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#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/01/7030142.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_7030142
loop_
_publ_author_name
'Delgado, Patricia'
'González-Prieto, Rodrigo'
'Jiménez-Aparicio, Reyes'
'Perles, Josefina'
'Priego, José L'
'Torres, Rosario M.'
_publ_section_title
;
 Comparative study of different methods for the preparation of
 tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and
 magnetic characterization.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11866
_journal_page_last               11874
_journal_paper_doi               10.1039/c2dt30939d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C33 H35 Cl N4 O4.5 Ru2'
_chemical_formula_weight         797.24
_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                113.153(2)
_cell_angle_beta                 93.252(2)
_cell_angle_gamma                110.417(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9941(10)
_cell_length_b                   12.8302(12)
_cell_length_c                   14.9279(14)
_cell_measurement_reflns_used    3666
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.6810
_cell_measurement_theta_min      2.2460
_cell_volume                     1767.9(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.870
_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  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0834
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16550
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.84
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.971
_exptl_absorpt_correction_T_max  0.9622
_exptl_absorpt_correction_T_min  0.7152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.218
_refine_diff_density_min         -1.369
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         8043
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0524
_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)+(0.0873P)²+1.4579P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1698
_reflns_number_gt                4848
_reflns_number_total             8043
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30939d.txt
_cod_data_source_block           pdm47
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C33 H35 Cl N4 O4.50 Ru2'
_cod_database_code               7030142
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
C1 C 0.3340(6) 0.2857(6) 0.3475(5) 0.0372(15) Uani 1 1 d .
C2 C 0.2407(6) 0.1686(6) 0.2618(5) 0.0383(15) Uani 1 1 d .
C3 C 0.1302(8) 0.1652(7) 0.2106(5) 0.054(2) Uani 1 1 d .
H3 H 0.1176 0.2376 0.2252 0.065 Uiso 1 1 calc R
C4 C 0.0383(9) 0.0534(9) 0.1374(7) 0.078(3) Uani 1 1 d .
H4 H -0.0384 0.0506 0.1049 0.094 Uiso 1 1 calc R
C5 C 0.0581(9) -0.0552(8) 0.1113(6) 0.074(3) Uani 1 1 d .
H5 H -0.0053 -0.1296 0.0620 0.089 Uiso 1 1 calc R
C6 C 0.1712(8) -0.0532(7) 0.1581(6) 0.055(2) Uani 1 1 d .
C7 C 0.2603(7) 0.0587(6) 0.2347(5) 0.0468(18) Uani 1 1 d .
H7 H 0.3351 0.0609 0.2691 0.056 Uiso 1 1 calc R
C8 C 0.1951(11) -0.1708(7) 0.1325(7) 0.083(3) Uani 1 1 d .
H8A H 0.1242 -0.2395 0.0788 0.125 Uiso 1 1 calc R
H8B H 0.1980 -0.1866 0.1901 0.125 Uiso 1 1 calc R
H8C H 0.2783 -0.1603 0.1124 0.125 Uiso 1 1 calc R
C9 C 0.6938(6) 0.4961(6) 0.3993(5) 0.0359(15) Uani 1 1 d .
C10 C 0.8025(6) 0.4927(6) 0.3429(5) 0.0414(16) Uani 1 1 d .
C11 C 0.9082(8) 0.4717(9) 0.3799(7) 0.068(3) Uani 1 1 d .
H11 H 0.9069 0.4575 0.4364 0.082 Uiso 1 1 calc R
C12 C 1.0120(9) 0.4719(10) 0.3345(8) 0.085(3) Uani 1 1 d .
H12 H 1.0833 0.4614 0.3606 0.101 Uiso 1 1 calc R
C13 C 1.0085(9) 0.4881(9) 0.2489(8) 0.082(3) Uani 1 1 d .
H13 H 1.0795 0.4885 0.2179 0.098 Uiso 1 1 calc R
C14 C 0.9045(9) 0.5039(8) 0.2060(6) 0.063(2) Uani 1 1 d .
C15 C 0.8022(8) 0.5067(7) 0.2578(6) 0.0519(19) Uani 1 1 d .
H15 H 0.7315 0.5187 0.2326 0.062 Uiso 1 1 calc R
C16 C 0.8997(12) 0.5168(11) 0.1101(8) 0.111(4) Uani 1 1 d .
H16A H 0.9770 0.5114 0.0852 0.167 Uiso 1 1 calc R
H16B H 0.8983 0.5955 0.1224 0.167 Uiso 1 1 calc R
H16C H 0.8209 0.4516 0.0617 0.167 Uiso 1 1 calc R
C17 C 0.2520(6) -0.0255(6) 0.4393(5) 0.0320(14) Uani 1 1 d .
C18 C 0.1170(6) -0.0381(6) 0.4027(5) 0.0359(15) Uani 1 1 d .
C19 C 0.0130(7) -0.1512(6) 0.3454(5) 0.0471(18) Uani 1 1 d .
H19 H 0.0256 -0.2237 0.3300 0.057 Uiso 1 1 calc R
C20 C -0.1105(7) -0.1577(8) 0.3104(6) 0.062(2) Uani 1 1 d .
H20 H -0.1804 -0.2342 0.2721 0.074 Uiso 1 1 calc R
C21 C -0.1285(7) -0.0505(8) 0.3328(6) 0.058(2) Uani 1 1 d .
H21 H -0.2110 -0.0557 0.3081 0.070 Uiso 1 1 calc R
C22 C -0.0283(7) 0.0644(7) 0.3904(6) 0.0488(19) Uani 1 1 d .
C23 C 0.0946(6) 0.0697(7) 0.4259(5) 0.0414(16) Uani 1 1 d .
H23 H 0.1634 0.1465 0.4658 0.050 Uiso 1 1 calc R
C24 C -0.0483(8) 0.1824(8) 0.4152(7) 0.071(3) Uani 1 1 d .
H24A H 0.0330 0.2525 0.4553 0.107 Uiso 1 1 calc R
H24B H -0.1176 0.1831 0.4515 0.107 Uiso 1 1 calc R
H24C H -0.0732 0.1867 0.3544 0.107 Uiso 1 1 calc R
C25 C 0.5609(6) 0.0180(6) 0.3337(5) 0.0328(14) Uani 1 1 d .
C26 C 0.5976(6) 0.0297(7) 0.2427(5) 0.0425(17) Uani 1 1 d .
C27 C 0.6432(9) 0.1447(8) 0.2394(6) 0.061(2) Uani 1 1 d .
H27 H 0.6493 0.2156 0.2939 0.074 Uiso 1 1 calc R
C28 C 0.6788(11) 0.1505(11) 0.1539(8) 0.093(3) Uani 1 1 d .
H28 H 0.7095 0.2264 0.1514 0.111 Uiso 1 1 calc R
C29 C 0.6702(11) 0.0484(11) 0.0735(8) 0.089(3) Uani 1 1 d .
H29 H 0.6961 0.0559 0.0174 0.107 Uiso 1 1 calc R
C30 C 0.6244(10) -0.0653(9) 0.0730(7) 0.071(3) Uani 1 1 d .
C31 C 0.5889(8) -0.0720(8) 0.1592(6) 0.058(2) Uani 1 1 d .
H31 H 0.5580 -0.1487 0.1603 0.070 Uiso 1 1 calc R
C32 C 0.6174(15) -0.1764(11) -0.0144(8) 0.135(5) Uani 1 1 d .
H32A H 0.6452 -0.1542 -0.0665 0.203 Uiso 1 1 calc R
H32B H 0.5275 -0.2379 -0.0382 0.203 Uiso 1 1 calc R
H32C H 0.6750 -0.2093 0.0049 0.203 Uiso 1 1 calc R
C100 C 0.472(2) 0.544(2) 0.1456(13) 0.111(9) Uani 0.50 1 d PD
H10A H 0.4497 0.4812 0.1701 0.133 Uiso 0.50 1 calc PR
H10B H 0.5158 0.5162 0.0917 0.133 Uiso 0.50 1 calc PR
O100 O 0.5605(10) 0.6305(10) 0.2106(9) 0.057(3) Uani 0.50 1 d PD
H100 H 0.5754 0.6919 0.2008 0.086 Uiso 0.50 1 calc PR
N1 N 0.4086(5) 0.2890(5) 0.4208(4) 0.0367(13) Uani 1 1 d .
H1N H 0.4042 0.2200 0.4193 0.044 Uiso 1 1 calc R
N2 N 0.3862(5) 0.4526(5) 0.6117(4) 0.0351(12) Uani 1 1 d .
H2 H 0.3756 0.4192 0.6521 0.042 Uiso 1 1 calc R
N3 N 0.7169(5) 0.1212(5) 0.5854(4) 0.0331(12) Uani 1 1 d .
H3N H 0.7779 0.1939 0.6219 0.040 Uiso 1 1 calc R
N4 N 0.5739(5) 0.1148(5) 0.4137(4) 0.0314(11) Uani 1 1 d .
H4N H 0.6019 0.1857 0.4126 0.038 Uiso 1 1 calc R
O1 O 0.3392(4) 0.3882(4) 0.3469(3) 0.0407(11) Uani 1 1 d .
O2 O 0.6829(4) 0.4481(4) 0.4615(3) 0.0444(12) Uani 1 1 d .
O3 O 0.3415(4) 0.0840(4) 0.4942(3) 0.0371(10) Uani 1 1 d .
O4 O 0.4830(4) 0.0900(4) 0.6673(3) 0.0436(11) Uani 1 1 d .
C101 C 0.359(2) 0.526(2) 0.1004(13) 0.118(10) Uani 0.50 1 d PD
H11A H 0.3140 0.4407 0.0529 0.177 Uiso 0.50 1 calc PR
H11B H 0.3729 0.5774 0.0661 0.177 Uiso 0.50 1 calc PR
H11C H 0.3068 0.5472 0.1481 0.177 Uiso 0.50 1 calc PR
Cl1 Cl 0.61635(17) 0.34176(15) 0.62825(13) 0.0421(4) Uani 1 1 d .
Ru1 Ru 0.53385(5) 0.44868(5) 0.53726(4) 0.03079(16) Uani 1 1 d .
Ru2 Ru 0.53083(5) 0.10497(5) 0.54100(4) 0.03120(16) 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'
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
O1 C1 N1 120.2(6) . .
O1 C1 C2 116.5(6) . .
N1 C1 C2 123.4(6) . .
C3 C2 C7 118.9(7) . .
C3 C2 C1 120.3(6) . .
C7 C2 C1 120.7(6) . .
C2 C3 C4 119.5(7) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C3 C4 C5 121.2(8) . .
C3 C4 H4 119.4 . .
C5 C4 H4 119.4 . .
C6 C5 C4 120.4(8) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C7 117.9(7) . .
C5 C6 C8 121.8(8) . .
C7 C6 C8 120.1(8) . .
C6 C7 C2 121.9(7) . .
C6 C7 H7 119.1 . .
C2 C7 H7 119.1 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O2 C9 N2 120.1(6) . 2_666
O2 C9 C10 117.7(5) . .
N2 C9 C10 122.2(6) 2_666 .
C15 C10 C11 118.8(7) . .
C15 C10 C9 123.0(6) . .
C11 C10 C9 118.2(7) . .
C12 C11 C10 121.2(9) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C11 C12 C13 118.1(9) . .
C11 C12 H12 121.0 . .
C13 C12 H12 121.0 . .
C12 C13 C14 123.7(8) . .
C12 C13 H13 118.2 . .
C14 C13 H13 118.2 . .
C13 C14 C15 115.7(8) . .
C13 C14 C16 123.0(9) . .
C15 C14 C16 121.3(9) . .
C10 C15 C14 122.5(8) . .
C10 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O3 C17 N3 119.7(5) . 2_656
O3 C17 C18 118.2(5) . .
N3 C17 C18 122.1(6) 2_656 .
C19 C18 C23 118.4(6) . .
C19 C18 C17 123.0(6) . .
C23 C18 C17 118.6(6) . .
C18 C19 C20 120.6(7) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C21 C20 C19 119.5(7) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C20 C21 C22 122.1(7) . .
C20 C21 H21 119.0 . .
C22 C21 H21 119.0 . .
C21 C22 C23 117.9(6) . .
C21 C22 C24 122.0(7) . .
C23 C22 C24 120.1(7) . .
C22 C23 C18 121.4(7) . .
C22 C23 H23 119.3 . .
C18 C23 H23 119.3 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O4 C25 N4 120.1(6) 2_656 .
O4 C25 C26 119.3(6) 2_656 .
N4 C25 C26 120.7(6) . .
C31 C26 C27 117.8(7) . .
C31 C26 C25 120.8(7) . .
C27 C26 C25 121.4(6) . .
C28 C27 C26 118.8(8) . .
C28 C27 H27 120.6 . .
C26 C27 H27 120.6 . .
C29 C28 C27 121.6(10) . .
C29 C28 H28 119.2 . .
C27 C28 H28 119.2 . .
C28 C29 C30 121.5(9) . .
C28 C29 H29 119.3 . .
C30 C29 H29 119.3 . .
C29 C30 C31 117.3(8) . .
C29 C30 C32 121.4(9) . .
C31 C30 C32 121.3(10) . .
C26 C31 C30 122.9(8) . .
C26 C31 H31 118.5 . .
C30 C31 H31 118.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O100 C100 C101 135(3) . .
O100 C100 H10A 103.5 . .
C101 C100 H10A 103.5 . .
O100 C100 H10B 103.5 . .
C101 C100 H10B 103.5 . .
H10A C100 H10B 105.3 . .
C100 O100 H100 109.5 . .
C1 N1 Ru1 122.9(4) . .
C1 N1 H1N 118.5 . .
Ru1 N1 H1N 118.5 . .
C9 N2 Ru1 122.6(5) 2_666 .
C9 N2 H2 118.7 2_666 .
Ru1 N2 H2 118.7 . .
C17 N3 Ru2 122.6(4) 2_656 .
C17 N3 H3N 118.7 2_656 .
Ru2 N3 H3N 118.7 . .
C25 N4 Ru2 122.3(4) . .
C25 N4 H4N 118.8 . .
Ru2 N4 H4N 118.8 . .
C1 O1 Ru1 117.9(4) . 2_666
C9 O2 Ru1 118.4(4) . .
C17 O3 Ru2 119.1(3) . .
C25 O4 Ru2 119.0(4) 2_656 .
C100 C101 H11A 109.5 . .
C100 C101 H11B 109.5 . .
H11A C101 H11B 109.5 . .
C100 C101 H11C 109.5 . .
H11A C101 H11C 109.5 . .
H11B C101 H11C 109.5 . .
Ru2 Cl1 Ru1 117.93(6) . .
N1 Ru1 N2 91.1(2) . .
N1 Ru1 O1 178.8(2) . 2_666
N2 Ru1 O1 89.40(19) . 2_666
N1 Ru1 O2 89.3(2) . .
N2 Ru1 O2 178.64(19) . .
O1 Ru1 O2 90.15(19) 2_666 .
N1 Ru1 Ru1 87.46(15) . 2_666
N2 Ru1 Ru1 87.66(15) . 2_666
O1 Ru1 Ru1 91.50(13) 2_666 2_666
O2 Ru1 Ru1 91.08(13) . 2_666
N1 Ru1 Cl1 95.02(15) . .
N2 Ru1 Cl1 92.03(15) . .
O1 Ru1 Cl1 86.02(13) 2_666 .
O2 Ru1 Cl1 89.21(14) . .
Ru1 Ru1 Cl1 177.51(5) 2_666 .
N4 Ru2 N3 90.9(2) . .
N4 Ru2 O3 89.00(18) . .
N3 Ru2 O3 178.58(18) . .
N4 Ru2 O4 178.32(19) . .
N3 Ru2 O4 89.94(19) . .
O3 Ru2 O4 90.15(17) . .
N4 Ru2 Ru2 88.16(14) . 2_656
N3 Ru2 Ru2 87.75(14) . 2_656
O3 Ru2 Ru2 90.84(12) . 2_656
O4 Ru2 Ru2 90.41(13) . 2_656
N4 Ru2 Cl1 89.10(15) . .
N3 Ru2 Cl1 88.92(14) . .
O3 Ru2 Cl1 92.48(12) . .
O4 Ru2 Cl1 92.38(13) . .
Ru2 Ru2 Cl1 175.66(5) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.300(8) .
C1 N1 1.307(8) .
C1 C2 1.487(9) .
C2 C3 1.375(9) .
C2 C7 1.404(9) .
C3 C4 1.380(11) .
C3 H3 0.9300 .
C4 C5 1.390(13) .
C4 H4 0.9300 .
C5 C6 1.378(12) .
C5 H5 0.9300 .
C6 C7 1.389(10) .
C6 C8 1.526(11) .
C7 H7 0.9300 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 O2 1.292(8) .
C9 N2 1.306(7) 2_666
C9 C10 1.503(9) .
C10 C15 1.351(10) .
C10 C11 1.411(10) .
C11 C12 1.360(11) .
C11 H11 0.9300 .
C12 C13 1.372(13) .
C12 H12 0.9300 .
C13 C14 1.393(13) .
C13 H13 0.9300 .
C14 C15 1.403(10) .
C14 C16 1.504(13) .
C15 H15 0.9300 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 O3 1.285(7) .
C17 N3 1.308(7) 2_656
C17 C18 1.483(8) .
C18 C19 1.378(9) .
C18 C23 1.403(9) .
C19 C20 1.388(9) .
C19 H19 0.9300 .
C20 C21 1.370(11) .
C20 H20 0.9300 .
C21 C22 1.375(10) .
C21 H21 0.9300 .
C22 C23 1.391(9) .
C22 C24 1.510(10) .
C23 H23 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 O4 1.292(7) 2_656
C25 N4 1.296(8) .
C25 C26 1.487(9) .
C26 C31 1.373(10) .
C26 C27 1.405(10) .
C27 C28 1.378(12) .
C27 H27 0.9300 .
C28 C29 1.353(14) .
C28 H28 0.9300 .
C29 C30 1.364(13) .
C29 H29 0.9300 .
C30 C31 1.391(12) .
C30 C32 1.479(13) .
C31 H31 0.9300 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C100 O100 1.19(2) .
C100 C101 1.28(3) .
C100 H10A 0.9700 .
C100 H10B 0.9700 .
O100 H100 0.8200 .
N1 Ru1 2.019(5) .
N1 H1N 0.8600 .
N2 C9 1.306(7) 2_666
N2 Ru1 2.022(5) .
N2 H2 0.8600 .
N3 C17 1.308(7) 2_656
N3 Ru2 2.027(5) .
N3 H3N 0.8600 .
N4 Ru2 2.026(5) .
N4 H4N 0.8600 .
O1 Ru1 2.039(4) 2_666
O2 Ru1 2.043(4) .
O3 Ru2 2.047(4) .
O4 C25 1.292(7) 2_656
O4 Ru2 2.048(5) .
C101 H11A 0.9600 .
C101 H11B 0.9600 .
C101 H11C 0.9600 .
Cl1 Ru2 2.5625(17) .
Cl1 Ru1 2.5967(17) .
Ru1 O1 2.039(4) 2_666
Ru1 Ru1 2.2951(10) 2_666
Ru2 Ru2 2.2918(10) 2_656
