.4944(2) 0.65623(18) 0.44545(13) 0.0175(3) Uani 1 1 d .
N6 N -0.0652(3) 0.6370(2) 0.28587(14) 0.0194(3) Uani 1 1 d .
N4 N -0.0076(2) 0.29442(19) 0.42472(13) 0.0186(3) Uani 1 1 d .
N3 N 0.4509(3) 0.2225(2) 0.24547(14) 0.0225(4) Uani 1 1 d .
O2 O 0.2780(2) -0.12608(14) 0.48216(11) 0.0169(3) Uani 1 1 d .
H2WA H 0.3539 -0.1813 0.4502 0.020 Uiso 1 1 d R
H2WB H 0.1695 -0.1899 0.4986 0.020 Uiso 1 1 d R
O3 O -0.1203(2) -0.09147(18) 0.36439(14) 0.0322(4) Uani 1 1 d .
H3WA H -0.2066 -0.0576 0.3285 0.039 Uiso 1 1 d R
H3WB H -0.1281 -0.1886 0.3289 0.039 Uiso 1 1 d R
O1 O 0.5528(3) -0.0071(2) 0.30975(16) 0.0410(5) Uani 1 1 d .
H1WA H 0.5627 0.0623 0.3744 0.049 Uiso 1 1 d R
H1WB H 0.6485 0.0288 0.2707 0.049 Uiso 1 1 d R
Ru1 Ru 0.197023(19) 0.433658(15) 0.260674(10) 0.01141(6) Uani 1 1 d .
K1 K 0.27172(6) 0.53525(5) 0.59165(3) 0.01662(9) Uani 1 1 d .
K2 K 0.22534(7) 0.10136(5) 0.42814(4) 0.02444(11) Uani 1 1 d .
N2 N 0.3106(2) 0.53210(17) 0.14738(12) 0.0136(3) Uani 1 1 d .
C13 C 0.3819(3) 0.5740(2) 0.37782(15) 0.0143(3) Uani 1 1 d .
C12 C 0.0665(3) 0.3406(2) 0.36155(15) 0.0146(4) Uani 1 1 d .
C14 C 0.0316(3) 0.5649(2) 0.27627(14) 0.0145(3) Uani 1 1 d .
C11 C 0.3602(3) 0.2991(2) 0.24835(14) 0.0152(4) Uani 1 1 d .
N1 N 0.0277(2) 0.29288(17) 0.12057(13) 0.0146(3) Uani 1 1 d .
C4 C -0.0096(3) 0.2380(2) -0.06525(15) 0.0189(4) Uani 1 1 d .
H4 H 0.0278 0.2642 -0.1258 0.023 Uiso 1 1 calc R
C6 C 0.2268(3) 0.4667(2) 0.04824(14) 0.0143(3) Uani 1 1 d .
C5 C 0.0769(3) 0.3281(2) 0.03281(15) 0.0144(3) Uani 1 1 d .
C9 C 0.5049(3) 0.7270(2) 0.09141(16) 0.0188(4) Uani 1 1 d .
H9 H 0.6016 0.8173 0.1083 0.023 Uiso 1 1 calc R
C3 C -0.1505(3) 0.1101(2) -0.07321(16) 0.0222(4) Uani 1 1 d .
H3 H -0.2103 0.0470 -0.1391 0.027 Uiso 1 1 calc R
C10 C 0.4467(3) 0.6604(2) 0.16812(15) 0.0164(4) Uani 1 1 d .
H10 H 0.5047 0.7067 0.2378 0.020 Uiso 1 1 calc R
C2 C -0.2027(3) 0.0759(2) 0.01670(17) 0.0227(4) Uani 1 1 d .
H2 H -0.3002 -0.0105 0.0132 0.027 Uiso 1 1 calc R
C1 C -0.1112(3) 0.1690(2) 0.11202(16) 0.0188(4) Uani 1 1 d .
H1 H -0.1477 0.1446 0.1733 0.023 Uiso 1 1 calc R
C7 C 0.2791(3) 0.5288(2) -0.03215(15) 0.0169(4) Uani 1 1 d .
H7 H 0.2184 0.4814 -0.1012 0.020 Uiso 1 1 calc R
C8 C 0.4202(3) 0.6599(2) -0.01067(16) 0.0181(4) Uani 1 1 d .
H8 H 0.4584 0.7033 -0.0646 0.022 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
K K 0.2009 0.2494 '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'
O O 0.0106 0.0060 '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
C13 N5 K2 165.07(15) . 2_666
C13 N5 K1 88.69(13) . .
K2 N5 K1 103.98(6) 2_666 .
C13 N5 K1 88.78(13) . 2_666
K2 N5 K1 96.53(5) 2_666 2_666
K1 N5 K1 100.30(5) . 2_666
C14 N6 K1 89.26(13) . 2_566
C12 N4 K2 92.35(13) . .
C12 N4 K1 88.58(13) . 2_566
K2 N4 K1 174.50(7) . 2_566
C12 N4 K1 90.02(13) . .
K2 N4 K1 91.42(5) . .
K1 N4 K1 94.00(5) 2_566 .
C11 N3 K1 86.34(13) . 2_666
C11 N3 K2 87.36(14) . .
K1 N3 K2 90.55(5) 2_666 .
K2 O3 K2 97.85(6) . 2_556
C13 Ru1 C12 88.68(8) . .
C13 Ru1 C14 90.12(7) . .
C12 Ru1 C14 88.41(7) . .
C13 Ru1 C11 89.69(7) . .
C12 Ru1 C11 89.90(8) . .
C14 Ru1 C11 178.30(7) . .
C13 Ru1 N2 94.92(7) . .
C12 Ru1 N2 174.59(7) . .
C14 Ru1 N2 87.56(7) . .
C11 Ru1 N2 94.14(7) . .
C13 Ru1 N1 171.55(7) . .
C12 Ru1 N1 99.41(7) . .
C14 Ru1 N1 92.51(7) . .
C11 Ru1 N1 87.91(7) . .
N2 Ru1 N1 77.18(6) . .
N6 K1 N5 168.45(5) 2_566 .
N6 K1 N5 90.11(5) 2_566 2_666
N5 K1 N5 79.70(5) . 2_666
N6 K1 N4 96.12(5) 2_566 2_566
N5 K1 N4 92.77(5) . 2_566
N5 K1 N4 166.47(5) 2_666 2_566
N6 K1 N3 101.91(5) 2_566 2_666
N5 K1 N3 84.86(5) . 2_666
N5 K1 N3 97.03(5) 2_666 2_666
N4 K1 N3 93.43(5) 2_566 2_666
N6 K1 N4 79.03(5) 2_566 .
N5 K1 N4 94.28(5) . .
N5 K1 N4 83.40(5) 2_666 .
N4 K1 N4 86.00(5) 2_566 .
N3 K1 N4 178.95(5) 2_666 .
N6 K1 C14 22.00(5) 2_566 2_566
N5 K1 C14 166.55(5) . 2_566
N5 K1 C14 112.06(5) 2_666 2_566
N4 K1 C14 74.38(5) 2_566 2_566
N3 K1 C14 99.59(5) 2_666 2_566
N4 K1 C14 81.12(5) . 2_566
N6 K1 C13 150.72(6) 2_566 .
N5 K1 C13 21.86(5) . .
N5 K1 C13 79.90(5) 2_666 .
N4 K1 C13 88.92(5) 2_566 .
N3 K1 C13 106.57(6) 2_666 .
N4 K1 C13 72.55(5) . .
C14 K1 C13 149.74(5) 2_566 .
N6 K1 C13 92.70(5) 2_566 2_666
N5 K1 C13 79.87(5) . 2_666
N5 K1 C13 21.82(5) 2_666 2_666
N4 K1 C13 166.95(5) 2_566 2_666
N3 K1 C13 75.30(5) 2_666 2_666
N4 K1 C13 105.16(5) . 2_666
C14 K1 C13 113.50(5) 2_566 2_666
C13 K1 C13 88.06(5) . 2_666
N6 K1 C11 98.98(5) 2_566 2_666
N5 K1 C11 83.84(5) . 2_666
N5 K1 C11 75.64(5) 2_666 2_666
N4 K1 C11 115.00(5) 2_566 2_666
N3 K1 C11 21.57(5) 2_666 2_666
N4 K1 C11 158.96(5) . 2_666
C14 K1 C11 104.97(5) 2_566 2_666
C13 K1 C11 104.94(5) . 2_666
C13 K1 C11 53.84(5) 2_666 2_666
N6 K1 C12 75.09(5) 2_566 2_566
N5 K1 C12 114.16(5) . 2_566
N5 K1 C12 163.34(5) 2_666 2_566
N4 K1 C12 21.45(5) 2_566 2_566
N3 K1 C12 93.55(5) 2_666 2_566
N4 K1 C12 86.25(5) . 2_566
C14 K1 C12 53.17(5) 2_566 2_566
C13 K1 C12 109.35(5) . 2_566
C13 K1 C12 161.63(5) 2_666 2_566
C11 K1 C12 113.70(5) 2_666 2_566
N6 K1 C12 99.98(5) 2_566 .
N5 K1 C12 73.29(5) . .
N5 K1 C12 81.32(5) 2_666 .
N4 K1 C12 85.76(5) 2_566 .
N3 K1 C12 158.05(5) 2_666 .
N4 K1 C12 21.04(5) . .
C14 K1 C12 101.29(5) 2_566 .
C13 K1 C12 51.52(5) . .
C13 K1 C12 102.19(5) 2_666 .
C11 K1 C12 150.03(5) 2_666 .
C12 K1 C12 93.55(5) 2_566 .
O2 K2 O3 79.54(5) . .
O2 K2 N5 105.76(5) . 2_666
O3 K2 N5 157.04(5) . 2_666
O2 K2 N4 148.46(5) . .
O3 K2 N4 78.41(5) . .
N5 K2 N4 86.98(5) 2_666 .
O2 K2 O3 68.67(5) . 2_556
O3 K2 O3 82.15(6) . 2_556
N5 K2 O3 79.27(5) 2_666 2_556
N4 K2 O3 86.16(5) . 2_556
O2 K2 C12 167.49(5) . .
O3 K2 C12 88.60(5) . .
N5 K2 C12 83.70(5) 2_666 .
N4 K2 C12 21.14(5) . .
O3 K2 C12 105.98(5) 2_556 .
O2 K2 O1 68.49(5) . .
O3 K2 O1 113.02(5) . .
N5 K2 O1 89.40(5) 2_666 .
N4 K2 O1 141.74(5) . .
O3 K2 O1 130.41(5) 2_556 .
C12 K2 O1 120.65(5) . .
O2 K2 N3 119.63(5) . .
O3 K2 N3 116.77(5) . .
N5 K2 N3 80.58(5) 2_666 .
N4 K2 N3 90.52(5) . .
O3 K2 N3 159.72(5) 2_556 .
C12 K2 N3 69.37(5) . .
O1 K2 N3 51.37(5) . .
O2 K2 C11 138.72(5) . .
O3 K2 C11 111.62(5) . .
N5 K2 C11 79.51(5) 2_666 .
N4 K2 C11 71.20(5) . .
O3 K2 C11 149.60(5) 2_556 .
C12 K2 C11 50.06(5) . .
O1 K2 C11 70.69(5) . .
N3 K2 C11 19.33(5) . .
O2 K2 K2 68.46(3) . 2_556
O3 K2 K2 43.50(4) . 2_556
N5 K2 K2 116.82(4) 2_666 2_556
N4 K2 K2 80.03(4) . 2_556
O3 K2 K2 38.65(3) 2_556 2_556
C12 K2 K2 100.13(4) . 2_556
O1 K2 K2 134.19(4) . 2_556
N3 K2 K2 159.36(4) . 2_556
C11 K2 K2 146.26(4) . 2_556
O2 K2 K1 134.84(4) . .
O3 K2 K1 118.08(4) . .
N5 K2 K1 42.94(4) 2_666 .
N4 K2 K1 44.90(4) . .
O3 K2 K1 73.02(4) 2_556 .
C12 K2 K1 48.68(3) . .
O1 K2 K1 126.43(4) . .
N3 K2 K1 90.58(3) . .
C11 K2 K1 76.61(3) . .
K2 K2 K1 95.385(18) 2_556 .
O2 K2 K1 119.14(3) . 2_666
O3 K2 K1 155.48(4) . 2_666
N5 K2 K1 39.03(4) 2_666 2_666
N4 K2 K1 89.06(4) . 2_666
O3 K2 K1 118.30(4) 2_556 2_666
C12 K2 K1 73.37(4) . 2_666
O1 K2 K1 65.43(4) . 2_666
N3 K2 K1 41.56(3) . 2_666
C11 K2 K1 43.93(3) . 2_666
K2 K2 K1 154.56(2) 2_556 2_666
K1 K2 K1 61.519(13) . 2_666
C10 N2 C6 118.83(16) . .
C10 N2 Ru1 124.50(13) . .
C6 N2 Ru1 116.37(13) . .
N5 C13 Ru1 178.29(17) . .
N5 C13 K1 69.46(12) . .
Ru1 C13 K1 111.84(8) . .
N5 C13 K1 69.40(12) . 2_666
Ru1 C13 K1 109.28(7) . 2_666
K1 C13 K1 91.94(5) . 2_666
N4 C12 Ru1 175.83(17) . .
N4 C12 K1 69.96(12) . 2_566
Ru1 C12 K1 107.95(7) . 2_566
N4 C12 K2 66.50(12) . .
Ru1 C12 K2 115.83(7) . .
K1 C12 K2 136.15(7) 2_566 .
N4 C12 K1 68.94(12) . .
Ru1 C12 K1 107.56(7) . .
K1 C12 K1 86.45(5) 2_566 .
K2 C12 K1 82.99(5) . .
N6 C14 Ru1 178.45(17) . .
N6 C14 K1 68.75(12) . 2_566
Ru1 C14 K1 109.76(7) . 2_566
N3 C11 Ru1 177.14(17) . .
N3 C11 K1 72.09(13) . 2_666
Ru1 C11 K1 106.90(7) . 2_666
N3 C11 K2 73.31(13) . .
Ru1 C11 K2 104.01(7) . .
K1 C11 K2 85.60(5) 2_666 .
C1 N1 C5 118.56(17) . .
C1 N1 Ru1 125.92(14) . .
C5 N1 Ru1 115.30(13) . .
C3 C4 C5 119.34(19) . .
N2 C6 C7 121.43(18) . .
N2 C6 C5 115.22(16) . .
C7 C6 C5 123.35(17) . .
N1 C5 C4 121.65(18) . .
N1 C5 C6 115.51(16) . .
C4 C5 C6 122.84(18) . .
C10 C9 C8 119.17(19) . .
C2 C3 C4 118.79(19) . .
N2 C10 C9 122.30(18) . .
C3 C2 C1 119.41(19) . .
N1 C1 C2 122.23(19) . .
C8 C7 C6 119.58(18) . .
C7 C8 C9 118.69(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N5 C13 1.165(3) .
N5 K2 2.8005(18) 2_666
N5 K1 2.9317(18) .
N5 K1 2.9358(17) 2_666
N6 C14 1.156(3) .
N6 K1 2.8771(19) 2_566
N4 C12 1.163(3) .
N4 K2 2.9579(18) .
N4 K1 2.9881(18) 2_566
N4 K1 3.0234(18) .
N3 C11 1.158(3) .
N3 K1 2.9968(19) 2_666
N3 K2 3.351(2) .
O2 K2 2.6592(14) .
O3 K2 2.6966(17) .
O3 K2 2.972(2) 2_556
O1 K2 3.335(2) .
Ru1 C13 1.978(2) .
Ru1 C12 1.985(2) .
Ru1 C14 2.039(2) .
Ru1 C11 2.052(2) .
Ru1 N2 2.1056(16) .
Ru1 N1 2.1287(16) .
K1 N6 2.8771(19) 2_566
K1 N5 2.9358(17) 2_666
K1 N4 2.9881(18) 2_566
K1 N3 2.9968(19) 2_666
K1 C14 3.0868(19) 2_566
K1 C13 3.1299(19) .
K1 C13 3.1355(19) 2_666
K1 C11 3.143(2) 2_666
K1 C12 3.1796(19) 2_566
K1 C12 3.240(2) .
K2 N5 2.8005(18) 2_666
K2 O3 2.972(2) 2_556
K2 C12 3.2226(19) .
K2 C11 3.495(2) .
K2 K2 4.2769(11) 2_556
K2 K1 4.5172(8) 2_666
N2 C10 1.347(3) .
N2 C6 1.354(2) .
C13 K1 3.1355(19) 2_666
C12 K1 3.1796(19) 2_566
C14 K1 3.0868(19) 2_566
C11 K1 3.1429(19) 2_666
N1 C1 1.349(3) .
N1 C5 1.356(3) .
C4 C3 1.386(3) .
C4 C5 1.398(3) .
C6 C7 1.394(3) .
C6 C5 1.476(3) .
C9 C10 1.385(3) .
C9 C8 1.390(3) .
C3 C2 1.385(3) .
C2 C1 1.388(3) .
C7 C8 1.384(3) .
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_4
C13 N5 K1 N6 60.2(3) . 2_566
K2 N5 K1 N6 -127.8(2) 2_666 2_566
K1 N5 K1 N6 -28.4(3) 2_666 2_566
C13 N5 K1 N5 88.52(13) . 2_666
K2 N5 K1 N5 -99.46(7) 2_666 2_666
K1 N5 K1 N5 0.0 2_666 2_666
C13 N5 K1 N4 -80.15(13) . 2_566
K2 N5 K1 N4 91.86(6) 2_666 2_566
K1 N5 K1 N4 -168.68(5) 2_666 2_566
C13 N5 K1 N3 -173.35(13) . 2_666
K2 N5 K1 N3 -1.34(5) 2_666 2_666
K1 N5 K1 N3 98.12(6) 2_666 2_666
C13 N5 K1 N4 6.04(13) . .
K2 N5 K1 N4 178.05(5) 2_666 .
K1 N5 K1 N4 -82.48(5) 2_666 .
C13 N5 K1 C14 -63.3(3) . 2_566
K2 N5 K1 C14 108.7(2) 2_666 2_566
K1 N5 K1 C14 -151.8(2) 2_666 2_566
K2 N5 K1 C13 172.01(16) 2_666 .
K1 N5 K1 C13 -88.52(13) 2_666 .
C13 N5 K1 C13 110.69(12) . 2_666
K2 N5 K1 C13 -77.29(6) 2_666 2_666
K1 N5 K1 C13 22.17(5) 2_666 2_666
C13 N5 K1 C11 164.99(13) . 2_666
K2 N5 K1 C11 -22.99(6) 2_666 2_666
K1 N5 K1 C11 76.47(5) 2_666 2_666
C13 N5 K1 C12 -81.76(13) . 2_566
K2 N5 K1 C12 90.25(6) 2_666 2_566
K1 N5 K1 C12 -170.29(5) 2_666 2_566
C13 N5 K1 C12 4.58(12) . .
K2 N5 K1 C12 176.59(6) 2_666 .
K1 N5 K1 C12 -83.94(5) 2_666 .
C12 N4 K1 N6 -174.39(13) . 2_566
K2 N4 K1 N6 -82.04(5) . 2_566
K1 N4 K1 N6 97.03(5) 2_566 2_566
C12 N4 K1 N5 -3.90(13) . .
K2 N4 K1 N5 88.45(5) . .
K1 N4 K1 N5 -92.48(5) 2_566 .
C12 N4 K1 N5 -83.00(13) . 2_666
K2 N4 K1 N5 9.36(5) . 2_666
K1 N4 K1 N5 -171.58(5) 2_566 2_666
C12 N4 K1 N4 88.58(13) . 2_566
K2 N4 K1 N4 -179.07(7) . 2_566
K1 N4 K1 N4 0.0 2_566 2_566
C12 N4 K1 N3 31(3) . 2_666
K2 N4 K1 N3 124(3) . 2_666
K1 N4 K1 N3 -57(3) 2_566 2_666
C12 N4 K1 C14 163.37(13) . 2_566
K2 N4 K1 C14 -104.27(5) . 2_566
K1 N4 K1 C14 74.80(5) 2_566 2_566
C12 N4 K1 C13 -1.55(12) . .
K2 N4 K1 C13 90.81(5) . .
K1 N4 K1 C13 -90.13(5) 2_566 .
C12 N4 K1 C13 -84.55(13) . 2_666
K2 N4 K1 C13 7.81(6) . 2_666
K1 N4 K1 C13 -173.13(5) 2_566 2_666
C12 N4 K1 C11 -87.86(19) . 2_666
K2 N4 K1 C11 4.49(16) . 2_666
K1 N4 K1 C11 -176.44(12) 2_566 2_666
C12 N4 K1 C12 110.08(12) . 2_566
K2 N4 K1 C12 -157.56(5) . 2_566
K1 N4 K1 C12 21.50(5) 2_566 2_566
K2 N4 K1 C12 92.35(13) . .
K1 N4 K1 C12 -88.58(13) 2_566 .
K2 O3 K2 O2 69.64(5) 2_556 .
K2 O3 K2 N5 -36.16(16) 2_556 2_666
K2 O3 K2 N4 -87.67(5) 2_556 .
K2 O3 K2 O3 0.0 2_556 2_556
K2 O3 K2 C12 -106.34(5) 2_556 .
K2 O3 K2 O1 130.72(5) 2_556 .
K2 O3 K2 N3 -172.32(5) 2_556 .
K2 O3 K2 C11 -151.87(5) 2_556 .
K2 O3 K2 K1 -65.94(5) 2_556 .
K2 O3 K2 K1 -148.31(7) 2_556 2_666
C12 N4 K2 O2 -163.98(12) . .
K1 N4 K2 O2 -64.3(7) 2_566 .
K1 N4 K2 O2 105.95(9) . .
C12 N4 K2 O3 -117.49(14) . .
K1 N4 K2 O3 -17.8(7) 2_566 .
K1 N4 K2 O3 152.44(6) . .
C12 N4 K2 N5 80.31(13) . 2_666
K1 N4 K2 N5 -180(100) 2_566 2_666
K1 N4 K2 N5 -9.76(5) . 2_666
C12 N4 K2 O3 159.75(13) . 2_556
K1 N4 K2 O3 -100.6(7) 2_566 2_556
K1 N4 K2 O3 69.68(5) . 2_556
K1 N4 K2 C12 99.7(7) 2_566 .
K1 N4 K2 C12 -90.08(13) . .
C12 N4 K2 O1 -4.87(17) . .
K1 N4 K2 O1 94.8(7) 2_566 .
K1 N4 K2 O1 -94.94(8) . .
C12 N4 K2 N3 -0.23(13) . .
K1 N4 K2 N3 99.5(7) 2_566 .
K1 N4 K2 N3 -90.30(5) . .
C12 N4 K2 C11 0.36(12) . .
K1 N4 K2 C11 100.1(7) 2_566 .
K1 N4 K2 C11 -89.71(5) . .
C12 N4 K2 K2 -161.78(13) . 2_556
K1 N4 K2 K2 -62.1(7) 2_566 2_556
K1 N4 K2 K2 108.15(4) . 2_556
C12 N4 K2 K1 90.08(13) . .
K1 N4 K2 K1 -170.2(7) 2_566 .
C12 N4 K2 K1 41.31(13) . 2_666
K1 N4 K2 K1 141.0(7) 2_566 2_666
K1 N4 K2 K1 -48.77(4) . 2_666
C11 N3 K2 O2 172.00(12) . .
K1 N3 K2 O2 -101.70(5) 2_666 .
C11 N3 K2 O3 78.95(14) . .
K1 N3 K2 O3 165.25(5) 2_666 .
C11 N3 K2 N5 -85.16(13) . 2_666
K1 N3 K2 N5 1.15(5) 2_666 2_666
C11 N3 K2 N4 1.69(13) . .
K1 N3 K2 N4 88.00(5) 2_666 .
C11 N3 K2 O3 -78.6(2) . 2_556
K1 N3 K2 O3 7.71(16) 2_666 2_556
C11 N3 K2 C12 1.60(13) . .
K1 N3 K2 C12 87.91(5) 2_666 .
C11 N3 K2 O1 178.01(15) . .
K1 N3 K2 O1 -95.68(6) 2_666 .
K1 N3 K2 C11 86.31(13) 2_666 .
C11 N3 K2 K2 63.83(18) . 2_556
K1 N3 K2 K2 150.13(8) 2_666 2_556
C11 N3 K2 K1 -43.22(13) . .
K1 N3 K2 K1 43.09(4) 2_666 .
C11 N3 K2 K1 -86.31(13) . 2_666
N6 K1 K2 O2 -46.77(6) 2_566 .
N5 K1 K2 O2 131.10(6) . .
N5 K1 K2 O2 59.57(7) 2_666 .
N4 K1 K2 O2 -133.62(6) 2_566 .
N3 K1 K2 O2 46.45(8) 2_666 .
N4 K1 K2 O2 -134.83(7) . .
C14 K1 K2 O2 -61.28(6) 2_566 .
C13 K1 K2 O2 147.98(6) . .
C13 K1 K2 O2 53.72(6) 2_666 .
C11 K1 K2 O2 46.96(6) 2_666 .
C12 K1 K2 O2 -106.69(7) 2_566 .
C12 K1 K2 O2 -163.53(7) . .
N6 K1 K2 O3 57.14(6) 2_566 .
N5 K1 K2 O3 -124.99(6) . .
N5 K1 K2 O3 163.48(7) 2_666 .
N4 K1 K2 O3 -29.70(7) 2_566 .
N3 K1 K2 O3 150.36(7) 2_666 .
N4 K1 K2 O3 -30.91(7) . .
C14 K1 K2 O3 42.63(6) 2_566 .
C13 K1 K2 O3 -108.11(6) . .
C13 K1 K2 O3 157.64(6) 2_666 .
C11 K1 K2 O3 150.87(6) 2_666 .
C12 K1 K2 O3 -2.78(7) 2_566 .
C12 K1 K2 O3 -59.62(7) . .
N6 K1 K2 N5 -106.34(7) 2_566 2_666
N5 K1 K2 N5 71.53(7) . 2_666
N4 K1 K2 N5 166.82(7) 2_566 2_666
N3 K1 K2 N5 -13.12(8) 2_666 2_666
N4 K1 K2 N5 165.61(7) . 2_666
C14 K1 K2 N5 -120.85(6) 2_566 2_666
C13 K1 K2 N5 88.41(6) . 2_666
C13 K1 K2 N5 -5.85(7) 2_666 2_666
C11 K1 K2 N5 -12.61(7) 2_666 2_666
C12 K1 K2 N5 -166.26(7) 2_566 2_666
C12 K1 K2 N5 136.90(7) . 2_666
N6 K1 K2 N4 88.06(6) 2_566 .
N5 K1 K2 N4 -94.08(6) . .
N5 K1 K2 N4 -165.61(7) 2_666 .
N4 K1 K2 N4 1.21(9) 2_566 .
N3 K1 K2 N4 -178.72(8) 2_666 .
C14 K1 K2 N4 73.55(6) 2_566 .
C13 K1 K2 N4 -77.20(6) . .
C13 K1 K2 N4 -171.45(6) 2_666 .
C11 K1 K2 N4 -178.22(6) 2_666 .
C12 K1 K2 N4 28.13(6) 2_566 .
C12 K1 K2 N4 -28.70(7) . .
N6 K1 K2 O3 -13.91(5) 2_566 2_556
N5 K1 K2 O3 163.96(5) . 2_556
N5 K1 K2 O3 92.43(6) 2_666 2_556
N4 K1 K2 O3 -100.75(6) 2_566 2_556
N3 K1 K2 O3 79.32(7) 2_666 2_556
N4 K1 K2 O3 -101.96(6) . 2_556
C14 K1 K2 O3 -28.42(5) 2_566 2_556
C13 K1 K2 O3 -179.16(5) . 2_556
C13 K1 K2 O3 86.59(5) 2_666 2_556
C11 K1 K2 O3 79.82(5) 2_666 2_556
C12 K1 K2 O3 -73.83(6) 2_566 2_556
C12 K1 K2 O3 -130.67(6) . 2_556
N6 K1 K2 C12 116.76(6) 2_566 .
N5 K1 K2 C12 -65.37(6) . .
N5 K1 K2 C12 -136.90(7) 2_666 .
N4 K1 K2 C12 29.91(6) 2_566 .
N3 K1 K2 C12 -150.02(8) 2_666 .
N4 K1 K2 C12 28.70(7) . .
C14 K1 K2 C12 102.25(6) 2_566 .
C13 K1 K2 C12 -48.49(6) . .
C13 K1 K2 C12 -142.75(6) 2_666 .
C11 K1 K2 C12 -149.51(6) 2_666 .
C12 K1 K2 C12 56.84(8) 2_566 .
N6 K1 K2 O1 -142.00(6) 2_566 .
N5 K1 K2 O1 35.86(6) . .
N5 K1 K2 O1 -35.67(7) 2_666 .
N4 K1 K2 O1 131.15(6) 2_566 .
N3 K1 K2 O1 -48.78(7) 2_666 .
N4 K1 K2 O1 129.94(7) . .
C14 K1 K2 O1 -156.52(6) 2_566 .
C13 K1 K2 O1 52.74(6) . .
C13 K1 K2 O1 -41.51(6) 2_666 .
C11 K1 K2 O1 -48.28(6) 2_666 .
C12 K1 K2 O1 158.07(6) 2_566 .
C12 K1 K2 O1 101.24(6) . .
N6 K1 K2 N3 178.21(5) 2_566 .
N5 K1 K2 N3 -3.93(5) . .
N5 K1 K2 N3 -75.46(6) 2_666 .
N4 K1 K2 N3 91.36(6) 2_566 .
N3 K1 K2 N3 -88.57(7) 2_666 .
N4 K1 K2 N3 90.15(6) . .
C14 K1 K2 N3 163.70(5) 2_566 .
C13 K1 K2 N3 12.96(5) . .
C13 K1 K2 N3 -81.30(5) 2_666 .
C11 K1 K2 N3 -88.07(5) 2_666 .
C12 K1 K2 N3 118.29(6) 2_566 .
C12 K1 K2 N3 61.45(6) . .
N6 K1 K2 C11 164.74(5) 2_566 .
N5 K1 K2 C11 -17.40(5) . .
N5 K1 K2 C11 -88.93(6) 2_666 .
N4 K1 K2 C11 77.89(6) 2_566 .
N3 K1 K2 C11 -102.04(7) 2_666 .
N4 K1 K2 C11 76.68(6) . .
C14 K1 K2 C11 150.22(5) 2_566 .
C13 K1 K2 C11 -0.52(5) . .
C13 K1 K2 C11 -94.77(5) 2_666 .
C11 K1 K2 C11 -101.54(5) 2_666 .
C12 K1 K2 C11 104.81(6) 2_566 .
C12 K1 K2 C11 47.98(6) . .
N6 K1 K2 K2 18.00(4) 2_566 2_556
N5 K1 K2 K2 -164.14(4) . 2_556
N5 K1 K2 K2 124.33(6) 2_666 2_556
N4 K1 K2 K2 -68.85(5) 2_566 2_556
N3 K1 K2 K2 111.22(6) 2_666 2_556
N4 K1 K2 K2 -70.06(5) . 2_556
C14 K1 K2 K2 3.49(4) 2_566 2_556
C13 K1 K2 K2 -147.25(4) . 2_556
C13 K1 K2 K2 118.49(4) 2_666 2_556
C11 K1 K2 K2 111.72(4) 2_666 2_556
C12 K1 K2 K2 -41.92(5) 2_566 2_556
C12 K1 K2 K2 -98.76(5) . 2_556
N6 K1 K2 K1 -150.75(4) 2_566 2_666
N5 K1 K2 K1 27.11(3) . 2_666
N5 K1 K2 K1 -44.42(5) 2_666 2_666
N4 K1 K2 K1 122.40(5) 2_566 2_666
N3 K1 K2 K1 -57.53(6) 2_666 2_666
N4 K1 K2 K1 121.19(5) . 2_666
C14 K1 K2 K1 -165.27(4) 2_566 2_666
C13 K1 K2 K1 43.99(4) . 2_666
C13 K1 K2 K1 -50.26(4) 2_666 2_666
C11 K1 K2 K1 -57.03(4) 2_666 2_666
C12 K1 K2 K1 149.32(5) 2_566 2_666
C12 K1 K2 K1 92.48(5) . 2_666
C13 Ru1 N2 C10 -8.22(16) . .
C12 Ru1 N2 C10 123.5(7) . .
C14 Ru1 N2 C10 81.70(16) . .
C11 Ru1 N2 C10 -98.26(16) . .
N1 Ru1 N2 C10 174.83(16) . .
C13 Ru1 N2 C6 178.27(13) . .
C12 Ru1 N2 C6 -50.0(7) . .
C14 Ru1 N2 C6 -91.82(14) . .
C11 Ru1 N2 C6 88.22(14) . .
N1 Ru1 N2 C6 1.32(13) . .
K2 N5 C13 Ru1 72(6) 2_666 .
K1 N5 C13 Ru1 -140(6) . .
K1 N5 C13 Ru1 -40(6) 2_666 .
K2 N5 C13 K1 -148.4(6) 2_666 .
K1 N5 C13 K1 100.33(5) 2_666 .
K2 N5 C13 K1 111.2(6) 2_666 2_666
K1 N5 C13 K1 -100.33(5) . 2_666
C12 Ru1 C13 N5 134(6) . .
C14 Ru1 C13 N5 -138(6) . .
C11 Ru1 C13 N5 44(6) . .
N2 Ru1 C13 N5 -50(6) . .
N1 Ru1 C13 N5 -30(6) . .
C12 Ru1 C13 K1 -5.65(8) . .
C14 Ru1 C13 K1 82.76(8) . .
C11 Ru1 C13 K1 -95.56(8) . .
N2 Ru1 C13 K1 170.32(7) . .
N1 Ru1 C13 K1 -169.0(4) . .
C12 Ru1 C13 K1 94.65(8) . 2_666
C14 Ru1 C13 K1 -176.95(7) . 2_666
C11 Ru1 C13 K1 4.74(8) . 2_666
N2 Ru1 C13 K1 -89.39(7) . 2_666
N1 Ru1 C13 K1 -68.7(5) . 2_666
N6 K1 C13 N5 -159.20(12) 2_566 .
N5 K1 C13 N5 -87.49(13) 2_666 .
N4 K1 C13 N5 100.17(13) 2_566 .
N3 K1 C13 N5 6.91(13) 2_666 .
N4 K1 C13 N5 -173.68(13) . .
C14 K1 C13 N5 155.65(13) 2_566 .
C13 K1 C13 N5 -67.13(12) 2_666 .
C11 K1 C13 N5 -15.45(13) 2_666 .
C12 K1 C13 N5 106.86(13) 2_566 .
C12 K1 C13 N5 -174.39(15) . .
N6 K1 C13 Ru1 19.61(15) 2_566 .
N5 K1 C13 Ru1 178.81(18) . .
N5 K1 C13 Ru1 91.32(8) 2_666 .
N4 K1 C13 Ru1 -81.02(8) 2_566 .
N3 K1 C13 Ru1 -174.28(7) 2_666 .
N4 K1 C13 Ru1 5.13(7) . .
C14 K1 C13 Ru1 -25.54(15) 2_566 .
C13 K1 C13 Ru1 111.68(9) 2_666 .
C11 K1 C13 Ru1 163.36(7) 2_666 .
C12 K1 C13 Ru1 -74.32(8) 2_566 .
C12 K1 C13 Ru1 4.42(6) . .
N6 K1 C13 K1 -92.07(10) 2_566 2_666
N5 K1 C13 K1 67.13(12) . 2_666
N5 K1 C13 K1 -20.36(5) 2_666 2_666
N4 K1 C13 K1 167.30(5) 2_566 2_666
N3 K1 C13 K1 74.04(6) 2_666 2_666
N4 K1 C13 K1 -106.55(6) . 2_666
C14 K1 C13 K1 -137.22(9) 2_566 2_666
C13 K1 C13 K1 0.0 2_666 2_666
C11 K1 C13 K1 51.68(6) 2_666 2_666
C12 K1 C13 K1 174.00(5) 2_566 2_666
C12 K1 C13 K1 -107.26(7) . 2_666
K2 N4 C12 Ru1 -125(2) . .
K1 N4 C12 Ru1 61(2) 2_566 .
K1 N4 C12 Ru1 -33(2) . .
K2 N4 C12 K1 174.58(7) . 2_566
K1 N4 C12 K1 -94.00(5) . 2_566
K1 N4 C12 K2 -174.58(7) 2_566 .
K1 N4 C12 K2 91.42(5) . .
K2 N4 C12 K1 -91.42(5) . .
K1 N4 C12 K1 94.00(5) 2_566 .
C13 Ru1 C12 N4 38(2) . .
C14 Ru1 C12 N4 -52(2) . .
C11 Ru1 C12 N4 128(2) . .
N2 Ru1 C12 N4 -94(2) . .
N1 Ru1 C12 N4 -145(2) . .
C13 Ru1 C12 K1 97.28(8) . 2_566
C14 Ru1 C12 K1 7.12(7) . 2_566
C11 Ru1 C12 K1 -173.03(7) . 2_566
N2 Ru1 C12 K1 -34.7(7) . 2_566
N1 Ru1 C12 K1 -85.17(7) . 2_566
C13 Ru1 C12 K2 -85.31(8) . .
C14 Ru1 C12 K2 -175.47(8) . .
C11 Ru1 C12 K2 4.38(8) . .
N2 Ru1 C12 K2 142.7(7) . .
N1 Ru1 C12 K2 92.25(8) . .
C13 Ru1 C12 K1 5.32(7) . .
C14 Ru1 C12 K1 -84.85(7) . .
C11 Ru1 C12 K1 95.01(7) . .
N2 Ru1 C12 K1 -126.7(7) . .
N1 Ru1 C12 K1 -177.13(6) . .
O2 K2 C12 N4 41.8(3) . .
O3 K2 C12 N4 60.37(13) . .
N5 K2 C12 N4 -97.96(13) 2_666 .
O3 K2 C12 N4 -21.05(14) 2_556 .
O1 K2 C12 N4 176.50(12) . .
N3 K2 C12 N4 179.76(14) . .
C11 K2 C12 N4 -179.55(15) . .
K2 K2 C12 N4 18.23(13) 2_556 .
K1 K2 C12 N4 -70.04(12) . .
K1 K2 C12 N4 -136.46(13) 2_666 .
O2 K2 C12 Ru1 -142.00(19) . .
O3 K2 C12 Ru1 -123.43(9) . .
N5 K2 C12 Ru1 78.23(8) 2_666 .
N4 K2 C12 Ru1 176.20(19) . .
O3 K2 C12 Ru1 155.14(8) 2_556 .
O1 K2 C12 Ru1 -7.30(10) . .
N3 K2 C12 Ru1 -4.05(7) . .
C11 K2 C12 Ru1 -3.35(6) . .
K2 K2 C12 Ru1 -165.57(7) 2_556 .
K1 K2 C12 Ru1 106.15(9) . .
K1 K2 C12 Ru1 39.73(7) 2_666 .
O2 K2 C12 K1 34.4(3) . 2_566
O3 K2 C12 K1 53.02(9) . 2_566
N5 K2 C12 K1 -105.32(9) 2_666 2_566
N4 K2 C12 K1 -7.36(10) . 2_566
O3 K2 C12 K1 -28.41(10) 2_556 2_566
O1 K2 C12 K1 169.14(7) . 2_566
N3 K2 C12 K1 172.40(10) . 2_566
C11 K2 C12 K1 173.09(12) . 2_566
K2 K2 C12 K1 10.87(9) 2_556 2_566
K1 K2 C12 K1 -77.40(8) . 2_566
K1 K2 C12 K1 -143.82(9) 2_666 2_566
O2 K2 C12 K1 111.8(2) . .
O3 K2 C12 K1 130.42(5) . .
N5 K2 C12 K1 -27.92(5) 2_666 .
N4 K2 C12 K1 70.04(12) . .
O3 K2 C12 K1 48.99(5) 2_556 .
O1 K2 C12 K1 -113.46(5) . .
N3 K2 C12 K1 -110.20(5) . .
C11 K2 C12 K1 -109.51(6) . .
K2 K2 C12 K1 88.27(4) 2_556 .
K1 K2 C12 K1 -66.42(3) 2_666 .
N6 K1 C12 N4 5.59(13) 2_566 .
N5 K1 C12 N4 175.94(13) . .
N5 K1 C12 N4 94.16(13) 2_666 .
N4 K1 C12 N4 -89.89(13) 2_566 .
N3 K1 C12 N4 -178.54(13) 2_666 .
C14 K1 C12 N4 -16.75(13) 2_566 .
C13 K1 C12 N4 178.11(15) . .
C13 K1 C12 N4 100.58(13) 2_666 .
C11 K1 C12 N4 134.09(13) 2_666 .
C12 K1 C12 N4 -69.88(12) 2_566 .
N6 K1 C12 Ru1 -176.81(7) 2_566 .
N5 K1 C12 Ru1 -6.46(7) . .
N5 K1 C12 Ru1 -88.24(7) 2_666 .
N4 K1 C12 Ru1 87.71(7) 2_566 .
N3 K1 C12 Ru1 -0.94(18) 2_666 .
N4 K1 C12 Ru1 177.60(18) . .
C14 K1 C12 Ru1 160.84(7) 2_566 .
C13 K1 C12 Ru1 -4.29(6) . .
C13 K1 C12 Ru1 -81.82(8) 2_666 .
C11 K1 C12 Ru1 -48.31(13) 2_666 .
C12 K1 C12 Ru1 107.71(8) 2_566 .
N6 K1 C12 K1 75.48(5) 2_566 2_566
N5 K1 C12 K1 -114.18(5) . 2_566
N5 K1 C12 K1 164.05(5) 2_666 2_566
N4 K1 C12 K1 -20.00(5) 2_566 2_566
N3 K1 C12 K1 -108.66(13) 2_666 2_566
N4 K1 C12 K1 69.88(12) . 2_566
C14 K1 C12 K1 53.13(5) 2_566 2_566
C13 K1 C12 K1 -112.00(7) . 2_566
C13 K1 C12 K1 170.46(5) 2_666 2_566
C11 K1 C12 K1 -156.02(8) 2_666 2_566
C12 K1 C12 K1 0.0 2_566 2_566
N6 K1 C12 K2 -61.88(5) 2_566 .
N5 K1 C12 K2 108.46(5) . .
N5 K1 C12 K2 26.69(4) 2_666 .
N4 K1 C12 K2 -157.36(5) 2_566 .
N3 K1 C12 K2 113.98(12) 2_666 .
N4 K1 C12 K2 -67.47(12) . .
C14 K1 C12 K2 -84.23(5) 2_566 .
C13 K1 C12 K2 110.64(6) . .
C13 K1 C12 K2 33.10(5) 2_666 .
C11 K1 C12 K2 66.62(11) 2_666 .
C12 K1 C12 K2 -137.36(6) 2_566 .
K1 N6 C14 Ru1 16(7) 2_566 .
C13 Ru1 C14 N6 -111(7) . .
C12 Ru1 C14 N6 -23(7) . .
C11 Ru1 C14 N6 -28(8) . .
N2 Ru1 C14 N6 154(7) . .
N1 Ru1 C14 N6 77(7) . .
C13 Ru1 C14 K1 -96.09(8) . 2_566
C12 Ru1 C14 K1 -7.41(8) . 2_566
C11 Ru1 C14 K1 -12(2) . 2_566
N2 Ru1 C14 K1 168.98(7) . 2_566
N1 Ru1 C14 K1 91.94(7) . 2_566
K1 N3 C11 Ru1 -70(3) 2_666 .
K2 N3 C11 Ru1 21(3) . .
K2 N3 C11 K1 90.72(4) . 2_666
K1 N3 C11 K2 -90.72(4) 2_666 .
C13 Ru1 C11 N3 64(3) . .
C12 Ru1 C11 N3 -24(3) . .
C14 Ru1 C11 N3 -19(5) . .
N2 Ru1 C11 N3 159(3) . .
N1 Ru1 C11 N3 -124(3) . .
C13 Ru1 C11 K1 -4.67(7) . 2_666
C12 Ru1 C11 K1 -93.35(8) . 2_666
C14 Ru1 C11 K1 -88(2) . 2_666
N2 Ru1 C11 K1 90.25(7) . 2_666
N1 Ru1 C11 K1 167.23(7) . 2_666
C13 Ru1 C11 K2 84.94(7) . .
C12 Ru1 C11 K2 -3.75(7) . .
C14 Ru1 C11 K2 1(2) . .
N2 Ru1 C11 K2 179.85(6) . .
N1 Ru1 C11 K2 -103.17(6) . .
O2 K2 C11 N3 -10.57(16) . .
O3 K2 C11 N3 -109.52(13) . .
N5 K2 C11 N3 91.42(13) 2_666 .
N4 K2 C11 N3 -178.21(14) . .
O3 K2 C11 N3 137.83(13) 2_556 .
C12 K2 C11 N3 -178.04(15) . .
O1 K2 C11 N3 -1.64(13) . .
K2 K2 C11 N3 -145.27(12) 2_556 .
K1 K2 C11 N3 135.26(13) . .
K1 K2 C11 N3 72.61(13) 2_666 .
O2 K2 C11 Ru1 170.48(6) . .
O3 K2 C11 Ru1 71.54(8) . .
N5 K2 C11 Ru1 -87.53(7) 2_666 .
N4 K2 C11 Ru1 2.84(6) . .
O3 K2 C11 Ru1 -41.12(13) 2_556 .
C12 K2 C11 Ru1 3.01(6) . .
O1 K2 C11 Ru1 179.41(8) . .
N3 K2 C11 Ru1 -178.95(18) . .
K2 K2 C11 Ru1 35.78(11) 2_556 .
K1 K2 C11 Ru1 -43.68(6) . .
K1 K2 C11 Ru1 -106.34(8) 2_666 .
O2 K2 C11 K1 -83.18(7) . 2_666
O3 K2 C11 K1 177.87(5) . 2_666
N5 K2 C11 K1 18.81(5) 2_666 2_666
N4 K2 C11 K1 109.18(5) . 2_666
O3 K2 C11 K1 65.22(10) 2_556 2_666
C12 K2 C11 K1 109.35(6) . 2_666
O1 K2 C11 K1 -74.25(5) . 2_666
N3 K2 C11 K1 -72.61(13) . 2_666
K2 K2 C11 K1 142.12(5) 2_556 2_666
K1 K2 C11 K1 62.65(3) . 2_666
C13 Ru1 N1 C1 156.4(4) . .
C12 Ru1 N1 C1 -6.78(17) . .
C14 Ru1 N1 C1 -95.59(16) . .
C11 Ru1 N1 C1 82.77(16) . .
N2 Ru1 N1 C1 177.49(17) . .
C13 Ru1 N1 C5 -18.2(5) . .
C12 Ru1 N1 C5 178.60(13) . .
C14 Ru1 N1 C5 89.80(13) . .
C11 Ru1 N1 C5 -91.85(14) . .
N2 Ru1 N1 C5 2.88(12) . .
C10 N2 C6 C7 0.4(3) . .
Ru1 N2 C6 C7 174.30(14) . .
C10 N2 C6 C5 -178.88(16) . .
Ru1 N2 C6 C5 -5.0(2) . .
C1 N1 C5 C4 -1.4(3) . .
Ru1 N1 C5 C4 173.64(14) . .
C1 N1 C5 C6 178.63(17) . .
Ru1 N1 C5 C6 -6.3(2) . .
C3 C4 C5 N1 0.6(3) . .
C3 C4 C5 C6 -179.43(18) . .
N2 C6 C5 N1 7.5(2) . .
C7 C6 C5 N1 -171.77(17) . .
N2 C6 C5 C4 -172.47(17) . .
C7 C6 C5 C4 8.3(3) . .
C5 C4 C3 C2 0.6(3) . .
C6 N2 C10 C9 -0.6(3) . .
Ru1 N2 C10 C9 -173.96(15) . .
C8 C9 C10 N2 0.2(3) . .
C4 C3 C2 C1 -0.9(3) . .
C5 N1 C1 C2 1.0(3) . .
Ru1 N1 C1 C2 -173.43(15) . .
C3 C2 C1 N1 0.1(3) . .
N2 C6 C7 C8 0.2(3) . .
C5 C6 C7 C8 179.42(17) . .
C6 C7 C8 C9 -0.6(3) . .
C10 C9 C8 C7 0.4(3) . .
