#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/43/4314324.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_4314324
loop_
_publ_author_name
'John L. Bear'
'Wei-Zhong Chen'
'Boacheng Han'
'Shurong Huang'
'Li-Lun Wang'
'Antoine Thuriere'
'Eric Van Caemelbecke'
'Karl M. Kadish'
'Tong Ren'
_publ_contact_author_address
; Department of Chemistry
     University of Miami
     PO BOX 249118
     Coral Gables, FL 33124-0431
     USA
;
_publ_contact_author_email       tren@miami.edu
_publ_contact_author_fax         '(305) 284-1880'
_publ_contact_author_name        'Dr. Ren, Tong'
_publ_contact_author_phone       '(305) 284-6617'
_publ_section_title
;
 Cyanide Adducts on the Diruthenium Core of [Ru2(L)4]+ (L = ap, CH3ap,
 Fap, or F3ap). Electronic Properties and Binding Modes of the Bridging
 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6230
_journal_page_last               6240
_journal_paper_doi               10.1021/ic030195m
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C49 H44 N9 Ru2, 2 C H2 Cl2'
_chemical_formula_sum            'C51 H48 Cl4 N9 Ru2'
_chemical_formula_weight         1130.92
_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                 108.710(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.2291(7)
_cell_length_b                   15.6453(5)
_cell_length_c                   17.4068(6)
_cell_measurement_reflns_used    7954
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.53
_cell_measurement_theta_min      1.72
_cell_volume                     4960.0(3)
_computing_cell_refinement       'Bruker SAINT software (Bruker, 1999)'
_computing_data_collection       'Siemens SMART software (Siemens, 1996)'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 1K
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       CCD
_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  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0127
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11467
_diffrn_reflns_theta_full        23.53
_diffrn_reflns_theta_max         23.53
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.9448
_exptl_absorpt_correction_T_min  0.7667
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Very dark olive green'
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Rectangular column'
_exptl_crystal_F_000             2292
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.690
_refine_diff_density_min         -0.733
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       0.00002(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         3677
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.459
_refine_ls_shift/su_mean         0.026
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0434P)²+14.6627P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                3099
_reflns_number_total             3831
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic030195m_4.cif
_cod_data_source_block           k752
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C51 H48 N9 Cl4 Ru2'
_cod_database_code               4314324
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.5000 0.41371(2) 0.2500 0.02754(13) Uani 1 2 d S . .
Ru2 Ru 0.5000 0.26643(2) 0.2500 0.02556(13) Uani 1 2 d S . .
N1 N 0.55996(14) 0.40862(16) 0.16845(16) 0.0314(6) Uani 1 1 d . . .
N2 N 0.59001(14) 0.26869(16) 0.21065(15) 0.0294(6) Uani 1 1 d . . .
N3 N 0.40216(14) 0.40844(16) 0.15188(16) 0.0303(6) Uani 1 1 d . . .
N4 N 0.43264(14) 0.26898(16) 0.13193(15) 0.0305(6) Uani 1 1 d . . .
N5 N 0.492(3) 0.6199(11) 0.239(7) 0.061(15) Uiso 0.25 1 d PD . 1
N5' N 0.505(4) 0.6184(11) 0.235(6) 0.056(13) Uiso 0.25 1 d PD . 2
C1 C 0.56223(18) 0.4745(2) 0.1187(2) 0.0401(8) Uani 1 1 d . . .
H1 H 0.5337 0.5232 0.1191 0.048 Uiso 1 1 calc R . .
C2 C 0.6037(2) 0.4739(3) 0.0683(2) 0.0489(9) Uani 1 1 d . . .
H2 H 0.6031 0.5206 0.0342 0.059 Uiso 1 1 calc R . .
C3 C 0.6470(2) 0.4025(3) 0.0685(2) 0.0498(10) Uani 1 1 d . . .
H3 H 0.6775 0.4012 0.0358 0.060 Uiso 1 1 calc R . .
C4 C 0.6447(2) 0.3343(2) 0.1168(2) 0.0427(9) Uani 1 1 d . . .
H4 H 0.6737 0.2859 0.1169 0.051 Uiso 1 1 calc R . .
C5 C 0.59925(17) 0.3359(2) 0.16630(19) 0.0323(7) Uani 1 1 d . . .
C6 C 0.64044(18) 0.1985(2) 0.22420(19) 0.0327(7) Uani 1 1 d . . .
C7 C 0.71457(18) 0.2081(2) 0.2709(2) 0.0374(8) Uani 1 1 d . . .
C8 C 0.7584(2) 0.1344(3) 0.2873(2) 0.0486(10) Uani 1 1 d . . .
H8 H 0.8081 0.1394 0.3186 0.058 Uiso 1 1 calc R . .
C9 C 0.7311(2) 0.0552(3) 0.2593(2) 0.0562(11) Uani 1 1 d . . .
H9 H 0.7617 0.0069 0.2721 0.067 Uiso 1 1 calc R . .
C10 C 0.6586(2) 0.0470(2) 0.2122(2) 0.0528(10) Uani 1 1 d . . .
H10 H 0.6397 -0.0069 0.1921 0.063 Uiso 1 1 calc R . .
C11 C 0.6136(2) 0.1182(2) 0.1946(2) 0.0422(8) Uani 1 1 d . . .
H11 H 0.5642 0.1123 0.1622 0.051 Uiso 1 1 calc R . .
C12 C 0.74830(19) 0.2928(3) 0.3031(2) 0.0459(9) Uani 1 1 d . . .
H12A H 0.7126 0.3274 0.3176 0.069 Uiso 1 1 calc R . .
H12B H 0.7632 0.3219 0.2617 0.069 Uiso 1 1 calc R . .
H12C H 0.7909 0.2836 0.3506 0.069 Uiso 1 1 calc R . .
C13 C 0.35290(18) 0.4741(2) 0.1334(2) 0.0380(8) Uani 1 1 d . . .
H13 H 0.3628 0.5228 0.1669 0.046 Uiso 1 1 calc R . .
C14 C 0.28978(18) 0.4725(2) 0.0686(2) 0.0427(9) Uani 1 1 d . . .
H14 H 0.2562 0.5181 0.0587 0.051 Uiso 1 1 calc R . .
C15 C 0.27639(19) 0.4014(3) 0.0175(2) 0.0441(9) Uani 1 1 d . . .
H15 H 0.2347 0.3999 -0.0290 0.053 Uiso 1 1 calc R . .
C16 C 0.32413(18) 0.3338(2) 0.0354(2) 0.0378(8) Uani 1 1 d . . .
H16 H 0.3151 0.2859 0.0011 0.045 Uiso 1 1 calc R . .
C17 C 0.38709(17) 0.3360(2) 0.10531(19) 0.0297(7) Uani 1 1 d . . .
C18 C 0.42746(17) 0.1957(2) 0.08138(19) 0.0349(8) Uani 1 1 d . . .
C19 C 0.44074(19) 0.1999(3) 0.0070(2) 0.0430(9) Uani 1 1 d . . .
C20 C 0.4361(2) 0.1230(3) -0.0360(2) 0.0573(11) Uani 1 1 d . . .
H20 H 0.4435 0.1243 -0.0868 0.069 Uiso 1 1 calc R . .
C21 C 0.4213(2) 0.0465(3) -0.0069(3) 0.0603(12) Uani 1 1 d . . .
H21 H 0.4185 -0.0035 -0.0377 0.072 Uiso 1 1 calc R . .
C22 C 0.4106(2) 0.0425(3) 0.0669(3) 0.0532(10) Uani 1 1 d . . .
H22 H 0.4013 -0.0103 0.0875 0.064 Uiso 1 1 calc R . .
C23 C 0.41331(18) 0.1169(2) 0.1111(2) 0.0412(8) Uani 1 1 d . . .
H23 H 0.4055 0.1143 0.1617 0.049 Uiso 1 1 calc R . .
C24 C 0.4599(2) 0.2817(3) -0.0261(2) 0.0553(11) Uani 1 1 d . . .
H24A H 0.4893 0.3170 0.0182 0.083 Uiso 1 1 calc R . .
H24B H 0.4152 0.3120 -0.0554 0.083 Uiso 1 1 calc R . .
H24C H 0.4874 0.2692 -0.0627 0.083 Uiso 1 1 calc R . .
C25 C 0.5000 0.5526(3) 0.2500 0.0371(11) Uani 1 2 d SD . .
C26 C 0.658(4) 0.788(3) 0.3809(15) 0.091(4) Uiso 0.15 1 d PG A 1
H26A H 0.6861 0.8310 0.3661 0.109 Uiso 0.15 1 d PG A 1
H26B H 0.6128 0.7807 0.3366 0.109 Uiso 0.15 1 d PG A 1
Cl1 Cl 0.6367(8) 0.8208(8) 0.4669(9) 0.1002(10) Uiso 0.15 1 d PG A 1
Cl2 Cl 0.7064(7) 0.6912(8) 0.3963(7) 0.1002(10) Uiso 0.15 1 d PG A 1
C27 C 0.654(3) 0.7997(15) 0.3869(6) 0.091(4) Uiso 0.20 1 d PG B 2
H27A H 0.6168 0.7899 0.4114 0.109 Uiso 0.20 1 d PG B 2
H27B H 0.6939 0.8295 0.4256 0.109 Uiso 0.20 1 d PG B 2
Cl3 Cl 0.6185(5) 0.8639(5) 0.3009(6) 0.1002(10) Uiso 0.20 1 d PG B 2
Cl4 Cl 0.6862(5) 0.7012(5) 0.3645(5) 0.1002(10) Uiso 0.20 1 d PG B 2
C28 C 0.6555(11) 0.8677(10) 0.3599(9) 0.091(4) Uiso 0.20 1 d PG C 3
H28A H 0.6475 0.9197 0.3851 0.109 Uiso 0.20 1 d PG C 3
H28B H 0.6991 0.8749 0.3450 0.109 Uiso 0.20 1 d PG C 3
Cl5 Cl 0.5809(6) 0.8498(6) 0.2722(5) 0.1002(10) Uiso 0.20 1 d PG C 3
Cl6 Cl 0.6691(6) 0.7839(7) 0.4298(5) 0.1002(10) Uiso 0.20 1 d PG C 3
C29 C 0.6017(16) 0.799(2) 0.2880(12) 0.091(4) Uiso 0.15 1 d PG D 4
H29A H 0.6447 0.8275 0.2840 0.109 Uiso 0.15 1 d PG D 4
H29B H 0.5893 0.7542 0.2483 0.109 Uiso 0.15 1 d PG D 4
Cl7 Cl 0.5291(5) 0.8724(7) 0.2662(6) 0.1002(10) Uiso 0.15 1 d PG . 4
Cl8 Cl 0.6216(6) 0.7543(7) 0.3848(7) 0.1002(10) Uiso 0.15 1 d PG D 4
C30 C 0.632(3) 0.752(3) 0.3143(11) 0.091(4) Uiso 0.10 1 d PG E 5
H30A H 0.6070 0.6986 0.2953 0.109 Uiso 0.10 1 d PG E 5
H30B H 0.6643 0.7629 0.2838 0.109 Uiso 0.10 1 d PG E 5
Cl9 Cl 0.6829(9) 0.7415(13) 0.4170(10) 0.1002(10) Uiso 0.10 1 d PG E 5
Cl10 Cl 0.5665(9) 0.8336(12) 0.2964(11) 0.1002(10) Uiso 0.10 1 d PG E 5
Cl11 Cl 0.6482(8) 0.8111(9) 0.4456(8) 0.094(4) Uiso 0.15 1 d P F 6
Cl12 Cl 0.6129(11) 0.7635(14) 0.3288(13) 0.106(5) Uiso 0.10 1 d P F 6
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'
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
N1 Ru1 N1 175.65(14) 2_655 . ?
N1 Ru1 N3 90.31(10) 2_655 . ?
N1 Ru1 N3 89.52(10) . . ?
N1 Ru1 N3 89.52(10) 2_655 2_655 ?
N1 Ru1 N3 90.31(10) . 2_655 ?
N3 Ru1 N3 175.50(14) . 2_655 ?
N1 Ru1 C25 92.17(7) 2_655 . ?
N1 Ru1 C25 92.17(7) . . ?
N3 Ru1 C25 92.25(7) . . ?
N3 Ru1 C25 92.25(7) 2_655 . ?
N1 Ru1 Ru2 87.83(7) 2_655 . ?
N1 Ru1 Ru2 87.83(7) . . ?
N3 Ru1 Ru2 87.75(7) . . ?
N3 Ru1 Ru2 87.75(7) 2_655 . ?
C25 Ru1 Ru2 180.0 . . ?
N4 Ru2 N4 177.76(15) . 2_655 ?
N4 Ru2 N2 90.28(10) . 2_655 ?
N4 Ru2 N2 89.68(10) 2_655 2_655 ?
N4 Ru2 N2 89.68(10) . . ?
N4 Ru2 N2 90.28(10) 2_655 . ?
N2 Ru2 N2 178.03(14) 2_655 . ?
N4 Ru2 Ru1 88.88(7) . . ?
N4 Ru2 Ru1 88.88(7) 2_655 . ?
N2 Ru2 Ru1 89.01(7) 2_655 . ?
N2 Ru2 Ru1 89.01(7) . . ?
C1 N1 C5 118.8(3) . . ?
C1 N1 Ru1 122.7(2) . . ?
C5 N1 Ru1 118.4(2) . . ?
C5 N2 C6 119.0(3) . . ?
C5 N2 Ru2 118.9(2) . . ?
C6 N2 Ru2 122.0(2) . . ?
C13 N3 C17 119.0(3) . . ?
C13 N3 Ru1 122.4(2) . . ?
C17 N3 Ru1 118.6(2) . . ?
C17 N4 C18 120.2(3) . . ?
C17 N4 Ru2 119.5(2) . . ?
C18 N4 Ru2 119.9(2) . . ?
N1 C1 C2 123.5(3) . . ?
C1 C2 C3 118.5(3) . . ?
C4 C3 C2 119.4(3) . . ?
C3 C4 C5 120.7(3) . . ?
N2 C5 N1 117.1(3) . . ?
N2 C5 C4 123.9(3) . . ?
N1 C5 C4 119.0(3) . . ?
C11 C6 C7 119.9(3) . . ?
C11 C6 N2 118.6(3) . . ?
C7 C6 N2 121.4(3) . . ?
C8 C7 C6 117.5(3) . . ?
C8 C7 C12 119.3(3) . . ?
C6 C7 C12 123.2(3) . . ?
C9 C8 C7 122.3(4) . . ?
C8 C9 C10 119.6(4) . . ?
C9 C10 C11 119.9(4) . . ?
C10 C11 C6 120.8(3) . . ?
N3 C13 C14 123.1(3) . . ?
C13 C14 C15 118.3(3) . . ?
C16 C15 C14 119.9(3) . . ?
C15 C16 C17 120.2(3) . . ?
N4 C17 N3 116.7(3) . . ?
N4 C17 C16 124.0(3) . . ?
N3 C17 C16 119.3(3) . . ?
C23 C18 C19 120.0(3) . . ?
C23 C18 N4 117.6(3) . . ?
C19 C18 N4 122.3(3) . . ?
C18 C19 C20 117.0(4) . . ?
C18 C19 C24 122.5(3) . . ?
C20 C19 C24 120.5(4) . . ?
C21 C20 C19 122.5(4) . . ?
C20 C21 C22 120.2(4) . . ?
C21 C22 C23 119.5(4) . . ?
C22 C23 C18 120.8(4) . . ?
N5 C25 Ru1 169(4) . . ?
N5' C25 Ru1 163(3) . . ?
Cl1 C26 Cl2 112.6 . . ?
Cl4 C27 Cl3 112.6 . . ?
Cl6 C28 Cl5 112.6 . . ?
Cl7 C29 Cl8 112.6 . . ?
Cl10 C30 Cl9 112.6 . . ?
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 N1 2.098(3) 2_655 ?
Ru1 N1 2.098(3) . ?
Ru1 N3 2.098(3) . ?
Ru1 N3 2.098(3) 2_655 ?
Ru1 C25 2.174(5) . ?
Ru1 Ru2 2.3042(5) . ?
Ru2 N4 2.048(2) . ?
Ru2 N4 2.048(2) 2_655 ?
Ru2 N2 2.056(3) 2_655 ?
Ru2 N2 2.056(3) . ?
N1 C1 1.356(4) . ?
N1 C5 1.373(4) . ?
N2 C5 1.349(4) . ?
N2 C6 1.434(4) . ?
N3 C13 1.364(4) . ?
N3 C17 1.369(4) . ?
N4 C17 1.349(4) . ?
N4 C18 1.430(4) . ?
N5 C25 1.073(11) . ?
N5' C25 1.073(11) . ?
C1 C2 1.361(5) . ?
C2 C3 1.392(5) . ?
C3 C4 1.366(5) . ?
C4 C5 1.411(5) . ?
C6 C11 1.393(5) . ?
C6 C7 1.404(5) . ?
C7 C8 1.402(5) . ?
C7 C12 1.502(5) . ?
C8 C9 1.372(6) . ?
C9 C10 1.379(6) . ?
C10 C11 1.383(5) . ?
C13 C14 1.367(5) . ?
C14 C15 1.394(5) . ?
C15 C16 1.369(5) . ?
C16 C17 1.415(5) . ?
C18 C23 1.397(5) . ?
C18 C19 1.399(5) . ?
C19 C20 1.405(6) . ?
C19 C24 1.498(6) . ?
C20 C21 1.364(7) . ?
C21 C22 1.366(6) . ?
C22 C23 1.387(5) . ?
C26 Cl1 1.7500 . ?
C26 Cl2 1.7500 . ?
C27 Cl4 1.7498 . ?
C27 Cl3 1.7500 . ?
C28 Cl6 1.7500 . ?
C28 Cl5 1.7500 . ?
C29 Cl7 1.7499 . ?
C29 Cl8 1.7500 . ?
C30 Cl10 1.7498 . ?
C30 Cl9 1.7500 . ?
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
N1 Ru1 Ru2 N4 111.80(10) 2_655 . . . ?
N1 Ru1 Ru2 N4 -68.20(10) . . . . ?
N3 Ru1 Ru2 N4 21.41(10) . . . . ?
N3 Ru1 Ru2 N4 -158.59(10) 2_655 . . . ?
C25 Ru1 Ru2 N4 72(100) . . . . ?
N1 Ru1 Ru2 N4 -68.20(10) 2_655 . . 2_655 ?
N1 Ru1 Ru2 N4 111.80(10) . . . 2_655 ?
N3 Ru1 Ru2 N4 -158.59(10) . . . 2_655 ?
N3 Ru1 Ru2 N4 21.41(10) 2_655 . . 2_655 ?
C25 Ru1 Ru2 N4 -108(100) . . . 2_655 ?
N1 Ru1 Ru2 N2 21.50(10) 2_655 . . 2_655 ?
N1 Ru1 Ru2 N2 -158.50(10) . . . 2_655 ?
N3 Ru1 Ru2 N2 -68.90(10) . . . 2_655 ?
N3 Ru1 Ru2 N2 111.10(10) 2_655 . . 2_655 ?
C25 Ru1 Ru2 N2 -18(100) . . . 2_655 ?
N1 Ru1 Ru2 N2 -158.50(10) 2_655 . . . ?
N1 Ru1 Ru2 N2 21.50(10) . . . . ?
N3 Ru1 Ru2 N2 111.10(10) . . . . ?
N3 Ru1 Ru2 N2 -68.90(10) 2_655 . . . ?
C25 Ru1 Ru2 N2 162(100) . . . . ?
N1 Ru1 N1 C1 158.2(2) 2_655 . . . ?
N3 Ru1 N1 C1 70.5(3) . . . . ?
N3 Ru1 N1 C1 -114.0(3) 2_655 . . . ?
C25 Ru1 N1 C1 -21.8(3) . . . . ?
Ru2 Ru1 N1 C1 158.2(3) . . . . ?
N1 Ru1 N1 C5 -22.7(2) 2_655 . . . ?
N3 Ru1 N1 C5 -110.4(2) . . . . ?
N3 Ru1 N1 C5 65.1(2) 2_655 . . . ?
C25 Ru1 N1 C5 157.3(2) . . . . ?
Ru2 Ru1 N1 C5 -22.7(2) . . . . ?
N4 Ru2 N2 C5 60.6(2) . . . . ?
N4 Ru2 N2 C5 -117.2(2) 2_655 . . . ?
N2 Ru2 N2 C5 -28.3(2) 2_655 . . . ?
Ru1 Ru2 N2 C5 -28.3(2) . . . . ?
N4 Ru2 N2 C6 -115.1(2) . . . . ?
N4 Ru2 N2 C6 67.2(2) 2_655 . . . ?
N2 Ru2 N2 C6 156.0(2) 2_655 . . . ?
Ru1 Ru2 N2 C6 156.0(2) . . . . ?
N1 Ru1 N3 C13 68.8(2) 2_655 . . . ?
N1 Ru1 N3 C13 -115.6(2) . . . . ?
N3 Ru1 N3 C13 156.6(2) 2_655 . . . ?
C25 Ru1 N3 C13 -23.4(2) . . . . ?
Ru2 Ru1 N3 C13 156.6(2) . . . . ?
N1 Ru1 N3 C17 -110.6(2) 2_655 . . . ?
N1 Ru1 N3 C17 65.1(2) . . . . ?
N3 Ru1 N3 C17 -22.8(2) 2_655 . . . ?
C25 Ru1 N3 C17 157.2(2) . . . . ?
Ru2 Ru1 N3 C17 -22.8(2) . . . . ?
N4 Ru2 N4 C17 -28.2(2) 2_655 . . . ?
N2 Ru2 N4 C17 60.8(2) 2_655 . . . ?
N2 Ru2 N4 C17 -117.2(2) . . . . ?
Ru1 Ru2 N4 C17 -28.2(2) . . . . ?
N4 Ru2 N4 C18 159.6(2) 2_655 . . . ?
N2 Ru2 N4 C18 -111.4(2) 2_655 . . . ?
N2 Ru2 N4 C18 70.6(2) . . . . ?
Ru1 Ru2 N4 C18 159.6(2) . . . . ?
C5 N1 C1 C2 -2.4(5) . . . . ?
Ru1 N1 C1 C2 176.7(3) . . . . ?
N1 C1 C2 C3 -1.0(6) . . . . ?
C1 C2 C3 C4 2.3(6) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C6 N2 C5 N1 -167.0(3) . . . . ?
Ru2 N2 C5 N1 17.2(4) . . . . ?
C6 N2 C5 C4 15.0(5) . . . . ?
Ru2 N2 C5 C4 -160.8(3) . . . . ?
C1 N1 C5 N2 -173.7(3) . . . . ?
Ru1 N1 C5 N2 7.2(4) . . . . ?
C1 N1 C5 C4 4.4(4) . . . . ?
Ru1 N1 C5 C4 -174.7(2) . . . . ?
C3 C4 C5 N2 174.8(3) . . . . ?
C3 C4 C5 N1 -3.2(5) . . . . ?
C5 N2 C6 C11 -118.0(3) . . . . ?
Ru2 N2 C6 C11 57.7(4) . . . . ?
C5 N2 C6 C7 66.3(4) . . . . ?
Ru2 N2 C6 C7 -118.0(3) . . . . ?
C11 C6 C7 C8 -1.5(5) . . . . ?
N2 C6 C7 C8 174.2(3) . . . . ?
C11 C6 C7 C12 178.2(3) . . . . ?
N2 C6 C7 C12 -6.1(5) . . . . ?
C6 C7 C8 C9 0.2(6) . . . . ?
C12 C7 C8 C9 -179.5(4) . . . . ?
C7 C8 C9 C10 1.0(6) . . . . ?
C8 C9 C10 C11 -0.9(6) . . . . ?
C9 C10 C11 C6 -0.4(6) . . . . ?
C7 C6 C11 C10 1.6(5) . . . . ?
N2 C6 C11 C10 -174.2(3) . . . . ?
C17 N3 C13 C14 -2.2(5) . . . . ?
Ru1 N3 C13 C14 178.4(2) . . . . ?
N3 C13 C14 C15 -2.1(5) . . . . ?
C13 C14 C15 C16 3.3(5) . . . . ?
C14 C15 C16 C17 -0.2(5) . . . . ?
C18 N4 C17 N3 -170.8(3) . . . . ?
Ru2 N4 C17 N3 17.0(4) . . . . ?
C18 N4 C17 C16 12.1(5) . . . . ?
Ru2 N4 C17 C16 -160.1(2) . . . . ?
C13 N3 C17 N4 -171.8(3) . . . . ?
Ru1 N3 C17 N4 7.5(4) . . . . ?
C13 N3 C17 C16 5.3(4) . . . . ?
Ru1 N3 C17 C16 -175.3(2) . . . . ?
C15 C16 C17 N4 172.8(3) . . . . ?
C15 C16 C17 N3 -4.2(5) . . . . ?
C17 N4 C18 C23 -121.3(3) . . . . ?
Ru2 N4 C18 C23 50.9(4) . . . . ?
C17 N4 C18 C19 63.0(4) . . . . ?
Ru2 N4 C18 C19 -124.8(3) . . . . ?
C23 C18 C19 C20 2.5(5) . . . . ?
N4 C18 C19 C20 178.1(3) . . . . ?
C23 C18 C19 C24 -176.9(3) . . . . ?
N4 C18 C19 C24 -1.3(5) . . . . ?
C18 C19 C20 C21 -1.7(6) . . . . ?
C24 C19 C20 C21 177.7(4) . . . . ?
C19 C20 C21 C22 -0.2(6) . . . . ?
C20 C21 C22 C23 1.3(6) . . . . ?
C21 C22 C23 C18 -0.5(5) . . . . ?
C19 C18 C23 C22 -1.5(5) . . . . ?
N4 C18 C23 C22 -177.3(3) . . . . ?
N1 Ru1 C25 N5 77(37) . . . . ?
N3 Ru1 C25 N5 167(37) 2_655 . . . ?
Ru2 Ru1 C25 N5 -64(100) . . . . ?
N1 Ru1 C25 N5' -166(17) 2_655 . . . ?
N3 Ru1 C25 N5' -75(17) . . . . ?
N3 Ru1 C25 N5' 105(17) 2_655 . . . ?
Ru2 Ru1 C25 N5' -126(100) . . . . ?
