#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:52:01 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179132 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/94/4309430.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_4309430
loop_
_publ_author_name
'Sounak Sarkar'
'Biprajit Sarkar'
'Nripen Chanda'
'Sanjib Kar'
'Shaikh M. Mobin'
'Jan Fiedler'
'Wolfgang Kaim'
'Goutam Kumar Lahiri'
_publ_section_title
;
Complex Series [Ru(tpy)(dpk)(X)]n+ (tpy = 2,2':6',2''-Terpyridine;
dpk = 2,2'-Dipyridyl Ketone; X = Cl-, CH3CN, NO2-, NO+, NO., NO-):
Substitution and Electron Transfer, Structure, and Spectroscopy
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6092
_journal_page_last               6099
_journal_paper_doi               10.1021/ic050533e
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C26 H19 Cl N6 O7 Ru'
_chemical_formula_weight         663.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.503(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6950(7)
_cell_length_b                   19.8760(19)
_cell_length_c                   15.630(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.7900
_cell_measurement_theta_min      5.7800
_cell_volume                     2602.9(6)
_computing_cell_refinement       'Argus (Nonius, MACH3 software)'
_computing_data_collection       'Argus (Nonius, MACH3 software)'
_computing_data_reduction        'Maxus (Nonius software)'
_computing_molecular_graphics    Ortep
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Nonius MACH3'
_diffrn_measurement_method       ω/q-scan
_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  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4743
_diffrn_reflns_theta_full        24.93
_diffrn_reflns_theta_max         24.93
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        <3%
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.764
_exptl_absorpt_correction_T_max  0.9105
_exptl_absorpt_correction_T_min  0.8031
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.332
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4572
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0685P)²+4.1662P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1278
_reflns_number_gt                3502
_reflns_number_total             4572
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050533esi20050407_095741.cif
_cod_data_source_block           gk221
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Psi-scan' changed to
'psi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0685P)^2^+4.1662P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0685P)^2^+4.1662P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2602.9(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4309430
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.68026(4) 0.110305(18) 0.28874(2) 0.02932(14) Uani 1 d . . .
N1 N 0.7772(5) 0.20650(19) 0.2822(3) 0.0340(9) Uani 1 d . . .
N2 N 0.6744(5) 0.1339(2) 0.4177(3) 0.0349(9) Uani 1 d . . .
N3 N 0.9064(5) 0.06730(19) 0.3125(3) 0.0339(9) Uani 1 d . . .
N4 N 0.6848(5) 0.08808(19) 0.1672(3) 0.0339(9) Uani 1 d . . .
N5 N 0.4546(5) 0.1420(2) 0.2204(3) 0.0374(9) Uani 1 d . . .
N6 N 0.5942(5) 0.0162(2) 0.2978(3) 0.0402(10) Uani 1 d . . .
O1 O 1.0514(5) 0.2096(3) 0.4937(3) 0.0780(15) Uani 1 d . . .
O2 O 0.4921(5) -0.00911(19) 0.2358(3) 0.0550(10) Uani 1 d . . .
O3 O 0.6449(5) -0.0177(2) 0.3667(3) 0.0586(11) Uani 1 d . . .
O4 O 1.1888(13) -0.1516(8) 0.1657(10) 0.259(6) Uani 1 d . . .
O5 O 0.9929(15) -0.1021(3) 0.0975(5) 0.220(6) Uani 1 d . . .
O6 O 1.0259(18) -0.1626(6) 0.2295(6) 0.239(6) Uani 1 d . . .
O7 O 0.9665(12) -0.2138(3) 0.0992(5) 0.186(5) Uani 1 d . . .
Cl1 Cl 1.0304(2) -0.15815(8) 0.14526(11) 0.0694(5) Uani 1 d . . .
C1 C 0.7392(6) 0.2416(3) 0.2060(3) 0.0419(12) Uani 1 d . . .
H1 H 0.6616 0.2246 0.1578 0.050 Uiso 1 calc R . .
C2 C 0.8118(7) 0.3027(3) 0.1963(4) 0.0470(14) Uani 1 d . . .
H2 H 0.7809 0.3263 0.1431 0.056 Uiso 1 calc R . .
C3 C 0.9280(7) 0.3272(3) 0.2653(4) 0.0490(14) Uani 1 d . . .
H3 H 0.9797 0.3672 0.2597 0.059 Uiso 1 calc R . .
C4 C 0.9682(7) 0.2918(3) 0.3440(4) 0.0460(13) Uani 1 d . . .
H4 H 1.0492 0.3072 0.3916 0.055 Uiso 1 calc R . .
C5 C 0.8867(6) 0.2328(2) 0.3515(3) 0.0359(11) Uani 1 d . . .
C6 C 0.9213(7) 0.2013(3) 0.4414(3) 0.0445(13) Uani 1 d . . .
C7 C 0.7916(6) 0.1684(2) 0.4741(3) 0.0382(11) Uani 1 d . . .
C8 C 0.7976(8) 0.1774(3) 0.5632(4) 0.0525(15) Uani 1 d . . .
H8 H 0.8828 0.1998 0.6012 0.063 Uiso 1 calc R . .
C9 C 0.6745(8) 0.1525(3) 0.5939(4) 0.0570(16) Uani 1 d . . .
H9 H 0.6750 0.1581 0.6531 0.068 Uiso 1 calc R . .
C10 C 0.5516(8) 0.1195(3) 0.5363(4) 0.0525(15) Uani 1 d . . .
H10 H 0.4659 0.1035 0.5553 0.063 Uiso 1 calc R . .
C11 C 0.5562(7) 0.1103(3) 0.4496(4) 0.0427(12) Uani 1 d . . .
H11 H 0.4734 0.0867 0.4114 0.051 Uiso 1 calc R . .
C12 C 1.0076(6) 0.0509(3) 0.3900(4) 0.0426(12) Uani 1 d . . .
H12 H 0.9801 0.0613 0.4421 0.051 Uiso 1 calc R . .
C13 C 1.1518(6) 0.0190(3) 0.3964(4) 0.0516(14) Uani 1 d . . .
H13 H 1.2203 0.0089 0.4516 0.062 Uiso 1 calc R . .
C14 C 1.1919(7) 0.0029(3) 0.3206(4) 0.0548(15) Uani 1 d . . .
H14 H 1.2888 -0.0181 0.3235 0.066 Uiso 1 calc R . .
C15 C 1.0886(7) 0.0176(3) 0.2398(4) 0.0493(14) Uani 1 d . . .
H15 H 1.1154 0.0068 0.1877 0.059 Uiso 1 calc R . .
C16 C 0.9443(6) 0.0486(2) 0.2360(3) 0.0378(11) Uani 1 d . . .
C17 C 0.8176(6) 0.0613(2) 0.1528(3) 0.0385(12) Uani 1 d . . .
C18 C 0.8223(8) 0.0461(3) 0.0674(4) 0.0543(15) Uani 1 d . . .
H18 H 0.9147 0.0289 0.0565 0.065 Uiso 1 calc R . .
C19 C 0.6880(8) 0.0570(3) -0.0016(4) 0.0588(16) Uani 1 d . . .
H19 H 0.6899 0.0473 -0.0595 0.071 Uiso 1 calc R . .
C20 C 0.5509(8) 0.0822(3) 0.0149(4) 0.0513(14) Uani 1 d . . .
H20 H 0.4596 0.0888 -0.0315 0.062 Uiso 1 calc R . .
C21 C 0.5508(6) 0.0976(2) 0.1012(3) 0.0406(12) Uani 1 d . . .
C22 C 0.4183(6) 0.1263(2) 0.1315(3) 0.0403(12) Uani 1 d . . .
C23 C 0.2686(7) 0.1390(3) 0.0771(4) 0.0544(15) Uani 1 d . . .
H23 H 0.2452 0.1276 0.0173 0.065 Uiso 1 calc R . .
C24 C 0.1524(7) 0.1686(3) 0.1100(4) 0.0607(17) Uani 1 d . . .
H24 H 0.0508 0.1768 0.0733 0.073 Uiso 1 calc R . .
C25 C 0.1909(7) 0.1855(3) 0.1982(5) 0.0563(16) Uani 1 d . . .
H25 H 0.1154 0.2057 0.2222 0.068 Uiso 1 calc R . .
C26 C 0.3432(6) 0.1724(3) 0.2513(4) 0.0443(12) Uani 1 d . . .
H26 H 0.3689 0.1854 0.3106 0.053 Uiso 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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4 Ru1 N6 87.90(16) . . ?
N4 Ru1 N5 80.20(17) . . ?
N6 Ru1 N5 90.00(17) . . ?
N4 Ru1 N3 79.49(16) . . ?
N6 Ru1 N3 87.56(16) . . ?
N5 Ru1 N3 159.62(16) . . ?
N4 Ru1 N2 179.77(16) . . ?
N6 Ru1 N2 92.01(16) . . ?
N5 Ru1 N2 99.59(16) . . ?
N3 Ru1 N2 100.72(16) . . ?
N4 Ru1 N1 92.59(15) . . ?
N6 Ru1 N1 177.97(17) . . ?
N5 Ru1 N1 92.03(15) . . ?
N3 Ru1 N1 90.59(15) . . ?
N2 Ru1 N1 87.50(15) . . ?
C1 N1 C5 117.8(4) . . ?
C1 N1 Ru1 120.6(3) . . ?
C5 N1 Ru1 121.4(3) . . ?
C11 N2 C7 117.2(4) . . ?
C11 N2 Ru1 120.0(3) . . ?
C7 N2 Ru1 122.6(3) . . ?
C12 N3 C16 118.1(4) . . ?
C12 N3 Ru1 128.6(3) . . ?
C16 N3 Ru1 113.0(3) . . ?
C17 N4 C21 122.3(4) . . ?
C17 N4 Ru1 119.5(3) . . ?
C21 N4 Ru1 118.2(3) . . ?
C26 N5 C22 118.3(4) . . ?
C26 N5 Ru1 129.1(4) . . ?
C22 N5 Ru1 112.5(3) . . ?
O2 N6 O3 118.1(4) . . ?
O2 N6 Ru1 121.5(3) . . ?
O3 N6 Ru1 120.4(3) . . ?
O6 Cl1 O4 94.1(8) . . ?
O6 Cl1 O5 122.8(7) . . ?
O4 Cl1 O5 97.8(8) . . ?
O6 Cl1 O7 110.8(6) . . ?
O4 Cl1 O7 117.2(8) . . ?
O5 Cl1 O7 112.4(4) . . ?
N1 C1 C2 122.5(5) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 119.2(5) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 118.9(5) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C5 119.5(5) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 121.8(5) . . ?
N1 C5 C6 121.2(4) . . ?
C4 C5 C6 117.0(5) . . ?
O1 C6 C5 119.5(5) . . ?
O1 C6 C7 118.6(5) . . ?
C5 C6 C7 121.3(4) . . ?
N2 C7 C8 122.7(5) . . ?
N2 C7 C6 120.3(4) . . ?
C8 C7 C6 116.9(5) . . ?
C9 C8 C7 118.6(6) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C10 C9 C8 119.1(5) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C9 C10 C11 119.2(5) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
N2 C11 C10 123.0(5) . . ?
N2 C11 H11 118.5 . . ?
C10 C11 H11 118.5 . . ?
N3 C12 C13 122.8(5) . . ?
N3 C12 H12 118.6 . . ?
C13 C12 H12 118.6 . . ?
C14 C13 C12 118.9(5) . . ?
C14 C13 H13 120.5 . . ?
C12 C13 H13 120.5 . . ?
C13 C14 C15 119.6(5) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C16 119.8(6) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
N3 C16 C15 120.6(5) . . ?
N3 C16 C17 115.0(4) . . ?
C15 C16 C17 124.4(5) . . ?
N4 C17 C18 119.8(5) . . ?
N4 C17 C16 113.0(4) . . ?
C18 C17 C16 127.1(5) . . ?
C19 C18 C17 119.0(6) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C18 C19 C20 120.3(5) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C19 C20 C21 119.2(6) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
N4 C21 C20 119.3(5) . . ?
N4 C21 C22 113.6(4) . . ?
C20 C21 C22 127.1(5) . . ?
N5 C22 C23 120.4(5) . . ?
N5 C22 C21 115.1(4) . . ?
C23 C22 C21 124.5(5) . . ?
C22 C23 C24 120.9(6) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C25 C24 C23 118.2(6) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
C24 C25 C26 119.6(6) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
N5 C26 C25 122.5(6) . . ?
N5 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N4 1.961(4) . ?
Ru1 N6 2.033(4) . ?
Ru1 N5 2.066(4) . ?
Ru1 N3 2.084(4) . ?
Ru1 N2 2.084(4) . ?
Ru1 N1 2.103(4) . ?
N1 C1 1.343(6) . ?
N1 C5 1.343(6) . ?
N2 C11 1.341(6) . ?
N2 C7 1.343(6) . ?
N3 C12 1.334(6) . ?
N3 C16 1.373(6) . ?
N4 C17 1.343(6) . ?
N4 C21 1.347(6) . ?
N5 C26 1.337(6) . ?
N5 C22 1.375(6) . ?
N6 O2 1.233(6) . ?
N6 O3 1.247(5) . ?
O1 C6 1.216(6) . ?
O4 Cl1 1.334(10) . ?
O5 Cl1 1.332(7) . ?
O6 Cl1 1.331(9) . ?
O7 Cl1 1.355(6) . ?
C1 C2 1.394(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.357(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.378(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.494(7) . ?
C6 C7 1.506(7) . ?
C7 C8 1.393(7) . ?
C8 C9 1.376(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.368(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(8) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.385(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.360(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.371(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.386(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.484(7) . ?
C17 C18 1.380(7) . ?
C18 C19 1.378(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.379(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.384(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.473(8) . ?
C22 C23 1.374(7) . ?
C23 C24 1.382(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.370(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.386(8) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
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
C10 H10 O3 0.93 2.44 3.272(7) 149.0 3_656
C8 H8 O6 0.93 2.66 3.205(11) 118.5 3_756
C23 H23 O5 0.93 2.40 3.137(9) 135.7 3_655
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Ru1 N1 C1 35.4(4) . . . . ?
N6 Ru1 N1 C1 139(4) . . . . ?
N5 Ru1 N1 C1 -44.9(4) . . . . ?
N3 Ru1 N1 C1 114.9(4) . . . . ?
N2 Ru1 N1 C1 -144.4(4) . . . . ?
N4 Ru1 N1 C5 -140.0(4) . . . . ?
N6 Ru1 N1 C5 -36(5) . . . . ?
N5 Ru1 N1 C5 139.8(4) . . . . ?
N3 Ru1 N1 C5 -60.4(4) . . . . ?
N2 Ru1 N1 C5 40.3(4) . . . . ?
N4 Ru1 N2 C11 31(35) . . . . ?
N6 Ru1 N2 C11 -36.3(4) . . . . ?
N5 Ru1 N2 C11 54.0(4) . . . . ?
N3 Ru1 N2 C11 -124.2(4) . . . . ?
N1 Ru1 N2 C11 145.7(4) . . . . ?
N4 Ru1 N2 C7 -153(42) . . . . ?
N6 Ru1 N2 C7 138.8(4) . . . . ?
N5 Ru1 N2 C7 -130.9(4) . . . . ?
N3 Ru1 N2 C7 50.9(4) . . . . ?
N1 Ru1 N2 C7 -39.2(4) . . . . ?
N4 Ru1 N3 C12 -171.3(4) . . . . ?
N6 Ru1 N3 C12 -82.9(4) . . . . ?
N5 Ru1 N3 C12 -166.4(4) . . . . ?
N2 Ru1 N3 C12 8.6(4) . . . . ?
N1 Ru1 N3 C12 96.2(4) . . . . ?
N4 Ru1 N3 C16 2.1(3) . . . . ?
N6 Ru1 N3 C16 90.4(3) . . . . ?
N5 Ru1 N3 C16 7.0(6) . . . . ?
N2 Ru1 N3 C16 -178.0(3) . . . . ?
N1 Ru1 N3 C16 -90.4(3) . . . . ?
N6 Ru1 N4 C17 -90.9(4) . . . . ?
N5 Ru1 N4 C17 178.7(4) . . . . ?
N3 Ru1 N4 C17 -3.0(3) . . . . ?
N2 Ru1 N4 C17 -159(100) . . . . ?
N1 Ru1 N4 C17 87.1(4) . . . . ?
N6 Ru1 N4 C21 86.1(4) . . . . ?
N5 Ru1 N4 C21 -4.2(3) . . . . ?
N3 Ru1 N4 C21 174.0(4) . . . . ?
N2 Ru1 N4 C21 18(35) . . . . ?
N1 Ru1 N4 C21 -95.9(4) . . . . ?
N4 Ru1 N5 C26 -176.5(5) . . . . ?
N6 Ru1 N5 C26 95.6(4) . . . . ?
N3 Ru1 N5 C26 178.6(4) . . . . ?
N2 Ru1 N5 C26 3.6(4) . . . . ?
N1 Ru1 N5 C26 -84.2(4) . . . . ?
N4 Ru1 N5 C22 5.8(3) . . . . ?
N6 Ru1 N5 C22 -82.1(3) . . . . ?
N3 Ru1 N5 C22 0.9(6) . . . . ?
N2 Ru1 N5 C22 -174.1(3) . . . . ?
N1 Ru1 N5 C22 98.1(3) . . . . ?
N4 Ru1 N6 O2 -41.6(4) . . . . ?
N5 Ru1 N6 O2 38.6(4) . . . . ?
N3 Ru1 N6 O2 -121.2(4) . . . . ?
N2 Ru1 N6 O2 138.1(4) . . . . ?
N1 Ru1 N6 O2 -146(4) . . . . ?
N4 Ru1 N6 O3 137.9(4) . . . . ?
N5 Ru1 N6 O3 -141.9(4) . . . . ?
N3 Ru1 N6 O3 58.3(4) . . . . ?
N2 Ru1 N6 O3 -42.3(4) . . . . ?
N1 Ru1 N6 O3 34(5) . . . . ?
C5 N1 C1 C2 1.6(7) . . . . ?
Ru1 N1 C1 C2 -173.9(4) . . . . ?
N1 C1 C2 C3 1.6(8) . . . . ?
C1 C2 C3 C4 -1.6(8) . . . . ?
C2 C3 C4 C5 -1.5(8) . . . . ?
C1 N1 C5 C4 -4.9(7) . . . . ?
Ru1 N1 C5 C4 170.6(4) . . . . ?
C1 N1 C5 C6 172.5(5) . . . . ?
Ru1 N1 C5 C6 -12.0(6) . . . . ?
C3 C4 C5 N1 4.9(8) . . . . ?
C3 C4 C5 C6 -172.6(5) . . . . ?
N1 C5 C6 O1 154.4(5) . . . . ?
C4 C5 C6 O1 -28.0(8) . . . . ?
N1 C5 C6 C7 -35.1(7) . . . . ?
C4 C5 C6 C7 142.4(5) . . . . ?
C11 N2 C7 C8 3.0(7) . . . . ?
Ru1 N2 C7 C8 -172.2(4) . . . . ?
C11 N2 C7 C6 -175.0(5) . . . . ?
Ru1 N2 C7 C6 9.8(6) . . . . ?
O1 C6 C7 N2 -152.9(5) . . . . ?
C5 C6 C7 N2 36.5(7) . . . . ?
O1 C6 C7 C8 29.0(8) . . . . ?
C5 C6 C7 C8 -141.5(5) . . . . ?
N2 C7 C8 C9 -2.9(9) . . . . ?
C6 C7 C8 C9 175.1(5) . . . . ?
C7 C8 C9 C10 0.4(9) . . . . ?
C8 C9 C10 C11 1.8(9) . . . . ?
C7 N2 C11 C10 -0.6(7) . . . . ?
Ru1 N2 C11 C10 174.8(4) . . . . ?
C9 C10 C11 N2 -1.8(9) . . . . ?
C16 N3 C12 C13 3.3(7) . . . . ?
Ru1 N3 C12 C13 176.4(4) . . . . ?
N3 C12 C13 C14 -0.9(8) . . . . ?
C12 C13 C14 C15 -0.7(9) . . . . ?
C13 C14 C15 C16 -0.2(9) . . . . ?
C12 N3 C16 C15 -4.1(7) . . . . ?
Ru1 N3 C16 C15 -178.3(4) . . . . ?
C12 N3 C16 C17 173.0(4) . . . . ?
Ru1 N3 C16 C17 -1.1(5) . . . . ?
C14 C15 C16 N3 2.7(8) . . . . ?
C14 C15 C16 C17 -174.2(5) . . . . ?
C21 N4 C17 C18 3.7(7) . . . . ?
Ru1 N4 C17 C18 -179.4(4) . . . . ?
C21 N4 C17 C16 -173.7(4) . . . . ?
Ru1 N4 C17 C16 3.2(5) . . . . ?
N3 C16 C17 N4 -1.2(6) . . . . ?
C15 C16 C17 N4 175.8(5) . . . . ?
N3 C16 C17 C18 -178.4(5) . . . . ?
C15 C16 C17 C18 -1.3(8) . . . . ?
N4 C17 C18 C19 -1.9(8) . . . . ?
C16 C17 C18 C19 175.1(5) . . . . ?
C17 C18 C19 C20 -0.4(9) . . . . ?
C18 C19 C20 C21 1.2(9) . . . . ?
C17 N4 C21 C20 -3.0(7) . . . . ?
Ru1 N4 C21 C20 -179.9(4) . . . . ?
C17 N4 C21 C22 178.9(4) . . . . ?
Ru1 N4 C21 C22 1.9(5) . . . . ?
C19 C20 C21 N4 0.5(8) . . . . ?
C19 C20 C21 C22 178.4(5) . . . . ?
C26 N5 C22 C23 -2.9(7) . . . . ?
Ru1 N5 C22 C23 175.1(4) . . . . ?
C26 N5 C22 C21 175.5(4) . . . . ?
Ru1 N5 C22 C21 -6.5(5) . . . . ?
N4 C21 C22 N5 3.3(6) . . . . ?
C20 C21 C22 N5 -174.7(5) . . . . ?
N4 C21 C22 C23 -178.4(5) . . . . ?
C20 C21 C22 C23 3.6(9) . . . . ?
N5 C22 C23 C24 0.9(8) . . . . ?
C21 C22 C23 C24 -177.4(5) . . . . ?
C22 C23 C24 C25 0.7(9) . . . . ?
C23 C24 C25 C26 -0.2(9) . . . . ?
C22 N5 C26 C25 3.4(7) . . . . ?
Ru1 N5 C26 C25 -174.2(4) . . . . ?
C24 C25 C26 N5 -1.9(8) . . . . ?
