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#$Date: 2016-03-21 19:10:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178838 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/92/4109248.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_4109248
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 H12 Cs2 N6 O2 Ru'
_chemical_formula_weight         663.19
_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                104.580(4)
_cell_angle_beta                 95.632(4)
_cell_angle_gamma                103.688(4)
_cell_formula_units_Z            2
_cell_length_a                   8.5260(8)
_cell_length_b                   8.7736(8)
_cell_length_c                   13.8864(14)
_cell_measurement_reflns_used    8689
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      55.121
_cell_measurement_theta_min      4.984
_cell_volume                     962.92(16)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0130
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23274
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    4.559
_exptl_absorpt_correction_T_max  0.7715
_exptl_absorpt_correction_T_min  0.4625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.287
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.391
_refine_diff_density_min         -2.464
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0194
_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)+(0.0146P)²+2.4438P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0449
_refine_ls_wR_factor_ref         0.0456
_reflns_number_gt                4232
_reflns_number_total             4411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja068436nsi20070122_062933_2.cif
_cod_data_source_block           imw732
_cod_database_code               4109248
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
Ru1 Ru 0.20726(2) 0.43478(2) 0.252569(14) 0.01398(5) Uani 1 1 d .
Cs1 Cs 0.26117(2) 0.98527(2) 0.447505(16) 0.03324(6) Uani 1 1 d .
Cs2 Cs 0.26725(2) 0.54967(2) 0.594046(12) 0.02180(5) Uani 1 1 d .
O1W O -0.1786(3) 0.9229(3) 0.3116(3) 0.0854(14) Uani 1 1 d .
H1WA H -0.1299 0.8332 0.3006 0.103 Uiso 1 1 d R
H1WB H -0.0906 1.0215 0.3357 0.103 Uiso 1 1 d R
O2W O 0.5652(3) 1.0478(3) 0.34694(17) 0.0344(5) Uani 1 1 d .
H2WA H 0.5261 1.0867 0.2930 0.041 Uiso 1 1 d R
H2WB H 0.6541 1.0018 0.3305 0.041 Uiso 1 1 d R
N1 N 0.0493(3) 0.2913(3) 0.11547(16) 0.0167(4) Uani 1 1 d .
N2 N 0.3060(3) 0.5462(3) 0.14520(16) 0.0173(4) Uani 1 1 d .
N3 N 0.4491(3) 0.2051(3) 0.21487(19) 0.0269(5) Uani 1 1 d .
N4 N 0.0418(3) 0.2385(3) 0.39515(18) 0.0250(5) Uani 1 1 d .
N5 N 0.4747(3) 0.6809(3) 0.43225(17) 0.0240(5) Uani 1 1 d .
N6 N -0.0283(3) 0.6699(3) 0.29316(18) 0.0236(5) Uani 1 1 d .
C1 C -0.0822(3) 0.1641(3) 0.1047(2) 0.0225(5) Uani 1 1 d .
H1 H -0.1115 0.1347 0.1631 0.027 Uiso 1 1 calc R
C2 C -0.1764(4) 0.0745(3) 0.0116(2) 0.0274(6) Uani 1 1 d .
H2 H -0.2688 -0.0141 0.0066 0.033 Uiso 1 1 calc R
C3 C -0.1342(4) 0.1156(4) -0.0742(2) 0.0273(6) Uani 1 1 d .
H3 H -0.1959 0.0543 -0.1388 0.033 Uiso 1 1 calc R
C4 C -0.0010(3) 0.2470(3) -0.0643(2) 0.0228(5) Uani 1 1 d .
H4 H 0.0290 0.2780 -0.1221 0.027 Uiso 1 1 calc R
C5 C 0.0889(3) 0.3337(3) 0.03116(19) 0.0169(5) Uani 1 1 d .
C6 C 0.2310(3) 0.4769(3) 0.04770(19) 0.0171(5) Uani 1 1 d .
C7 C 0.2860(3) 0.5390(3) -0.0299(2) 0.0232(5) Uani 1 1 d .
H7 H 0.2316 0.4888 -0.0977 0.028 Uiso 1 1 calc R
C8 C 0.4203(4) 0.6742(4) -0.0074(2) 0.0281(6) Uani 1 1 d .
H8 H 0.4592 0.7184 -0.0592 0.034 Uiso 1 1 calc R
C9 C 0.4972(4) 0.7439(4) 0.0924(2) 0.0292(6) Uani 1 1 d .
H9 H 0.5900 0.8363 0.1099 0.035 Uiso 1 1 calc R
C10 C 0.4370(3) 0.6771(3) 0.1659(2) 0.0236(5) Uani 1 1 d .
H10 H 0.4903 0.7256 0.2340 0.028 Uiso 1 1 calc R
C11 C 0.3598(3) 0.2863(3) 0.22821(19) 0.0189(5) Uani 1 1 d .
C12 C 0.1029(3) 0.3114(3) 0.34267(19) 0.0176(5) Uani 1 1 d .
C13 C 0.3736(3) 0.5882(3) 0.36812(19) 0.0171(5) Uani 1 1 d .
C14 C 0.0573(3) 0.5850(3) 0.27833(18) 0.0177(5) 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'
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'
Cs Cs -0.3680 2.1192 '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 Ru1 C12 91.25(10) . .
C13 Ru1 C14 90.04(10) . .
C12 Ru1 C14 90.29(10) . .
C13 Ru1 C11 89.24(10) . .
C12 Ru1 C11 89.75(10) . .
C14 Ru1 C11 179.28(10) . .
C13 Ru1 N2 93.99(9) . .
C12 Ru1 N2 174.52(9) . .
C14 Ru1 N2 91.31(9) . .
C11 Ru1 N2 88.72(9) . .
C13 Ru1 N1 171.23(9) . .
C12 Ru1 N1 97.51(9) . .
C14 Ru1 N1 90.34(9) . .
C11 Ru1 N1 90.37(9) . .
N2 Ru1 N1 77.24(8) . .
O2W Cs1 N5 67.65(6) . 2_676
O2W Cs1 O2W 97.88(6) . 2_676
N5 Cs1 O2W 69.73(6) 2_676 2_676
O2W Cs1 N6 109.31(6) . .
N5 Cs1 N6 170.19(6) 2_676 .
O2W Cs1 N6 120.08(6) 2_676 .
O2W Cs1 N4 106.35(6) . 1_565
N5 Cs1 N4 83.26(6) 2_676 1_565
O2W Cs1 N4 133.23(6) 2_676 1_565
N6 Cs1 N4 88.88(6) . 1_565
O2W Cs1 O1W 136.30(6) . 2_576
N5 Cs1 O1W 74.04(6) 2_676 2_576
O2W Cs1 O1W 47.99(6) 2_676 2_576
N6 Cs1 O1W 111.77(6) . 2_576
N4 Cs1 O1W 88.81(6) 1_565 2_576
O2W Cs1 N5 66.44(6) . .
N5 Cs1 N5 104.83(5) 2_676 .
O2W Cs1 N5 61.84(5) 2_676 .
N6 Cs1 N5 81.60(6) . .
N4 Cs1 N5 164.92(6) 1_565 .
O1W Cs1 N5 105.55(6) 2_576 .
O2W Cs1 C14 96.87(6) . .
N5 Cs1 C14 163.98(6) 2_676 .
O2W Cs1 C14 110.12(6) 2_676 .
N6 Cs1 C14 18.63(6) . .
N4 Cs1 C14 105.99(6) 1_565 .
O1W Cs1 C14 118.41(6) 2_576 .
N5 Cs1 C14 63.36(6) . .
O2W Cs1 C13 72.50(6) . .
N5 Cs1 C13 121.97(6) 2_676 .
O2W Cs1 C13 76.11(5) 2_676 .
N6 Cs1 C13 63.84(6) . .
N4 Cs1 C13 149.17(6) 1_565 .
O1W Cs1 C13 113.69(6) 2_576 .
N5 Cs1 C13 18.01(5) . .
C14 Cs1 C13 45.44(6) . .
O2W Cs1 Cs1 50.32(4) . 2_676
N5 Cs1 Cs1 56.46(4) 2_676 2_676
O2W Cs1 Cs1 47.56(4) 2_676 2_676
N6 Cs1 Cs1 129.48(4) . 2_676
N4 Cs1 Cs1 137.89(4) 1_565 2_676
O1W Cs1 Cs1 91.07(5) 2_576 2_676
N5 Cs1 Cs1 48.36(4) . 2_676
C14 Cs1 Cs1 110.88(4) . 2_676
C13 Cs1 Cs1 65.75(4) . 2_676
O2W Cs1 Cs2 108.36(4) . .
N5 Cs1 Cs2 113.43(4) 2_676 .
O2W Cs1 Cs2 44.22(4) 2_676 .
N6 Cs1 Cs2 76.35(4) . .
N4 Cs1 Cs2 145.09(4) 1_565 .
O1W Cs1 Cs2 68.53(5) 2_576 .
N5 Cs1 Cs2 43.11(4) . .
C14 Cs1 Cs2 66.29(4) . .
C13 Cs1 Cs2 45.47(4) . .
Cs1 Cs1 Cs2 71.209(7) 2_676 .
O2W Cs1 Cs2 98.07(4) . 1_565
N5 Cs1 Cs2 42.78(4) 2_676 1_565
O2W Cs1 Cs2 93.72(4) 2_676 1_565
N6 Cs1 Cs2 131.45(4) . 1_565
N4 Cs1 Cs2 44.32(4) 1_565 1_565
O1W Cs1 Cs2 64.56(5) 2_576 1_565
N5 Cs1 Cs2 146.91(4) . 1_565
C14 Cs1 Cs2 149.72(4) . 1_565
C13 Cs1 Cs2 164.67(4) . 1_565
Cs1 Cs1 Cs2 98.917(8) 2_676 1_565
Cs2 Cs1 Cs2 131.813(8) . 1_565
O2W Cs1 H1WB 118.6 . .
N5 Cs1 H1WB 115.9 2_676 .
O2W Cs1 H1WB 142.8 2_676 .
N6 Cs1 H1WB 56.6 . .
N4 Cs1 H1WB 32.6 1_565 .
O1W Cs1 H1WB 96.4 2_576 .
N5 Cs1 H1WB 137.8 . .
C14 Cs1 H1WB 74.5 . .
C13 Cs1 H1WB 119.8 . .
Cs1 Cs1 H1WB 167.3 2_676 .
Cs2 Cs1 H1WB 121.2 . .
Cs2 Cs1 H1WB 75.2 1_565 .
O2W Cs1 H2WA 16.2 . .
N5 Cs1 H2WA 71.7 2_676 .
O2W Cs1 H2WA 113.5 2_676 .
N6 Cs1 H2WA 102.8 . .
N4 Cs1 H2WA 91.8 1_565 .
O1W Cs1 H2WA 145.4 2_576 .
N5 Cs1 H2WA 79.1 . .
C14 Cs1 H2WA 94.6 . .
C13 Cs1 H2WA 81.4 . .
Cs1 Cs1 H2WA 66.1 2_676 .
Cs2 Cs1 H2WA 122.1 . .
Cs2 Cs1 H2WA 92.5 1_565 .
H1WB Cs1 H2WA 102.5 . .
N6 Cs2 N5 164.87(6) 2_566 .
N6 Cs2 N3 101.68(6) 2_566 2_666
N5 Cs2 N3 91.31(6) . 2_666
N6 Cs2 N5 94.90(6) 2_566 2_666
N5 Cs2 N5 78.56(7) . 2_666
N3 Cs2 N5 84.24(6) 2_666 2_666
N6 Cs2 O2W 131.04(6) 2_566 2_676
N5 Cs2 O2W 63.67(6) . 2_676
N3 Cs2 O2W 49.80(6) 2_666 2_676
N5 Cs2 O2W 116.01(6) 2_666 2_676
N6 Cs2 N4 78.82(6) 2_566 .
N5 Cs2 N4 86.67(6) . .
N3 Cs2 N4 165.62(6) 2_666 .
N5 Cs2 N4 81.40(6) 2_666 .
O2W Cs2 N4 139.37(6) 2_676 .
N6 Cs2 C13 146.13(6) 2_566 .
N5 Cs2 C13 19.82(6) . .
N3 Cs2 C13 111.12(6) 2_666 .
N5 Cs2 C13 80.57(6) 2_666 .
O2W Cs2 C13 79.23(6) 2_676 .
N4 Cs2 C13 67.31(6) . .
N6 Cs2 C12 97.90(6) 2_566 .
N5 Cs2 C12 67.87(6) . .
N3 Cs2 C12 157.06(6) 2_666 .
N5 Cs2 C12 82.28(6) 2_666 .
O2W Cs2 C12 121.93(6) 2_676 .
N4 Cs2 C12 19.26(6) . .
C13 Cs2 C12 48.27(6) . .
N6 Cs2 C14 18.88(6) 2_566 2_566
N5 Cs2 C14 162.96(6) . 2_566
N3 Cs2 C14 101.36(6) 2_666 2_566
N5 Cs2 C14 113.74(6) 2_666 2_566
O2W Cs2 C14 116.64(6) 2_676 2_566
N4 Cs2 C14 83.78(6) . 2_566
C13 Cs2 C14 145.88(6) . 2_566
C12 Cs2 C14 101.04(6) . 2_566
N6 Cs2 N4 82.60(6) 2_566 2_566
N5 Cs2 N4 102.53(6) . 2_566
N3 Cs2 N4 101.61(6) 2_666 2_566
N5 Cs2 N4 173.97(6) 2_666 2_566
O2W Cs2 N4 69.43(6) 2_676 2_566
N4 Cs2 N4 92.72(6) . 2_566
C13 Cs2 N4 98.44(6) . 2_566
C12 Cs2 N4 92.61(6) . 2_566
C14 Cs2 N4 63.99(6) 2_566 2_566
N6 Cs2 C11 102.94(6) 2_566 2_666
N5 Cs2 C11 86.85(6) . 2_666
N3 Cs2 C11 18.85(6) 2_666 2_666
N5 Cs2 C11 65.40(6) 2_666 2_666
O2W Cs2 C11 62.99(6) 2_676 2_666
N4 Cs2 C11 146.80(6) . 2_666
C13 Cs2 C11 105.39(6) . 2_666
C12 Cs2 C11 142.58(6) . 2_666
C14 Cs2 C11 108.73(6) 2_566 2_666
N4 Cs2 C11 120.47(6) 2_566 2_666
N6 Cs2 C13 99.39(6) 2_566 2_666
N5 Cs2 C13 78.84(6) . 2_666
N3 Cs2 C13 65.44(6) 2_666 2_666
N5 Cs2 C13 18.84(6) 2_666 2_666
O2W Cs2 C13 100.38(6) 2_676 2_666
N4 Cs2 C13 100.22(6) . 2_666
C13 Cs2 C13 87.06(6) . 2_666
C12 Cs2 C13 99.74(6) . 2_666
C14 Cs2 C13 116.73(6) 2_566 2_666
N4 Cs2 C13 167.05(6) 2_566 2_666
C11 Cs2 C13 46.58(6) 2_666 2_666
Cs1 O1W H1WA 109.6 2_576 .
Cs1 O1W H1WB 85.2 2_576 .
H1WA O1W H1WB 106.9 . .
Cs1 O2W Cs1 82.12(6) . 2_676
Cs1 O2W Cs2 108.62(6) . 2_676
Cs1 O2W Cs2 93.81(6) 2_676 2_676
Cs1 O2W H2WA 101.2 . .
Cs1 O2W H2WA 165.5 2_676 .
Cs2 O2W H2WA 71.7 2_676 .
Cs1 O2W H2WB 140.2 . .
Cs1 O2W H2WB 73.4 2_676 .
Cs2 O2W H2WB 104.0 2_676 .
H2WA O2W H2WB 110.4 . .
C1 N1 C5 118.2(2) . .
C1 N1 Ru1 126.42(18) . .
C5 N1 Ru1 115.36(16) . .
C10 N2 C6 118.3(2) . .
C10 N2 Ru1 125.30(18) . .
C6 N2 Ru1 116.42(17) . .
C11 N3 Cs2 93.89(18) . 2_666
C12 N4 Cs2 87.70(17) . .
C12 N4 Cs1 110.96(19) . 1_545
Cs2 N4 Cs1 91.30(6) . 1_545
C12 N4 Cs2 90.02(18) . 2_566
Cs2 N4 Cs2 87.28(6) . 2_566
Cs1 N4 Cs2 158.90(8) 1_545 2_566
C13 N5 Cs1 158.7(2) . 2_676
C13 N5 Cs2 88.15(18) . .
Cs1 N5 Cs2 107.66(7) 2_676 .
C13 N5 Cs2 94.21(18) . 2_666
Cs1 N5 Cs2 96.48(6) 2_676 2_666
Cs2 N5 Cs2 101.44(7) . 2_666
C13 N5 Cs1 91.32(18) . .
Cs1 N5 Cs1 75.17(5) 2_676 .
Cs2 N5 Cs1 88.84(6) . .
Cs2 N5 Cs1 168.45(8) 2_666 .
C14 N6 Cs2 95.49(18) . 2_566
C14 N6 Cs1 94.50(18) . .
Cs2 N6 Cs1 114.79(7) 2_566 .
N1 C1 C2 122.5(3) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C3 C2 C1 119.2(3) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C4 C3 C2 119.0(3) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C3 C4 C5 119.5(3) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
N1 C5 C4 121.5(2) . .
N1 C5 C6 115.9(2) . .
C4 C5 C6 122.5(2) . .
N2 C6 C7 121.6(2) . .
N2 C6 C5 115.0(2) . .
C7 C6 C5 123.4(2) . .
C8 C7 C6 119.5(3) . .
C8 C7 H7 120.2 . .
C6 C7 H7 120.2 . .
C7 C8 C9 118.6(3) . .
C7 C8 H8 120.7 . .
C9 C8 H8 120.7 . .
C10 C9 C8 119.2(3) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
N2 C10 C9 122.8(3) . .
N2 C10 H10 118.6 . .
C9 C10 H10 118.6 . .
N3 C11 Ru1 178.5(2) . .
N3 C11 Cs2 67.26(17) . 2_666
Ru1 C11 Cs2 111.59(9) . 2_666
N4 C12 Ru1 179.7(2) . .
N4 C12 Cs2 73.04(16) . .
Ru1 C12 Cs2 107.18(9) . .
N4 C12 Cs2 71.83(17) . 2_566
Ru1 C12 Cs2 108.38(9) . 2_566
Cs2 C12 Cs2 82.29(5) . 2_566
N5 C13 Ru1 176.7(2) . .
N5 C13 Cs2 72.03(17) . .
Ru1 C13 Cs2 111.28(10) . .
N5 C13 Cs2 66.94(17) . 2_666
Ru1 C13 Cs2 112.59(9) . 2_666
Cs2 C13 Cs2 92.94(6) . 2_666
N5 C13 Cs1 70.67(17) . .
Ru1 C13 Cs1 109.14(9) . .
Cs2 C13 Cs1 83.05(5) . .
Cs2 C13 Cs1 136.48(7) 2_666 .
N6 C14 Ru1 179.7(2) . .
N6 C14 Cs2 65.62(16) . 2_566
Ru1 C14 Cs2 114.09(9) . 2_566
N6 C14 Cs1 66.86(16) . .
Ru1 C14 Cs1 113.26(9) . .
Cs2 C14 Cs1 101.42(6) 2_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C13 1.990(3) .
Ru1 C12 1.994(3) .
Ru1 C14 2.037(3) .
Ru1 C11 2.042(3) .
Ru1 N2 2.116(2) .
Ru1 N1 2.124(2) .
Cs1 O2W 3.065(2) .
Cs1 N5 3.180(2) 2_676
Cs1 O2W 3.196(2) 2_676
Cs1 N6 3.330(2) .
Cs1 N4 3.387(2) 1_565
Cs1 O1W 3.422(5) 2_576
Cs1 N5 3.547(2) .
Cs1 C14 3.610(2) .
Cs1 C13 3.758(2) .
Cs1 Cs1 4.1139(5) 2_676
Cs1 Cs2 4.7684(5) .
Cs1 Cs2 4.8424(5) 1_565
Cs1 H1WB 3.3602 .
Cs1 H2WA 3.3850 .
Cs2 N6 3.256(2) 2_566
Cs2 N5 3.259(2) .
Cs2 N3 3.305(2) 2_666
Cs2 N5 3.310(2) 2_666
Cs2 O2W 3.333(2) 2_676
Cs2 N4 3.384(2) .
Cs2 C13 3.425(2) .
Cs2 C12 3.535(2) .
Cs2 C14 3.558(3) 2_566
Cs2 N4 3.560(3) 2_566
Cs2 C11 3.575(3) 2_666
Cs2 C13 3.588(3) 2_666
O1W Cs1 3.422(5) 2_576
O1W H1WA 0.9599 .
O1W H1WB 0.9600 .
O2W Cs1 3.196(2) 2_676
O2W Cs2 3.333(2) 2_676
O2W H2WA 0.9600 .
O2W H2WB 0.9600 .
N1 C1 1.348(3) .
N1 C5 1.364(3) .
N2 C10 1.346(3) .
N2 C6 1.358(3) .
N3 C11 1.158(4) .
N3 Cs2 3.305(2) 2_666
N4 C12 1.167(4) .
N4 Cs1 3.387(2) 1_545
N4 Cs2 3.560(3) 2_566
N5 C13 1.162(3) .
N5 Cs1 3.180(2) 2_676
N5 Cs2 3.310(2) 2_666
N6 C14 1.157(4) .
N6 Cs2 3.256(2) 2_566
C1 C2 1.386(4) .
C1 H1 0.9500 .
C2 C3 1.384(4) .
C2 H2 0.9500 .
C3 C4 1.381(4) .
C3 H3 0.9500 .
C4 C5 1.393(4) .
C4 H4 0.9500 .
C5 C6 1.476(4) .
C6 C7 1.398(4) .
C7 C8 1.384(4) .
C7 H7 0.9500 .
C8 C9 1.389(4) .
C8 H8 0.9500 .
C9 C10 1.383(4) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 Cs2 3.575(3) 2_666
C12 Cs2 3.747(3) 2_566
C13 Cs2 3.588(3) 2_666
C14 Cs2 3.558(3) 2_566
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
N5 Cs1 O2W Cs1 64.21(6) 2_676 2_676
O2W Cs1 O2W Cs1 0.0 2_676 2_676
N6 Cs1 O2W Cs1 -125.78(5) . 2_676
N4 Cs1 O2W Cs1 139.57(5) 1_565 2_676
O1W Cs1 O2W Cs1 33.57(10) 2_576 2_676
N5 Cs1 O2W Cs1 -54.54(5) . 2_676
C14 Cs1 O2W Cs1 -111.50(5) . 2_676
C13 Cs1 O2W Cs1 -72.67(5) . 2_676
Cs2 Cs1 O2W Cs1 -44.24(5) . 2_676
Cs2 Cs1 O2W Cs1 94.92(3) 1_565 2_676
N5 Cs1 O2W Cs2 -27.17(6) 2_676 2_676
O2W Cs1 O2W Cs2 -91.38(7) 2_676 2_676
N6 Cs1 O2W Cs2 142.84(6) . 2_676
N4 Cs1 O2W Cs2 48.19(8) 1_565 2_676
O1W Cs1 O2W Cs2 -57.81(11) 2_576 2_676
N5 Cs1 O2W Cs2 -145.93(8) . 2_676
C14 Cs1 O2W Cs2 157.12(6) . 2_676
C13 Cs1 O2W Cs2 -164.06(8) . 2_676
Cs1 Cs1 O2W Cs2 -91.38(7) 2_676 2_676
Cs2 Cs1 O2W Cs2 -135.63(5) . 2_676
Cs2 Cs1 O2W Cs2 3.54(6) 1_565 2_676
C13 Ru1 N1 C1 -179.8(5) . .
C12 Ru1 N1 C1 3.0(2) . .
C14 Ru1 N1 C1 -87.3(2) . .
C11 Ru1 N1 C1 92.8(2) . .
N2 Ru1 N1 C1 -178.6(2) . .
C13 Ru1 N1 C5 1.0(7) . .
C12 Ru1 N1 C5 -176.26(18) . .
C14 Ru1 N1 C5 93.40(18) . .
C11 Ru1 N1 C5 -86.47(18) . .
N2 Ru1 N1 C5 2.14(17) . .
C13 Ru1 N2 C10 -0.7(2) . .
C12 Ru1 N2 C10 -163.6(9) . .
C14 Ru1 N2 C10 89.4(2) . .
C11 Ru1 N2 C10 -89.8(2) . .
N1 Ru1 N2 C10 179.5(2) . .
C13 Ru1 N2 C6 178.30(19) . .
C12 Ru1 N2 C6 15.4(11) . .
C14 Ru1 N2 C6 -91.57(19) . .
C11 Ru1 N2 C6 89.15(19) . .
N1 Ru1 N2 C6 -1.52(18) . .
N6 Cs2 N4 C12 172.03(19) 2_566 .
N5 Cs2 N4 C12 -12.27(18) . .
N3 Cs2 N4 C12 -94.5(3) 2_666 .
N5 Cs2 N4 C12 -91.19(18) 2_666 .
O2W Cs2 N4 C12 29.1(2) 2_676 .
C13 Cs2 N4 C12 -7.88(17) . .
C14 Cs2 N4 C12 153.59(18) 2_566 .
N4 Cs2 N4 C12 90.13(18) 2_566 .
C11 Cs2 N4 C12 -91.4(2) 2_666 .
C13 Cs2 N4 C12 -90.30(18) 2_666 .
N6 Cs2 N4 Cs1 -77.03(6) 2_566 1_545
N5 Cs2 N4 Cs1 98.66(6) . 1_545
N3 Cs2 N4 Cs1 16.4(3) 2_666 1_545
N5 Cs2 N4 Cs1 19.74(6) 2_666 1_545
O2W Cs2 N4 Cs1 140.07(7) 2_676 1_545
C13 Cs2 N4 Cs1 103.05(7) . 1_545
C12 Cs2 N4 Cs1 110.93(19) . 1_545
C14 Cs2 N4 Cs1 -95.48(6) 2_566 1_545
N4 Cs2 N4 Cs1 -158.94(8) 2_566 1_545
C11 Cs2 N4 Cs1 19.57(13) 2_666 1_545
C13 Cs2 N4 Cs1 20.63(6) 2_666 1_545
N6 Cs2 N4 Cs2 81.90(6) 2_566 2_566
N5 Cs2 N4 Cs2 -102.41(6) . 2_566
N3 Cs2 N4 Cs2 175.3(2) 2_666 2_566
N5 Cs2 N4 Cs2 178.67(6) 2_666 2_566
O2W Cs2 N4 Cs2 -61.00(10) 2_676 2_566
C13 Cs2 N4 Cs2 -98.01(6) . 2_566
C12 Cs2 N4 Cs2 -90.13(18) . 2_566
C14 Cs2 N4 Cs2 63.46(5) 2_566 2_566
N4 Cs2 N4 Cs2 0.0 2_566 2_566
C11 Cs2 N4 Cs2 178.51(8) 2_666 2_566
C13 Cs2 N4 Cs2 179.57(5) 2_666 2_566
N6 Cs2 N5 C13 28.4(3) 2_566 .
N3 Cs2 N5 C13 177.78(17) 2_666 .
N5 Cs2 N5 C13 93.93(18) 2_666 .
O2W Cs2 N5 C13 -139.24(19) 2_676 .
N4 Cs2 N5 C13 12.04(17) . .
C12 Cs2 N5 C13 7.69(17) . .
C14 Cs2 N5 C13 -43.9(3) 2_566 .
N4 Cs2 N5 C13 -80.02(18) 2_566 .
C11 Cs2 N5 C13 159.46(18) 2_666 .
C13 Cs2 N5 C13 113.14(17) 2_666 .
N6 Cs2 N5 Cs1 -166.17(19) 2_566 2_676
N3 Cs2 N5 Cs1 -16.82(7) 2_666 2_676
N5 Cs2 N5 Cs1 -100.68(8) 2_666 2_676
O2W Cs2 N5 Cs1 26.15(6) 2_676 2_676
N4 Cs2 N5 Cs1 177.43(7) . 2_676
C13 Cs2 N5 Cs1 165.4(2) . 2_676
C12 Cs2 N5 Cs1 173.09(9) . 2_676
C14 Cs2 N5 Cs1 121.49(18) 2_566 2_676
N4 Cs2 N5 Cs1 85.38(7) 2_566 2_676
C11 Cs2 N5 Cs1 -35.15(7) 2_666 2_676
C13 Cs2 N5 Cs1 -81.46(7) 2_666 2_676
N6 Cs2 N5 Cs2 -65.5(2) 2_566 2_666
N3 Cs2 N5 Cs2 83.86(6) 2_666 2_666
N5 Cs2 N5 Cs2 0.0 2_666 2_666
O2W Cs2 N5 Cs2 126.83(8) 2_676 2_666
N4 Cs2 N5 Cs2 -81.89(6) . 2_666
C13 Cs2 N5 Cs2 -93.93(18) . 2_666
C12 Cs2 N5 Cs2 -86.23(7) . 2_666
C14 Cs2 N5 Cs2 -137.84(18) 2_566 2_666
N4 Cs2 N5 Cs2 -173.94(6) 2_566 2_666
C11 Cs2 N5 Cs2 65.53(6) 2_666 2_666
C13 Cs2 N5 Cs2 19.22(6) 2_666 2_666
N6 Cs2 N5 Cs1 119.8(2) 2_566 .
N3 Cs2 N5 Cs1 -90.86(6) 2_666 .
N5 Cs2 N5 Cs1 -174.72(8) 2_666 .
O2W Cs2 N5 Cs1 -47.89(5) 2_676 .
N4 Cs2 N5 Cs1 103.39(6) . .
C13 Cs2 N5 Cs1 91.36(18) . .
C12 Cs2 N5 Cs1 99.05(6) . .
C14 Cs2 N5 Cs1 47.4(2) 2_566 .
N4 Cs2 N5 Cs1 11.34(6) 2_566 .
C11 Cs2 N5 Cs1 -109.19(6) 2_666 .
C13 Cs2 N5 Cs1 -155.50(6) 2_666 .
O2W Cs1 N5 C13 -106.26(18) . .
N5 Cs1 N5 C13 -163.3(2) 2_676 .
O2W Cs1 N5 C13 139.98(19) 2_676 .
N6 Cs1 N5 C13 9.16(18) . .
N4 Cs1 N5 C13 -42.2(3) 1_565 .
O1W Cs1 N5 C13 119.53(18) 2_576 .
C14 Cs1 N5 C13 5.14(17) . .
Cs1 Cs1 N5 C13 -163.3(2) 2_676 .
Cs2 Cs1 N5 C13 88.12(18) . .
Cs2 Cs1 N5 C13 -173.40(14) 1_565 .
O2W Cs1 N5 Cs1 57.01(5) . 2_676
N5 Cs1 N5 Cs1 0.0 2_676 2_676
O2W Cs1 N5 Cs1 -56.75(6) 2_676 2_676
N6 Cs1 N5 Cs1 172.42(6) . 2_676
N4 Cs1 N5 Cs1 121.0(2) 1_565 2_676
O1W Cs1 N5 Cs1 -77.20(6) 2_576 2_676
C14 Cs1 N5 Cs1 168.41(7) . 2_676
C13 Cs1 N5 Cs1 163.3(2) . 2_676
Cs2 Cs1 N5 Cs1 -108.61(6) . 2_676
Cs2 Cs1 N5 Cs1 -10.13(9) 1_565 2_676
O2W Cs1 N5 Cs2 165.62(7) . .
N5 Cs1 N5 Cs2 108.61(6) 2_676 .
O2W Cs1 N5 Cs2 51.86(6) 2_676 .
N6 Cs1 N5 Cs2 -78.96(6) . .
N4 Cs1 N5 Cs2 -130.3(2) 1_565 .
O1W Cs1 N5 Cs2 31.41(7) 2_576 .
C14 Cs1 N5 Cs2 -82.98(6) . .
C13 Cs1 N5 Cs2 -88.12(18) . .
Cs1 Cs1 N5 Cs2 108.61(6) 2_676 .
Cs2 Cs1 N5 Cs2 98.48(7) 1_565 .
O2W Cs1 N5 Cs2 12.4(4) . 2_666
N5 Cs1 N5 Cs2 -44.6(4) 2_676 2_666
O2W Cs1 N5 Cs2 -101.3(4) 2_676 2_666
N6 Cs1 N5 Cs2 127.8(4) . 2_666
N4 Cs1 N5 Cs2 76.5(5) 1_565 2_666
O1W Cs1 N5 Cs2 -121.8(4) 2_576 2_666
C14 Cs1 N5 Cs2 123.8(4) . 2_666
C13 Cs1 N5 Cs2 118.7(5) . 2_666
Cs1 Cs1 N5 Cs2 -44.6(4) 2_676 2_666
Cs2 Cs1 N5 Cs2 -153.2(4) . 2_666
Cs2 Cs1 N5 Cs2 -54.7(4) 1_565 2_666
O2W Cs1 N6 C14 50.03(19) . .
N5 Cs1 N6 C14 120.3(3) 2_676 .
O2W Cs1 N6 C14 -61.74(19) 2_676 .
N4 Cs1 N6 C14 156.97(18) 1_565 .
O1W Cs1 N6 C14 -114.76(18) 2_576 .
N5 Cs1 N6 C14 -11.29(17) . .
C13 Cs1 N6 C14 -8.15(16) . .
Cs1 Cs1 N6 C14 -4.0(2) 2_676 .
Cs2 Cs1 N6 C14 -54.94(17) . .
Cs2 Cs1 N6 C14 170.57(15) 1_565 .
O2W Cs1 N6 Cs2 148.20(7) . 2_566
N5 Cs1 N6 Cs2 -141.5(3) 2_676 2_566
O2W Cs1 N6 Cs2 36.44(10) 2_676 2_566
N4 Cs1 N6 Cs2 -104.85(8) 1_565 2_566
O1W Cs1 N6 Cs2 -16.59(10) 2_576 2_566
N5 Cs1 N6 Cs2 86.88(8) . 2_566
C14 Cs1 N6 Cs2 98.17(19) . 2_566
C13 Cs1 N6 Cs2 90.02(8) . 2_566
Cs1 Cs1 N6 Cs2 94.21(7) 2_676 2_566
Cs2 Cs1 N6 Cs2 43.23(6) . 2_566
Cs2 Cs1 N6 Cs2 -91.26(7) 1_565 2_566
C5 N1 C1 C2 0.9(4) . .
Ru1 N1 C1 C2 -178.4(2) . .
N1 C1 C2 C3 0.4(5) . .
C1 C2 C3 C4 -1.3(4) . .
C2 C3 C4 C5 0.8(4) . .
C1 N1 C5 C4 -1.3(4) . .
Ru1 N1 C5 C4 178.01(19) . .
C1 N1 C5 C6 178.2(2) . .
Ru1 N1 C5 C6 -2.5(3) . .
C3 C4 C5 N1 0.5(4) . .
C3 C4 C5 C6 -179.0(3) . .
C10 N2 C6 C7 -0.5(4) . .
Ru1 N2 C6 C7 -179.52(19) . .
C10 N2 C6 C5 179.8(2) . .
Ru1 N2 C6 C5 0.7(3) . .
N1 C5 C6 N2 1.2(3) . .
C4 C5 C6 N2 -179.3(2) . .
N1 C5 C6 C7 -178.6(2) . .
C4 C5 C6 C7 0.9(4) . .
N2 C6 C7 C8 0.1(4) . .
C5 C6 C7 C8 179.9(3) . .
C6 C7 C8 C9 0.3(4) . .
C7 C8 C9 C10 -0.4(5) . .
C6 N2 C10 C9 0.4(4) . .
Ru1 N2 C10 C9 179.3(2) . .
C8 C9 C10 N2 0.0(5) . .
Cs2 N3 C11 Ru1 40(9) 2_666 .
C13 Ru1 C11 N3 -39(9) . .
C12 Ru1 C11 N3 -131(9) . .
C14 Ru1 C11 N3 -38(15) . .
N2 Ru1 C11 N3 55(9) . .
N1 Ru1 C11 N3 132(9) . .
C13 Ru1 C11 Cs2 -0.04(10) . 2_666
C12 Ru1 C11 Cs2 -91.29(10) . 2_666
C14 Ru1 C11 Cs2 2(8) . 2_666
N2 Ru1 C11 Cs2 93.97(9) . 2_666
N1 Ru1 C11 Cs2 171.20(9) . 2_666
Cs2 N4 C12 Ru1 137(52) . .
Cs1 N4 C12 Ru1 46(52) 1_545 .
Cs2 N4 C12 Ru1 -136(52) 2_566 .
Cs1 N4 C12 Cs2 -90.52(11) 1_545 .
Cs2 N4 C12 Cs2 87.28(5) 2_566 .
Cs2 N4 C12 Cs2 -87.28(5) . 2_566
Cs1 N4 C12 Cs2 -177.79(13) 1_545 2_566
C13 Ru1 C12 N4 -125(52) . .
C14 Ru1 C12 N4 145(52) . .
C11 Ru1 C12 N4 -35(52) . .
N2 Ru1 C12 N4 38(53) . .
N1 Ru1 C12 N4 55(52) . .
C13 Ru1 C12 Cs2 12.30(10) . .
C14 Ru1 C12 Cs2 -77.74(9) . .
C11 Ru1 C12 Cs2 101.54(9) . .
N2 Ru1 C12 Cs2 175.3(9) . .
N1 Ru1 C12 Cs2 -168.13(8) . .
C13 Ru1 C12 Cs2 99.70(9) . 2_566
C14 Ru1 C12 Cs2 9.66(9) . 2_566
C11 Ru1 C12 Cs2 -171.06(9) . 2_566
N2 Ru1 C12 Cs2 -97.3(10) . 2_566
N1 Ru1 C12 Cs2 -80.72(9) . 2_566
N6 Cs2 C12 N4 -7.89(18) 2_566 .
N5 Cs2 C12 N4 166.76(19) . .
N3 Cs2 C12 N4 140.56(19) 2_666 .
N5 Cs2 C12 N4 86.02(18) 2_666 .
O2W Cs2 C12 N4 -158.07(17) 2_676 .
C13 Cs2 C12 N4 170.2(2) . .
C14 Cs2 C12 N4 -26.77(18) 2_566 .
N4 Cs2 C12 N4 -90.77(18) 2_566 .
C11 Cs2 C12 N4 115.73(18) 2_666 .
C13 Cs2 C12 N4 93.12(18) 2_666 .
N6 Cs2 C12 Ru1 172.32(9) 2_566 .
N5 Cs2 C12 Ru1 -13.03(9) . .
N3 Cs2 C12 Ru1 -39.2(2) 2_666 .
N5 Cs2 C12 Ru1 -93.77(10) 2_666 .
O2W Cs2 C12 Ru1 22.14(12) 2_676 .
N4 Cs2 C12 Ru1 -179.8(2) . .
C13 Cs2 C12 Ru1 -9.55(8) . .
C14 Cs2 C12 Ru1 153.43(9) 2_566 .
N4 Cs2 C12 Ru1 89.44(10) 2_566 .
C11 Cs2 C12 Ru1 -64.06(14) 2_666 .
C13 Cs2 C12 Ru1 -86.67(10) 2_666 .
N6 Cs2 C12 Cs2 65.39(6) 2_566 2_566
N5 Cs2 C12 Cs2 -119.97(6) . 2_566
N3 Cs2 C12 Cs2 -146.16(13) 2_666 2_566
N5 Cs2 C12 Cs2 159.30(6) 2_666 2_566
O2W Cs2 C12 Cs2 -84.79(7) 2_676 2_566
N4 Cs2 C12 Cs2 73.28(17) . 2_566
C13 Cs2 C12 Cs2 -116.48(8) . 2_566
C14 Cs2 C12 Cs2 46.50(6) 2_566 2_566
N4 Cs2 C12 Cs2 -17.50(5) 2_566 2_566
C11 Cs2 C12 Cs2 -171.00(7) 2_666 2_566
C13 Cs2 C12 Cs2 166.40(5) 2_666 2_566
Cs1 N5 C13 Ru1 37(4) 2_676 .
Cs2 N5 C13 Ru1 176(4) . .
Cs2 N5 C13 Ru1 -83(4) 2_666 .
Cs1 N5 C13 Ru1 87(4) . .
Cs1 N5 C13 Cs2 -138.7(6) 2_676 .
Cs2 N5 C13 Cs2 101.34(7) 2_666 .
Cs1 N5 C13 Cs2 -88.80(6) . .
Cs1 N5 C13 Cs2 120.0(6) 2_676 2_666
Cs2 N5 C13 Cs2 -101.34(7) . 2_666
Cs1 N5 C13 Cs2 169.86(9) . 2_666
Cs1 N5 C13 Cs1 -49.9(5) 2_676 .
Cs2 N5 C13 Cs1 88.80(6) . .
Cs2 N5 C13 Cs1 -169.86(9) 2_666 .
C12 Ru1 C13 N5 171(4) . .
C14 Ru1 C13 N5 -99(4) . .
C11 Ru1 C13 N5 81(4) . .
N2 Ru1 C13 N5 -7(4) . .
N1 Ru1 C13 N5 -6(4) . .
C12 Ru1 C13 Cs2 -13.03(10) . .
C14 Ru1 C13 Cs2 77.26(10) . .
C11 Ru1 C13 Cs2 -102.76(10) . .
N2 Ru1 C13 Cs2 168.57(9) . .
N1 Ru1 C13 Cs2 169.7(5) . .
C12 Ru1 C13 Cs2 89.77(10) . 2_666
C14 Ru1 C13 Cs2 -179.94(10) . 2_666
C11 Ru1 C13 Cs2 0.04(10) . 2_666
N2 Ru1 C13 Cs2 -88.62(9) . 2_666
N1 Ru1 C13 Cs2 -87.5(6) . 2_666
C12 Ru1 C13 Cs1 -102.90(10) . .
C14 Ru1 C13 Cs1 -12.62(10) . .
C11 Ru1 C13 Cs1 167.36(10) . .
N2 Ru1 C13 Cs1 78.70(9) . .
N1 Ru1 C13 Cs1 79.9(6) . .
N6 Cs2 C13 N5 -167.12(16) 2_566 .
N3 Cs2 C13 N5 -2.38(19) 2_666 .
N5 Cs2 C13 N5 -82.40(18) 2_666 .
O2W Cs2 C13 N5 36.56(17) 2_676 .
N4 Cs2 C13 N5 -166.96(19) . .
C12 Cs2 C13 N5 -170.4(2) . .
C14 Cs2 C13 N5 158.76(16) 2_566 .
N4 Cs2 C13 N5 103.61(17) 2_566 .
C11 Cs2 C13 N5 -21.31(18) 2_666 .
C13 Cs2 C13 N5 -64.60(17) 2_666 .
N6 Cs2 C13 Ru1 13.12(17) 2_566 .
N5 Cs2 C13 Ru1 -179.8(2) . .
N3 Cs2 C13 Ru1 177.86(9) 2_666 .
N5 Cs2 C13 Ru1 97.84(10) 2_666 .
O2W Cs2 C13 Ru1 -143.20(11) 2_676 .
N4 Cs2 C13 Ru1 13.28(9) . .
C12 Cs2 C13 Ru1 9.81(8) . .
C14 Cs2 C13 Ru1 -21.00(17) 2_566 .
N4 Cs2 C13 Ru1 -76.15(10) 2_566 .
C11 Cs2 C13 Ru1 158.93(9) 2_666 .
C13 Cs2 C13 Ru1 115.64(12) 2_666 .
N6 Cs2 C13 Cs2 -102.52(10) 2_566 2_666
N5 Cs2 C13 Cs2 64.60(17) . 2_666
N3 Cs2 C13 Cs2 62.22(7) 2_666 2_666
N5 Cs2 C13 Cs2 -17.80(5) 2_666 2_666
O2W Cs2 C13 Cs2 101.16(6) 2_676 2_666
N4 Cs2 C13 Cs2 -102.36(7) . 2_666
C12 Cs2 C13 Cs2 -105.83(8) . 2_666
C14 Cs2 C13 Cs2 -136.64(9) 2_566 2_666
N4 Cs2 C13 Cs2 168.21(5) 2_566 2_666
C11 Cs2 C13 Cs2 43.29(7) 2_666 2_666
C13 Cs2 C13 Cs2 0.0 2_666 2_666
N6 Cs2 C13 Cs1 121.00(9) 2_566 .
N5 Cs2 C13 Cs1 -71.88(17) . .
N3 Cs2 C13 Cs1 -74.26(6) 2_666 .
N5 Cs2 C13 Cs1 -154.29(6) 2_666 .
O2W Cs2 C13 Cs1 -35.33(5) 2_676 .
N4 Cs2 C13 Cs1 121.16(6) . .
C12 Cs2 C13 Cs1 117.68(8) . .
C14 Cs2 C13 Cs1 86.88(10) 2_566 .
N4 Cs2 C13 Cs1 31.73(5) 2_566 .
C11 Cs2 C13 Cs1 -93.19(6) 2_666 .
C13 Cs2 C13 Cs1 -136.48(7) 2_666 .
O2W Cs1 C13 N5 67.33(18) . .
N5 Cs1 C13 N5 19.2(2) 2_676 .
O2W Cs1 C13 N5 -35.73(18) 2_676 .
N6 Cs1 C13 N5 -169.90(19) . .
N4 Cs1 C13 N5 160.05(16) 1_565 .
O1W Cs1 C13 N5 -66.26(19) 2_576 .
C14 Cs1 C13 N5 -173.5(2) . .
Cs1 Cs1 C13 N5 13.65(16) 2_676 .
Cs2 Cs1 C13 N5 -73.34(17) . .
Cs2 Cs1 C13 N5 13.7(3) 1_565 .
O2W Cs1 C13 Ru1 -109.16(10) . .
N5 Cs1 C13 Ru1 -157.34(8) 2_676 .
O2W Cs1 C13 Ru1 147.77(11) 2_676 .
N6 Cs1 C13 Ru1 13.61(8) . .
N4 Cs1 C13 Ru1 -16.44(17) 1_565 .
O1W Cs1 C13 Ru1 117.25(10) 2_576 .
N5 Cs1 C13 Ru1 -176.5(2) . .
C14 Cs1 C13 Ru1 9.96(8) . .
Cs1 Cs1 C13 Ru1 -162.84(10) 2_676 .
Cs2 Cs1 C13 Ru1 110.17(11) . .
Cs2 Cs1 C13 Ru1 -162.76(6) 1_565 .
O2W Cs1 C13 Cs2 140.67(7) . .
N5 Cs1 C13 Cs2 92.49(7) 2_676 .
O2W Cs1 C13 Cs2 37.60(5) 2_676 .
N6 Cs1 C13 Cs2 -96.56(6) . .
N4 Cs1 C13 Cs2 -126.61(10) 1_565 .
O1W Cs1 C13 Cs2 7.08(7) 2_576 .
N5 Cs1 C13 Cs2 73.34(17) . .
C14 Cs1 C13 Cs2 -100.21(8) . .
Cs1 Cs1 C13 Cs2 86.99(4) 2_676 .
Cs2 Cs1 C13 Cs2 87.08(15) 1_565 .
O2W Cs1 C13 Cs2 53.72(10) . 2_666
N5 Cs1 C13 Cs2 5.55(13) 2_676 2_666
O2W Cs1 C13 Cs2 -49.34(10) 2_676 2_666
N6 Cs1 C13 Cs2 176.50(12) . 2_666
N4 Cs1 C13 Cs2 146.45(10) 1_565 2_666
O1W Cs1 C13 Cs2 -79.86(11) 2_576 2_666
N5 Cs1 C13 Cs2 -13.60(13) . 2_666
C14 Cs1 C13 Cs2 172.85(14) . 2_666
Cs1 Cs1 C13 Cs2 0.04(8) 2_676 2_666
Cs2 Cs1 C13 Cs2 -86.94(10) . 2_666
Cs2 Cs1 C13 Cs2 0.1(2) 1_565 2_666
Cs2 N6 C14 Ru1 -1(67) 2_566 .
Cs1 N6 C14 Ru1 115(67) . .
Cs1 N6 C14 Cs2 115.47(9) . 2_566
Cs2 N6 C14 Cs1 -115.47(9) 2_566 .
C13 Ru1 C14 N6 -101(67) . .
C12 Ru1 C14 N6 -10(67) . .
C11 Ru1 C14 N6 -103(67) . .
N2 Ru1 C14 N6 165(100) . .
N1 Ru1 C14 N6 87(67) . .
C13 Ru1 C14 Cs2 -101.84(10) . 2_566
C12 Ru1 C14 Cs2 -10.59(10) . 2_566
C11 Ru1 C14 Cs2 -104(8) . 2_566
N2 Ru1 C14 Cs2 164.17(9) . 2_566
N1 Ru1 C14 Cs2 86.93(9) . 2_566
C13 Ru1 C14 Cs1 13.52(10) . .
C12 Ru1 C14 Cs1 104.77(10) . .
C11 Ru1 C14 Cs1 12(8) . .
N2 Ru1 C14 Cs1 -80.47(9) . .
N1 Ru1 C14 Cs1 -157.71(9) . .
O2W Cs1 C14 N6 -133.24(18) . .
N5 Cs1 C14 N6 -147.8(2) 2_676 .
O2W Cs1 C14 N6 125.74(17) 2_676 .
N4 Cs1 C14 N6 -24.01(19) 1_565 .
O1W Cs1 C14 N6 73.48(19) 2_576 .
N5 Cs1 C14 N6 167.48(19) . .
C13 Cs1 C14 N6 169.7(2) . .
Cs1 Cs1 C14 N6 176.73(16) 2_676 .
Cs2 Cs1 C14 N6 119.69(18) . .
Cs2 Cs1 C14 N6 -14.1(2) 1_565 .
O2W Cs1 C14 Ru1 47.04(10) . .
N5 Cs1 C14 Ru1 32.5(3) 2_676 .
O2W Cs1 C14 Ru1 -53.98(11) 2_676 .
N6 Cs1 C14 Ru1 -179.7(2) . .
N4 Cs1 C14 Ru1 156.28(9) 1_565 .
O1W Cs1 C14 Ru1 -106.23(11) 2_576 .
N5 Cs1 C14 Ru1 -12.24(9) . .
C13 Cs1 C14 Ru1 -10.01(8) . .
Cs1 Cs1 C14 Ru1 -2.99(11) 2_676 .
Cs2 Cs1 C14 Ru1 -60.03(8) . .
Cs2 Cs1 C14 Ru1 166.18(3) 1_565 .
O2W Cs1 C14 Cs2 169.73(6) . 2_566
N5 Cs1 C14 Cs2 155.20(18) 2_676 2_566
O2W Cs1 C14 Cs2 68.71(7) 2_676 2_566
N6 Cs1 C14 Cs2 -57.02(16) . 2_566
N4 Cs1 C14 Cs2 -81.03(7) 1_565 2_566
O1W Cs1 C14 Cs2 16.46(9) 2_576 2_566
N5 Cs1 C14 Cs2 110.46(7) . 2_566
C13 Cs1 C14 Cs2 112.68(9) . 2_566
Cs1 Cs1 C14 Cs2 119.70(5) 2_676 2_566
Cs2 Cs1 C14 Cs2 62.66(4) . 2_566
Cs2 Cs1 C14 Cs2 -71.13(9) 1_565 2_566
