#------------------------------------------------------------------------------
#$Date: 2021-04-16 11:46:56 +0300 (Fri, 16 Apr 2021) $
#$Revision: 264242 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/33/90/4339001.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_4339001
loop_
_publ_author_name
'Stagni, Stefano'
'Orselli, Enrico'
'Palazzi, Antonio'
'De Cola, Luisa'
'Zacchini, Stefano'
'Femoni, Cristina'
'Marcaccio, Massimo'
'Paolucci, Francesco'
'Zanarini, Simone'
_publ_section_title
;
 Polypyridyl ruthenium(II) complexes with tetrazolate-based chelating
 ligands. Synthesis, reactivity, and electrochemical and photophysical
 properties.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9126
_journal_page_last               9138
_journal_paper_doi               10.1021/ic7011556
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C27 H25 F8 N10 O P Ru'
_chemical_formula_weight         751.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.10(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.426(6)
_cell_length_b                   13.159(3)
_cell_length_c                   16.647(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6014(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0655
_diffrn_reflns_av_sigmaI/netI    0.0423
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26064
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    0.654
_exptl_absorpt_correction_T_max  0.9257
_exptl_absorpt_correction_T_min  0.8642
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.988
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         5314
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.1588
_reflns_number_gt                4071
_reflns_number_total             5314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7011556-file003.cif
_cod_data_source_block           z48c2c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

2021-04-14
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C36 H33.33 F8 N13.33 O1.33 P1.33 Ru1.33'
_cod_original_formula_weight         1002.15
_cod_original_formula_units_Z            6
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4339001
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.142958(13) 0.36935(3) 0.12357(2) 0.03641(17) Uani 1 1 d .
N1 N 0.09024(14) 0.2639(3) 0.1191(2) 0.0401(9) Uani 1 1 d .
C1 C 0.05966(18) 0.2187(4) 0.0479(4) 0.0541(13) Uani 1 1 d .
H1 H 0.0615 0.2362 -0.0050 0.065 Uiso 1 1 calc R
C2 C 0.0258(2) 0.1480(4) 0.0495(5) 0.0684(17) Uani 1 1 d .
H2 H 0.0053 0.1182 -0.0012 0.082 Uiso 1 1 calc R
C3 C 0.0226(3) 0.1219(5) 0.1271(6) 0.082(2) Uani 1 1 d .
H3 H 0.0004 0.0733 0.1301 0.098 Uiso 1 1 calc R
C4 C 0.0530(2) 0.1690(5) 0.1998(5) 0.0729(18) Uani 1 1 d .
H4 H 0.0510 0.1530 0.2528 0.087 Uiso 1 1 calc R
C5 C 0.08673(18) 0.2401(4) 0.1956(3) 0.0496(12) Uani 1 1 d .
C6 C 0.12312(18) 0.2886(4) 0.2709(3) 0.0471(12) Uani 1 1 d .
C7 C 0.1258(2) 0.2738(5) 0.3547(4) 0.0668(16) Uani 1 1 d .
H7 H 0.1022 0.2358 0.3663 0.080 Uiso 1 1 calc R
C8 C 0.1640(3) 0.3165(5) 0.4208(4) 0.0766(19) Uani 1 1 d .
H8 H 0.1666 0.3071 0.4776 0.092 Uiso 1 1 calc R
C9 C 0.1978(3) 0.3721(5) 0.4026(4) 0.0744(19) Uani 1 1 d .
H9 H 0.2240 0.4003 0.4469 0.089 Uiso 1 1 calc R
C10 C 0.1931(2) 0.3866(4) 0.3189(4) 0.0594(15) Uani 1 1 d .
H10 H 0.2164 0.4254 0.3072 0.071 Uiso 1 1 calc R
N2 N 0.15588(15) 0.3468(3) 0.2521(3) 0.0428(9) Uani 1 1 d .
N3 N 0.19448(14) 0.2663(3) 0.1205(2) 0.0443(9) Uani 1 1 d .
C11 C 0.18818(19) 0.1662(4) 0.1089(4) 0.0531(13) Uani 1 1 d .
H11 H 0.1587 0.1380 0.1061 0.064 Uiso 1 1 calc R
C12 C 0.2233(2) 0.1033(4) 0.1011(4) 0.0605(15) Uani 1 1 d .
H12 H 0.2177 0.0337 0.0938 0.073 Uiso 1 1 calc R
C13 C 0.2670(2) 0.1436(5) 0.1042(5) 0.076(2) Uani 1 1 d .
H13 H 0.2909 0.1025 0.0967 0.091 Uiso 1 1 calc R
C14 C 0.2745(2) 0.2455(5) 0.1186(4) 0.0684(17) Uani 1 1 d .
H14 H 0.3044 0.2736 0.1236 0.082 Uiso 1 1 calc R
C15 C 0.23848(17) 0.3073(4) 0.1260(3) 0.0466(12) Uani 1 1 d .
C16 C 0.24174(19) 0.4177(4) 0.1360(3) 0.0529(13) Uani 1 1 d .
C17 C 0.2826(2) 0.4732(5) 0.1439(5) 0.0783(19) Uani 1 1 d .
H17 H 0.3105 0.4404 0.1430 0.094 Uiso 1 1 calc R
C18 C 0.2827(3) 0.5766(6) 0.1530(5) 0.096(3) Uani 1 1 d .
H18 H 0.3100 0.6147 0.1568 0.115 Uiso 1 1 calc R
C19 C 0.2418(3) 0.6226(5) 0.1565(5) 0.083(2) Uani 1 1 d .
H19 H 0.2413 0.6926 0.1636 0.099 Uiso 1 1 calc R
C20 C 0.2019(2) 0.5657(4) 0.1495(4) 0.0597(15) Uani 1 1 d .
H20 H 0.1743 0.5978 0.1521 0.072 Uiso 1 1 calc R
N4 N 0.20139(15) 0.4633(3) 0.1389(2) 0.0470(10) Uani 1 1 d .
N5 N 0.11977(14) 0.3968(3) -0.0056(2) 0.0414(9) Uani 1 1 d .
N6 N 0.12801(18) 0.3577(3) -0.0741(3) 0.0570(12) Uani 1 1 d .
N7 N 0.1008(2) 0.4083(4) -0.1417(3) 0.0694(14) Uani 1 1 d .
N8 N 0.07453(17) 0.4805(4) -0.1201(3) 0.0593(12) Uani 1 1 d .
C21 C 0.08749(16) 0.4707(4) -0.0354(3) 0.0418(11) Uani 1 1 d .
C22 C 0.07081(17) 0.5221(4) 0.0255(3) 0.0431(11) Uani 1 1 d .
N9 N 0.09214(14) 0.4853(3) 0.1072(2) 0.0421(9) Uani 1 1 d .
C23 C 0.0774(2) 0.5285(4) 0.1670(3) 0.0541(13) Uani 1 1 d .
H23 H 0.0905 0.5058 0.2236 0.065 Uiso 1 1 calc R
C24 C 0.0439(2) 0.6046(4) 0.1467(4) 0.0608(15) Uani 1 1 d .
H24 H 0.0357 0.6333 0.1906 0.073 Uiso 1 1 calc R
N10 N 0.02230(19) 0.6402(3) 0.0668(4) 0.0645(14) Uani 1 1 d .
C25 C 0.03726(19) 0.5983(4) 0.0086(4) 0.0518(13) Uani 1 1 d .
H25 H 0.0240 0.6223 -0.0476 0.062 Uiso 1 1 calc R
P1 P 0.13167(7) 0.86451(14) 0.10487(15) 0.0779(6) Uani 1 1 d .
F1 F 0.1467(3) 0.9608(6) 0.1574(6) 0.196(3) Uani 1 1 d .
F2 F 0.1134(4) 0.9242(11) 0.0283(6) 0.305(7) Uani 1 1 d .
F3 F 0.1200(3) 0.7600(6) 0.0615(6) 0.225(5) Uani 1 1 d .
F4 F 0.1464(4) 0.8060(8) 0.1894(6) 0.262(5) Uani 1 1 d .
F5 F 0.0809(3) 0.8675(5) 0.1147(6) 0.171(3) Uani 1 1 d .
F6 F 0.1789(3) 0.8618(5) 0.0923(10) 0.291(7) Uani 1 1 d .
C27 C 0.9172(3) 0.9225(7) 0.1535(7) 0.126(3) Uani 1 1 d D
H27A H 0.8904 0.8796 0.1215 0.188 Uiso 1 1 calc R
H27B H 0.9255 0.9659 0.1145 0.188 Uiso 1 1 calc R
H27C H 0.9080 0.9634 0.1930 0.188 Uiso 1 1 calc R
C26 C 0.9598(3) 0.8587(6) 0.2022(6) 0.115(3) Uani 1 1 d D
H26A H 0.9513 0.8143 0.2411 0.138 Uiso 1 1 calc R
H26B H 0.9687 0.8165 0.1624 0.138 Uiso 1 1 calc R
O1 O 1.0000 0.9204(5) 0.2500 0.0845(19) Uani 1 2 d SD
O2 O 1.0000 0.3867(6) 0.2500 0.096(2) Uiso 1 2 d SD
H1O H 1.0286(11) 0.402(6) 0.258(6) 0.143 Uiso 1 1 d 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
N5 Ru1 N3 93.45(15) .
N5 Ru1 N2 171.45(15) .
N3 Ru1 N2 94.00(16) .
N5 Ru1 N4 88.38(15) .
N3 Ru1 N4 78.90(17) .
N2 Ru1 N4 97.16(16) .
N5 Ru1 N1 96.85(15) .
N3 Ru1 N1 96.18(16) .
N2 Ru1 N1 78.18(15) .
N4 Ru1 N1 173.06(15) .
N5 Ru1 N9 77.35(15) .
N3 Ru1 N9 169.69(15) .
N2 Ru1 N9 95.54(15) .
N4 Ru1 N9 96.01(16) .
N1 Ru1 N9 89.60(16) .
C1 N1 C5 118.4(4) .
C1 N1 Ru1 125.9(3) .
C5 N1 Ru1 115.7(3) .
N1 C1 C2 122.9(6) .
N1 C1 H1 118.5 .
C2 C1 H1 118.5 .
C1 C2 C3 119.0(6) .
C1 C2 H2 120.5 .
C3 C2 H2 120.5 .
C4 C3 C2 118.3(6) .
C4 C3 H3 120.8 .
C2 C3 H3 120.8 .
C3 C4 C5 121.0(6) .
C3 C4 H4 119.5 .
C5 C4 H4 119.5 .
N1 C5 C4 120.2(5) .
N1 C5 C6 115.1(4) .
C4 C5 C6 124.5(5) .
N2 C6 C7 121.8(5) .
N2 C6 C5 114.2(4) .
C7 C6 C5 124.0(5) .
C8 C7 C6 118.8(6) .
C8 C7 H7 120.6 .
C6 C7 H7 120.6 .
C9 C8 C7 119.8(6) .
C9 C8 H8 120.1 .
C7 C8 H8 120.1 .
C8 C9 C10 119.5(6) .
C8 C9 H9 120.3 .
C10 C9 H9 120.3 .
N2 C10 C9 122.7(6) .
N2 C10 H10 118.7 .
C9 C10 H10 118.7 .
C10 N2 C6 117.5(5) .
C10 N2 Ru1 126.2(4) .
C6 N2 Ru1 116.3(3) .
C11 N3 C15 118.4(4) .
C11 N3 Ru1 126.2(3) .
C15 N3 Ru1 115.3(3) .
N3 C11 C12 122.7(5) .
N3 C11 H11 118.6 .
C12 C11 H11 118.6 .
C11 C12 C13 119.5(5) .
C11 C12 H12 120.3 .
C13 C12 H12 120.3 .
C14 C13 C12 118.4(6) .
C14 C13 H13 120.8 .
C12 C13 H13 120.8 .
C13 C14 C15 121.0(5) .
C13 C14 H14 119.5 .
C15 C14 H14 119.5 .
C14 C15 N3 120.0(5) .
C14 C15 C16 125.2(5) .
N3 C15 C16 114.7(4) .
N4 C16 C17 120.9(5) .
N4 C16 C15 115.1(4) .
C17 C16 C15 124.0(5) .
C18 C17 C16 120.3(7) .
C18 C17 H17 119.8 .
C16 C17 H17 119.8 .
C19 C18 C17 118.7(6) .
C19 C18 H18 120.7 .
C17 C18 H18 120.7 .
C20 C19 C18 119.9(6) .
C20 C19 H19 120.0 .
C18 C19 H19 120.0 .
N4 C20 C19 121.6(6) .
N4 C20 H20 119.2 .
C19 C20 H20 119.2 .
C16 N4 C20 118.6(5) .
C16 N4 Ru1 115.9(3) .
C20 N4 Ru1 125.5(4) .
C21 N5 N6 106.6(4) .
C21 N5 Ru1 116.6(3) .
N6 N5 Ru1 136.8(3) .
N7 N6 N5 107.0(4) .
N6 N7 N8 111.2(4) .
C21 N8 N7 103.9(4) .
N5 C21 N8 111.2(4) .
N5 C21 C22 117.4(4) .
N8 C21 C22 131.3(5) .
C25 C22 N9 120.3(5) .
C25 C22 C21 127.2(5) .
N9 C22 C21 112.5(4) .
C23 N9 C22 115.6(4) .
C23 N9 Ru1 128.3(3) .
C22 N9 Ru1 116.1(3) .
N9 C23 C24 121.6(5) .
N9 C23 H23 119.2 .
C24 C23 H23 119.2 .
N10 C24 C23 123.4(5) .
N10 C24 H24 118.3 .
C23 C24 H24 118.3 .
C25 N10 C24 114.7(5) .
N10 C25 C22 124.3(5) .
N10 C25 H25 117.8 .
C22 C25 H25 117.8 .
F2 P1 F6 87.6(7) .
F2 P1 F1 89.6(7) .
F6 P1 F1 90.5(4) .
F2 P1 F4 173.4(6) .
F6 P1 F4 98.6(7) .
F1 P1 F4 87.8(6) .
F2 P1 F3 97.1(7) .
F6 P1 F3 88.5(4) .
F1 P1 F3 173.1(6) .
F4 P1 F3 85.6(5) .
F2 P1 F5 90.8(5) .
F6 P1 F5 178.0(7) .
F1 P1 F5 90.5(4) .
F4 P1 F5 83.2(5) .
F3 P1 F5 90.6(4) .
C26 C27 H27A 109.5 .
C26 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C26 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
O1 C26 C27 110.6(7) .
O1 C26 H26A 109.5 .
C27 C26 H26A 109.5 .
O1 C26 H26B 109.5 .
C27 C26 H26B 109.5 .
H26A C26 H26B 108.1 .
C26 O1 C26 110.2(9) 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N5 2.040(4) .
Ru1 N3 2.048(4) .
Ru1 N2 2.056(4) .
Ru1 N4 2.057(4) .
Ru1 N1 2.063(4) .
Ru1 N9 2.084(4) .
N1 C1 1.341(6) .
N1 C5 1.351(6) .
C1 C2 1.371(8) .
C1 H1 0.9300 .
C2 C3 1.371(10) .
C2 H2 0.9300 .
C3 C4 1.367(10) .
C3 H3 0.9300 .
C4 C5 1.383(8) .
C4 H4 0.9300 .
C5 C6 1.469(7) .
C6 N2 1.354(6) .
C6 C7 1.382(7) .
C7 C8 1.378(9) .
C7 H7 0.9300 .
C8 C9 1.353(10) .
C8 H8 0.9300 .
C9 C10 1.363(8) .
C9 H9 0.9300 .
C10 N2 1.353(7) .
C10 H10 0.9300 .
N3 C11 1.335(7) .
N3 C15 1.374(6) .
C11 C12 1.367(8) .
C11 H11 0.9300 .
C12 C13 1.374(9) .
C12 H12 0.9300 .
C13 C14 1.367(9) .
C13 H13 0.9300 .
C14 C15 1.374(7) .
C14 H14 0.9300 .
C15 C16 1.462(8) .
C16 N4 1.346(7) .
C16 C17 1.374(7) .
C17 C18 1.368(10) .
C17 H17 0.9300 .
C18 C19 1.366(11) .
C18 H18 0.9300 .
C19 C20 1.363(9) .
C19 H19 0.9300 .
C20 N4 1.360(7) .
C20 H20 0.9300 .
N5 C21 1.325(6) .
N5 N6 1.350(6) .
N6 N7 1.305(7) .
N7 N8 1.352(7) .
N8 C21 1.328(6) .
C21 C22 1.443(7) .
C22 C25 1.364(7) .
C22 N9 1.366(6) .
N9 C23 1.346(6) .
C23 C24 1.359(8) .
C23 H23 0.9300 .
C24 N10 1.335(8) .
C24 H24 0.9300 .
N10 C25 1.321(8) .
C25 H25 0.9300 .
P1 F2 1.428(8) .
P1 F6 1.478(7) .
P1 F1 1.513(6) .
P1 F4 1.524(9) .
P1 F3 1.533(6) .
P1 F5 1.561(7) .
C27 C26 1.485(8) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C26 O1 1.419(7) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
O1 C26 1.419(7) 2_755
O2 H1O 0.828(10) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H1O N8 0.828(10) 2.52(8) 3.021(7) 120(7) 6_666
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_4
N5 Ru1 N1 C1 12.2(4) .
N3 Ru1 N1 C1 -82.0(4) .
N2 Ru1 N1 C1 -174.9(4) .
N4 Ru1 N1 C1 -126.5(12) .
N9 Ru1 N1 C1 89.4(4) .
N5 Ru1 N1 C5 -167.2(3) .
N3 Ru1 N1 C5 98.5(3) .
N2 Ru1 N1 C5 5.7(3) .
N4 Ru1 N1 C5 54.0(14) .
N9 Ru1 N1 C5 -90.0(3) .
C5 N1 C1 C2 -1.5(8) .
Ru1 N1 C1 C2 179.1(4) .
N1 C1 C2 C3 0.2(9) .
C1 C2 C3 C4 1.1(10) .
C2 C3 C4 C5 -1.1(11) .
C1 N1 C5 C4 1.5(7) .
Ru1 N1 C5 C4 -179.0(4) .
C1 N1 C5 C6 176.9(4) .
Ru1 N1 C5 C6 -3.6(5) .
C3 C4 C5 N1 -0.2(9) .
C3 C4 C5 C6 -175.2(6) .
N1 C5 C6 N2 -2.4(6) .
C4 C5 C6 N2 172.8(5) .
N1 C5 C6 C7 -179.7(5) .
C4 C5 C6 C7 -4.6(8) .
N2 C6 C7 C8 -2.6(8) .
C5 C6 C7 C8 174.5(5) .
C6 C7 C8 C9 0.4(10) .
C7 C8 C9 C10 1.0(10) .
C8 C9 C10 N2 -0.4(10) .
C9 C10 N2 C6 -1.6(8) .
C9 C10 N2 Ru1 176.6(4) .
C7 C6 N2 C10 3.1(7) .
C5 C6 N2 C10 -174.3(4) .
C7 C6 N2 Ru1 -175.3(4) .
C5 C6 N2 Ru1 7.3(5) .
N5 Ru1 N2 C10 -130.3(10) .
N3 Ru1 N2 C10 79.1(4) .
N4 Ru1 N2 C10 -0.2(5) .
N1 Ru1 N2 C10 174.6(5) .
N9 Ru1 N2 C10 -96.9(4) .
N5 Ru1 N2 C6 47.9(11) .
N3 Ru1 N2 C6 -102.6(3) .
N4 Ru1 N2 C6 178.1(3) .
N1 Ru1 N2 C6 -7.1(3) .
N9 Ru1 N2 C6 81.3(3) .
N5 Ru1 N3 C11 -90.8(4) .
N2 Ru1 N3 C11 85.0(4) .
N4 Ru1 N3 C11 -178.5(4) .
N1 Ru1 N3 C11 6.5(4) .
N9 Ru1 N3 C11 -117.3(8) .
N5 Ru1 N3 C15 85.2(3) .
N2 Ru1 N3 C15 -99.0(3) .
N4 Ru1 N3 C15 -2.4(3) .
N1 Ru1 N3 C15 -177.5(3) .
N9 Ru1 N3 C15 58.7(10) .
C15 N3 C11 C12 -1.0(8) .
Ru1 N3 C11 C12 174.9(4) .
N3 C11 C12 C13 -0.7(10) .
C11 C12 C13 C14 2.6(11) .
C12 C13 C14 C15 -2.9(11) .
C13 C14 C15 N3 1.3(9) .
C13 C14 C15 C16 -176.0(6) .
C11 N3 C15 C14 0.7(7) .
Ru1 N3 C15 C14 -175.6(4) .
C11 N3 C15 C16 178.3(5) .
Ru1 N3 C15 C16 1.9(5) .
C14 C15 C16 N4 177.7(5) .
N3 C15 C16 N4 0.4(6) .
C14 C15 C16 C17 -3.6(9) .
N3 C15 C16 C17 179.1(5) .
N4 C16 C17 C18 -1.4(10) .
C15 C16 C17 C18 180.0(6) .
C16 C17 C18 C19 1.8(12) .
C17 C18 C19 C20 -1.0(12) .
C18 C19 C20 N4 -0.2(11) .
C17 C16 N4 C20 0.2(8) .
C15 C16 N4 C20 178.9(4) .
C17 C16 N4 Ru1 178.8(4) .
C15 C16 N4 Ru1 -2.4(6) .
C19 C20 N4 C16 0.6(8) .
C19 C20 N4 Ru1 -177.9(5) .
N5 Ru1 N4 C16 -91.2(4) .
N3 Ru1 N4 C16 2.7(3) .
N2 Ru1 N4 C16 95.4(4) .
N1 Ru1 N4 C16 47.9(14) .
N9 Ru1 N4 C16 -168.3(4) .
N5 Ru1 N4 C20 87.3(4) .
N3 Ru1 N4 C20 -178.8(4) .
N2 Ru1 N4 C20 -86.1(4) .
N1 Ru1 N4 C20 -133.6(12) .
N9 Ru1 N4 C20 10.3(4) .
N3 Ru1 N5 C21 -173.4(3) .
N2 Ru1 N5 C21 36.0(12) .
N4 Ru1 N5 C21 -94.7(3) .
N1 Ru1 N5 C21 89.9(3) .
N9 Ru1 N5 C21 1.9(3) .
N3 Ru1 N5 N6 7.7(5) .
N2 Ru1 N5 N6 -142.9(9) .
N4 Ru1 N5 N6 86.4(5) .
N1 Ru1 N5 N6 -89.0(5) .
N9 Ru1 N5 N6 -177.0(5) .
C21 N5 N6 N7 -0.2(6) .
Ru1 N5 N6 N7 178.8(4) .
N5 N6 N7 N8 0.1(6) .
N6 N7 N8 C21 0.0(6) .
N6 N5 C21 N8 0.2(5) .
Ru1 N5 C21 N8 -179.0(3) .
N6 N5 C21 C22 177.3(4) .
Ru1 N5 C21 C22 -1.9(5) .
N7 N8 C21 N5 -0.1(6) .
N7 N8 C21 C22 -176.7(5) .
N5 C21 C22 C25 -178.6(5) .
N8 C21 C22 C25 -2.2(9) .
N5 C21 C22 N9 0.5(6) .
N8 C21 C22 N9 176.9(5) .
C25 C22 N9 C23 0.5(7) .
C21 C22 N9 C23 -178.6(4) .
C25 C22 N9 Ru1 -179.7(4) .
C21 C22 N9 Ru1 1.1(5) .
N5 Ru1 N9 C23 178.1(5) .
N3 Ru1 N9 C23 -154.7(8) .
N2 Ru1 N9 C23 2.9(4) .
N4 Ru1 N9 C23 -94.9(4) .
N1 Ru1 N9 C23 81.0(4) .
N5 Ru1 N9 C22 -1.6(3) .
N3 Ru1 N9 C22 25.6(10) .
N2 Ru1 N9 C22 -176.8(3) .
N4 Ru1 N9 C22 85.4(3) .
N1 Ru1 N9 C22 -98.7(3) .
C22 N9 C23 C24 -0.8(8) .
Ru1 N9 C23 C24 179.5(4) .
N9 C23 C24 N10 1.8(9) .
C23 C24 N10 C25 -2.4(9) .
C24 N10 C25 C22 2.2(8) .
N9 C22 C25 N10 -1.3(8) .
C21 C22 C25 N10 177.7(5) .
C27 C26 O1 C26 178.7(10) 2_755
