#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:31:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179144 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/05/4310510.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_4310510
loop_
_publ_author_name
'Nripen Chanda'
'Shaikh M. Mobin'
'Vedavati G. Puranik'
'Anindya Datta'
'Mark Niemeyer'
'Goutam Kumar Lahiri'
_publ_section_title
;
 Stepwise Synthesis of [Ru(trpy)(L)(X)]n+ (trpy = 2,2':6',2''-Terpyridine;
 L = 2,2'-Dipyridylamine; X = Cl-, H2O, NO2-, NO+, O2-). Crystal
 Structure, Spectral, Electron-Transfer, and Photophysical Aspects
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1056
_journal_page_last               1064
_journal_paper_doi               10.1021/ic034902n
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C25 H20 Cl N7 O6 Ru'
_chemical_formula_weight         651.00
_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                90.000(8)
_cell_angle_beta                 115.326(9)
_cell_angle_gamma                90.000(6)
_cell_formula_units_Z            4
_cell_length_a                   12.6010(11)
_cell_length_b                   14.9180(9)
_cell_length_c                   14.360(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.5500
_cell_measurement_theta_min      5.8300
_cell_volume                     2440.0(5)
_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 0.888
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  Enraf-Nonius_CAD-4
_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     0.70930
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3960
_diffrn_reflns_theta_full        24.92
_diffrn_reflns_theta_max         24.92
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        '<3% '
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.988
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
psi-scan (North, Philips & Mathews, 1968)
;
_exptl_crystal_colour            'Brownish Red'
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         3960
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0239P)²+2.7676P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                3557
_reflns_number_total             3960
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034902nsi20030730_102054.cif
_cod_data_source_block           results
_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.

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^)+(0.0239P)^2^+2.7676P] 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^)+(0.0239P)^2^+2.7676P] 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        2440.0(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4310510
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
Ru Ru 0.868354(18) 0.139188(15) 0.670137(17) 0.02094(7) Uani 1 d . . .
Cl Cl 1.64412(7) 0.15506(6) 0.99058(6) 0.0429(2) Uani 1 d . . .
N1 N 0.7589(2) 0.28492(18) 0.7659(2) 0.0313(6) Uani 1 d . . .
N2 N 0.6927(2) 0.16594(16) 0.64621(18) 0.0262(5) Uani 1 d . . .
N3 N 0.88650(19) 0.27951(15) 0.68472(17) 0.0244(5) Uani 1 d . . .
N4 N 0.9467(2) 0.12582(15) 0.82972(18) 0.0258(5) Uani 1 d . . .
N5 N 1.0329(2) 0.11855(15) 0.69541(18) 0.0238(5) Uani 1 d . . .
N6 N 0.8539(2) 0.14504(16) 0.51965(18) 0.0265(5) Uani 1 d . . .
N7 N 0.8454(2) 0.00405(16) 0.65747(19) 0.0286(6) Uani 1 d . . .
O1 O 0.9082(2) -0.04724(15) 0.72773(19) 0.0479(6) Uani 1 d . . .
O2 O 0.7685(2) -0.03167(16) 0.57785(19) 0.0467(6) Uani 1 d . . .
O3 O 1.5211(3) 0.1451(3) 0.9411(3) 0.0967(12) Uani 1 d . . .
O4 O 1.6852(3) 0.2202(3) 0.9412(3) 0.1049(14) Uani 1 d . . .
O5 O 1.7013(4) 0.0743(2) 0.9956(5) 0.142(2) Uani 1 d . . .
O6 O 1.6738(3) 0.1890(3) 1.0894(3) 0.1067(14) Uani 1 d . . .
C1 C 0.6688(2) 0.22812(19) 0.7022(2) 0.0271(6) Uani 1 d . . .
C2 C 0.5999(3) 0.1185(2) 0.5775(3) 0.0343(7) Uani 1 d . . .
C3 C 0.4871(3) 0.1293(2) 0.5667(3) 0.0411(8) Uani 1 d . . .
C4 C 0.4659(3) 0.1898(2) 0.6298(3) 0.0405(8) Uani 1 d . . .
C5 C 0.5568(3) 0.2390(2) 0.6987(3) 0.0334(7) Uani 1 d . . .
C6 C 0.8390(2) 0.3271(2) 0.7369(2) 0.0272(6) Uani 1 d . . .
C7 C 0.8656(3) 0.4171(2) 0.7605(3) 0.0404(8) Uani 1 d . . .
C8 C 0.9338(3) 0.4613(2) 0.7228(3) 0.0451(9) Uani 1 d . . .
C9 C 0.9761(3) 0.4150(2) 0.6627(3) 0.0394(8) Uani 1 d . . .
C10 C 0.9528(3) 0.3256(2) 0.6471(2) 0.0307(7) Uani 1 d . . .
C11 C 1.0659(2) 0.11209(19) 0.8694(2) 0.0277(6) Uani 1 d . . .
C12 C 0.8971(3) 0.1248(2) 0.8961(2) 0.0306(7) Uani 1 d . . .
C13 C 0.9603(3) 0.1126(2) 1.0003(2) 0.0361(7) Uani 1 d . . .
C14 C 1.0793(3) 0.1008(2) 1.0400(2) 0.0380(8) Uani 1 d . . .
C15 C 1.1332(3) 0.1004(2) 0.9741(2) 0.0345(7) Uani 1 d . . .
C16 C 1.1147(2) 0.10754(19) 0.7931(2) 0.0277(6) Uani 1 d . . .
C17 C 1.2305(3) 0.0919(2) 0.8122(3) 0.0390(8) Uani 1 d . . .
C18 C 1.2599(3) 0.0870(3) 0.7303(3) 0.0445(9) Uani 1 d . . .
C19 C 1.1748(3) 0.0967(2) 0.6302(3) 0.0360(7) Uani 1 d . . .
C20 C 1.0600(3) 0.11317(19) 0.6137(2) 0.0268(6) Uani 1 d . . .
C21 C 0.9583(3) 0.12768(19) 0.5144(2) 0.0272(6) Uani 1 d . . .
C22 C 0.9664(3) 0.1273(2) 0.4208(3) 0.0366(8) Uani 1 d . . .
C23 C 0.8678(3) 0.1447(3) 0.3314(3) 0.0445(8) Uani 1 d . . .
C24 C 0.7648(3) 0.1639(3) 0.3368(3) 0.0455(9) Uani 1 d . . .
C25 C 0.7601(3) 0.1638(2) 0.4311(2) 0.0359(7) Uani 1 d . . .
H9 H 1.018(3) 0.440(2) 0.638(2) 0.033(9) Uiso 1 d . . .
H17 H 1.282(3) 0.083(2) 0.875(2) 0.024(8) Uiso 1 d . . .
H2 H 0.619(3) 0.076(2) 0.537(2) 0.031(8) Uiso 1 d . . .
H12 H 0.818(3) 0.134(2) 0.869(2) 0.030(8) Uiso 1 d . . .
H4 H 0.390(3) 0.200(2) 0.622(3) 0.041(9) Uiso 1 d . . .
H10 H 0.981(3) 0.289(2) 0.609(2) 0.037(9) Uiso 1 d . . .
H24 H 0.700(3) 0.180(2) 0.284(3) 0.043(10) Uiso 1 d . . .
H22 H 1.034(3) 0.113(2) 0.423(3) 0.052(11) Uiso 1 d . . .
H14 H 1.123(3) 0.089(2) 1.110(3) 0.041(9) Uiso 1 d . . .
H18 H 1.335(3) 0.073(2) 0.742(3) 0.042(9) Uiso 1 d . . .
H25 H 0.689(3) 0.179(2) 0.438(3) 0.043(9) Uiso 1 d . . .
H19 H 1.191(3) 0.093(2) 0.575(3) 0.039(9) Uiso 1 d . . .
H23 H 0.871(3) 0.144(2) 0.269(3) 0.050(10) Uiso 1 d . . .
H13 H 0.920(3) 0.114(2) 1.040(3) 0.041(10) Uiso 1 d . . .
H15 H 1.211(3) 0.090(2) 0.999(3) 0.044(10) Uiso 1 d . . .
H3 H 0.427(3) 0.097(2) 0.519(3) 0.047(10) Uiso 1 d . . .
H5 H 0.545(3) 0.283(2) 0.739(3) 0.041(10) Uiso 1 d . . .
H7 H 0.836(3) 0.441(3) 0.796(3) 0.058(12) Uiso 1 d . . .
H1 H 0.742(3) 0.314(2) 0.803(3) 0.035(10) Uiso 1 d . . .
H8 H 0.946(3) 0.518(3) 0.735(3) 0.057(12) Uiso 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'
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'
Cl Cl 0.1484 0.1585 '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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Ru N7 87.71(9) . . ?
N5 Ru N4 79.41(9) . . ?
N7 Ru N4 89.19(9) . . ?
N5 Ru N6 79.41(9) . . ?
N7 Ru N6 90.17(10) . . ?
N4 Ru N6 158.82(9) . . ?
N5 Ru N3 94.36(9) . . ?
N7 Ru N3 177.74(9) . . ?
N4 Ru N3 90.32(9) . . ?
N6 Ru N3 91.09(9) . . ?
N5 Ru N2 177.85(9) . . ?
N7 Ru N2 94.18(9) . . ?
N4 Ru N2 99.58(9) . . ?
N6 Ru N2 101.58(9) . . ?
N3 Ru N2 83.74(9) . . ?
O5 Cl O6 110.7(3) . . ?
O5 Cl O3 111.6(2) . . ?
O6 Cl O3 108.0(2) . . ?
O5 Cl O4 109.1(3) . . ?
O6 Cl O4 105.2(3) . . ?
O3 Cl O4 112.1(2) . . ?
C6 N1 C1 124.5(3) . . ?
C6 N1 H1 113(3) . . ?
C1 N1 H1 114(3) . . ?
C1 N2 C2 116.8(3) . . ?
C1 N2 Ru 121.10(19) . . ?
C2 N2 Ru 122.1(2) . . ?
C6 N3 C10 116.7(2) . . ?
C6 N3 Ru 121.67(19) . . ?
C10 N3 Ru 121.47(19) . . ?
C12 N4 C11 117.4(3) . . ?
C12 N4 Ru 129.5(2) . . ?
C11 N4 Ru 112.97(18) . . ?
C16 N5 C20 121.9(2) . . ?
C16 N5 Ru 119.10(19) . . ?
C20 N5 Ru 118.93(19) . . ?
C25 N6 C21 117.6(2) . . ?
C25 N6 Ru 129.7(2) . . ?
C21 N6 Ru 112.76(18) . . ?
O1 N7 O2 116.9(3) . . ?
O1 N7 Ru 121.4(2) . . ?
O2 N7 Ru 121.7(2) . . ?
N2 C1 N1 118.9(2) . . ?
N2 C1 C5 122.6(3) . . ?
N1 C1 C5 118.5(3) . . ?
N2 C2 C3 123.2(3) . . ?
N2 C2 H2 115.0(18) . . ?
C3 C2 H2 121.9(18) . . ?
C2 C3 C4 119.0(3) . . ?
C2 C3 H3 120(2) . . ?
C4 C3 H3 121(2) . . ?
C5 C4 C3 119.2(3) . . ?
C5 C4 H4 121(2) . . ?
C3 C4 H4 120(2) . . ?
C4 C5 C1 119.0(3) . . ?
C4 C5 H5 122(2) . . ?
C1 C5 H5 119(2) . . ?
N3 C6 C7 121.8(3) . . ?
N3 C6 N1 118.6(3) . . ?
C7 C6 N1 119.5(3) . . ?
C8 C7 C6 119.8(3) . . ?
C8 C7 H7 124(3) . . ?
C6 C7 H7 116(3) . . ?
C7 C8 C9 118.9(3) . . ?
C7 C8 H8 119(3) . . ?
C9 C8 H8 122(3) . . ?
C10 C9 C8 118.6(3) . . ?
C10 C9 H9 120(2) . . ?
C8 C9 H9 121(2) . . ?
N3 C10 C9 123.8(3) . . ?
N3 C10 H10 113(2) . . ?
C9 C10 H10 124(2) . . ?
N4 C11 C15 121.4(3) . . ?
N4 C11 C16 115.4(2) . . ?
C15 C11 C16 123.2(3) . . ?
N4 C12 C13 123.1(3) . . ?
N4 C12 H12 116.8(19) . . ?
C13 C12 H12 120.1(19) . . ?
C14 C13 C12 119.4(3) . . ?
C14 C13 H13 123(2) . . ?
C12 C13 H13 118(2) . . ?
C13 C14 C15 119.2(3) . . ?
C13 C14 H14 121(2) . . ?
C15 C14 H14 120(2) . . ?
C14 C15 C11 119.4(3) . . ?
C14 C15 H15 120(2) . . ?
C11 C15 H15 120(2) . . ?
N5 C16 C17 119.9(3) . . ?
N5 C16 C11 113.1(2) . . ?
C17 C16 C11 126.9(3) . . ?
C18 C17 C16 119.0(3) . . ?
C18 C17 H17 121.7(19) . . ?
C16 C17 H17 119.3(19) . . ?
C17 C18 C19 120.6(3) . . ?
C17 C18 H18 120(2) . . ?
C19 C18 H18 120(2) . . ?
C20 C19 C18 119.0(3) . . ?
C20 C19 H19 118(2) . . ?
C18 C19 H19 123(2) . . ?
N5 C20 C19 119.5(3) . . ?
N5 C20 C21 113.2(2) . . ?
C19 C20 C21 127.3(3) . . ?
N6 C21 C22 121.4(3) . . ?
N6 C21 C20 115.6(2) . . ?
C22 C21 C20 123.0(3) . . ?
C23 C22 C21 119.4(3) . . ?
C23 C22 H22 124(3) . . ?
C21 C22 H22 117(3) . . ?
C24 C23 C22 119.2(3) . . ?
C24 C23 H23 120(2) . . ?
C22 C23 H23 121(2) . . ?
C23 C24 C25 119.8(3) . . ?
C23 C24 H24 124(2) . . ?
C25 C24 H24 116(2) . . ?
N6 C25 C24 122.6(3) . . ?
N6 C25 H25 115(2) . . ?
C24 C25 H25 122(2) . . ?
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
Ru N5 1.970(2) . ?
Ru N7 2.034(2) . ?
Ru N4 2.081(2) . ?
Ru N6 2.092(2) . ?
Ru N3 2.106(2) . ?
Ru N2 2.128(2) . ?
Cl O5 1.390(3) . ?
Cl O6 1.398(3) . ?
Cl O3 1.410(3) . ?
Cl O4 1.425(3) . ?
N1 C6 1.396(4) . ?
N1 C1 1.398(4) . ?
N1 H1 0.78(3) . ?
N2 C1 1.343(4) . ?
N2 C2 1.362(4) . ?
N3 C6 1.345(4) . ?
N3 C10 1.359(4) . ?
N4 C12 1.344(4) . ?
N4 C11 1.376(4) . ?
N5 C16 1.349(4) . ?
N5 C20 1.358(4) . ?
N6 C25 1.344(4) . ?
N6 C21 1.374(4) . ?
N7 O1 1.244(3) . ?
N7 O2 1.257(3) . ?
C1 C5 1.400(4) . ?
C2 C3 1.372(4) . ?
C2 H2 0.96(3) . ?
C3 C4 1.384(5) . ?
C3 H3 0.91(4) . ?
C4 C5 1.364(5) . ?
C4 H4 0.92(3) . ?
C5 H5 0.92(3) . ?
C6 C7 1.390(5) . ?
C7 C8 1.365(5) . ?
C7 H7 0.83(4) . ?
C8 C9 1.379(5) . ?
C8 H8 0.86(4) . ?
C9 C10 1.364(5) . ?
C9 H9 0.83(3) . ?
C10 H10 0.94(3) . ?
C11 C15 1.385(4) . ?
C11 C16 1.470(4) . ?
C12 C13 1.374(4) . ?
C12 H12 0.91(3) . ?
C13 C14 1.369(5) . ?
C13 H13 0.91(3) . ?
C14 C15 1.381(5) . ?
C14 H14 0.93(3) . ?
C15 H15 0.90(3) . ?
C16 C17 1.385(4) . ?
C17 C18 1.379(5) . ?
C17 H17 0.87(3) . ?
C18 C19 1.385(5) . ?
C18 H18 0.91(3) . ?
C19 C20 1.385(4) . ?
C19 H19 0.90(3) . ?
C20 C21 1.469(4) . ?
C21 C22 1.389(4) . ?
C22 C23 1.376(5) . ?
C22 H22 0.86(4) . ?
C23 C24 1.364(5) . ?
C23 H23 0.92(4) . ?
C24 C25 1.380(5) . ?
C24 H24 0.88(4) . ?
C25 H25 0.98(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Ru N2 C1 -13(2) . . . . ?
N7 Ru N2 C1 138.6(2) . . . . ?
N4 Ru N2 C1 48.7(2) . . . . ?
N6 Ru N2 C1 -130.4(2) . . . . ?
N3 Ru N2 C1 -40.5(2) . . . . ?
N5 Ru N2 C2 170(2) . . . . ?
N7 Ru N2 C2 -38.2(2) . . . . ?
N4 Ru N2 C2 -128.1(2) . . . . ?
N6 Ru N2 C2 52.8(2) . . . . ?
N3 Ru N2 C2 142.7(2) . . . . ?
N5 Ru N3 C6 -137.3(2) . . . . ?
N7 Ru N3 C6 19(3) . . . . ?
N4 Ru N3 C6 -57.9(2) . . . . ?
N6 Ru N3 C6 143.2(2) . . . . ?
N2 Ru N3 C6 41.7(2) . . . . ?
N5 Ru N3 C10 38.6(2) . . . . ?
N7 Ru N3 C10 -165(2) . . . . ?
N4 Ru N3 C10 118.0(2) . . . . ?
N6 Ru N3 C10 -40.8(2) . . . . ?
N2 Ru N3 C10 -142.4(2) . . . . ?
N5 Ru N4 C12 -175.5(3) . . . . ?
N7 Ru N4 C12 -87.7(3) . . . . ?
N6 Ru N4 C12 -176.1(2) . . . . ?
N3 Ru N4 C12 90.1(3) . . . . ?
N2 Ru N4 C12 6.4(3) . . . . ?
N5 Ru N4 C11 1.16(19) . . . . ?
N7 Ru N4 C11 88.99(19) . . . . ?
N6 Ru N4 C11 0.6(4) . . . . ?
N3 Ru N4 C11 -93.22(19) . . . . ?
N2 Ru N4 C11 -176.92(19) . . . . ?
N7 Ru N5 C16 -90.5(2) . . . . ?
N4 Ru N5 C16 -0.9(2) . . . . ?
N6 Ru N5 C16 178.9(2) . . . . ?
N3 Ru N5 C16 88.6(2) . . . . ?
N2 Ru N5 C16 61(2) . . . . ?
N7 Ru N5 C20 87.5(2) . . . . ?
N4 Ru N5 C20 177.1(2) . . . . ?
N6 Ru N5 C20 -3.1(2) . . . . ?
N3 Ru N5 C20 -93.4(2) . . . . ?
N2 Ru N5 C20 -121(2) . . . . ?
N5 Ru N6 C25 -176.0(3) . . . . ?
N7 Ru N6 C25 96.4(3) . . . . ?
N4 Ru N6 C25 -175.4(3) . . . . ?
N3 Ru N6 C25 -81.8(3) . . . . ?
N2 Ru N6 C25 2.1(3) . . . . ?
N5 Ru N6 C21 3.22(19) . . . . ?
N7 Ru N6 C21 -84.4(2) . . . . ?
N4 Ru N6 C21 3.8(4) . . . . ?
N3 Ru N6 C21 97.5(2) . . . . ?
N2 Ru N6 C21 -178.72(19) . . . . ?
N5 Ru N7 O1 55.8(2) . . . . ?
N4 Ru N7 O1 -23.6(2) . . . . ?
N6 Ru N7 O1 135.2(2) . . . . ?
N3 Ru N7 O1 -101(2) . . . . ?
N2 Ru N7 O1 -123.2(2) . . . . ?
N5 Ru N7 O2 -123.0(2) . . . . ?
N4 Ru N7 O2 157.6(2) . . . . ?
N6 Ru N7 O2 -43.6(2) . . . . ?
N3 Ru N7 O2 80(2) . . . . ?
N2 Ru N7 O2 58.1(2) . . . . ?
C2 N2 C1 N1 -173.4(3) . . . . ?
Ru N2 C1 N1 9.6(3) . . . . ?
C2 N2 C1 C5 5.9(4) . . . . ?
Ru N2 C1 C5 -171.0(2) . . . . ?
C6 N1 C1 N2 44.3(4) . . . . ?
C6 N1 C1 C5 -135.1(3) . . . . ?
C1 N2 C2 C3 -2.5(5) . . . . ?
Ru N2 C2 C3 174.4(2) . . . . ?
N2 C2 C3 C4 -1.4(5) . . . . ?
C2 C3 C4 C5 2.1(5) . . . . ?
C3 C4 C5 C1 1.2(5) . . . . ?
N2 C1 C5 C4 -5.4(5) . . . . ?
N1 C1 C5 C4 174.0(3) . . . . ?
C10 N3 C6 C7 -6.3(4) . . . . ?
Ru N3 C6 C7 169.8(2) . . . . ?
C10 N3 C6 N1 172.2(3) . . . . ?
Ru N3 C6 N1 -11.7(4) . . . . ?
C1 N1 C6 N3 -43.3(4) . . . . ?
C1 N1 C6 C7 135.2(3) . . . . ?
N3 C6 C7 C8 5.7(5) . . . . ?
N1 C6 C7 C8 -172.8(3) . . . . ?
C6 C7 C8 C9 -0.8(6) . . . . ?
C7 C8 C9 C10 -3.0(6) . . . . ?
C6 N3 C10 C9 2.4(4) . . . . ?
Ru N3 C10 C9 -173.8(3) . . . . ?
C8 C9 C10 N3 2.2(5) . . . . ?
C12 N4 C11 C15 -1.9(4) . . . . ?
Ru N4 C11 C15 -179.1(2) . . . . ?
C12 N4 C11 C16 175.9(3) . . . . ?
Ru N4 C11 C16 -1.3(3) . . . . ?
C11 N4 C12 C13 1.4(4) . . . . ?
Ru N4 C12 C13 177.9(2) . . . . ?
N4 C12 C13 C14 0.0(5) . . . . ?
C12 C13 C14 C15 -0.8(5) . . . . ?
C13 C14 C15 C11 0.2(5) . . . . ?
N4 C11 C15 C14 1.2(5) . . . . ?
C16 C11 C15 C14 -176.5(3) . . . . ?
C20 N5 C16 C17 1.2(4) . . . . ?
Ru N5 C16 C17 179.2(2) . . . . ?
C20 N5 C16 C11 -177.5(2) . . . . ?
Ru N5 C16 C11 0.5(3) . . . . ?
N4 C11 C16 N5 0.5(4) . . . . ?
C15 C11 C16 N5 178.3(3) . . . . ?
N4 C11 C16 C17 -178.0(3) . . . . ?
C15 C11 C16 C17 -0.3(5) . . . . ?
N5 C16 C17 C18 -0.6(5) . . . . ?
C11 C16 C17 C18 177.9(3) . . . . ?
C16 C17 C18 C19 -0.6(6) . . . . ?
C17 C18 C19 C20 1.3(6) . . . . ?
C16 N5 C20 C19 -0.6(4) . . . . ?
Ru N5 C20 C19 -178.6(2) . . . . ?
C16 N5 C20 C21 -179.7(2) . . . . ?
Ru N5 C20 C21 2.3(3) . . . . ?
C18 C19 C20 N5 -0.7(5) . . . . ?
C18 C19 C20 C21 178.3(3) . . . . ?
C25 N6 C21 C22 -1.5(4) . . . . ?
Ru N6 C21 C22 179.2(2) . . . . ?
C25 N6 C21 C20 176.3(3) . . . . ?
Ru N6 C21 C20 -3.0(3) . . . . ?
N5 C20 C21 N6 0.6(4) . . . . ?
C19 C20 C21 N6 -178.4(3) . . . . ?
N5 C20 C21 C22 178.4(3) . . . . ?
C19 C20 C21 C22 -0.6(5) . . . . ?
N6 C21 C22 C23 0.1(5) . . . . ?
C20 C21 C22 C23 -177.6(3) . . . . ?
C21 C22 C23 C24 1.3(5) . . . . ?
C22 C23 C24 C25 -1.2(6) . . . . ?
C21 N6 C25 C24 1.6(5) . . . . ?
Ru N6 C25 C24 -179.2(3) . . . . ?
C23 C24 C25 N6 -0.3(6) . . . . ?
