#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:30:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179331 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/28/4322812.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_4322812
loop_
_publ_author_name
'F. A. Cotton'
'A. Yokochi'
_publ_section_title
;
 Synthesis and Characterization of the Series of Compounds
 Ru2(O2CMe)x(admp)4-xCl (Hadmp = 2-Amino-4,6-dimethylpyridine, x = 3, 2,
 1, 0)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2723
_journal_page_last               2728
_journal_paper_doi               10.1021/ic971428a
_journal_volume                  37
_journal_year                    1998
_chemical_compound_source        synthesis
_chemical_formula_moiety         'Ru2 Cl (O2CCH3)3 (C7H9N2), 3(CH2Cl2)'
_chemical_formula_sum            'C16 H24 Cl7 N2 O6 Ru2'
_chemical_formula_weight         790.7
_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
_cell_angle_alpha                99.927(14)
_cell_angle_beta                 100.222(9)
_cell_angle_gamma                102.075(15)
_cell_formula_units_Z            4
_cell_length_a                   11.578(3)
_cell_length_b                   12.5607(13)
_cell_length_c                   20.903(3)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     2855.3(9)
_computing_cell_refinement       Madnes
_computing_data_collection       Madnes
_computing_data_reduction        Procor
_computing_molecular_graphics    'SHELXTL V5'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Nonius FAST'
_diffrn_measurement_method       'Ellipsoid-mask Fitting'
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            12269
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.18
_diffrn_standards_number         'None (area detector)'
_exptl_absorpt_coefficient_mu    1.746
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Dark Blue'
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.060
_refine_diff_density_min         -1.574
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.061
_refine_ls_goodness_of_fit_obs   1.077
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     723
_refine_ls_number_reflns         6790
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.064
_refine_ls_restrained_S_obs      1.078
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_obs          0.0479
_refine_ls_shift/esd_max         -0.439
_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0528P)²+17.3164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1256
_refine_ls_wR_factor_obs         0.1171
_reflns_number_observed          5854
_reflns_number_total             6791
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic971428a_1.cif
_cod_data_source_block           cmpd_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'Noref' changed to
'noref' 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 1673 2011-04-08 12:14:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+17.3164P] 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^)+(0.0528P)^2^+17.3164P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4322812
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru11 Ru 0.45761(5) 0.01265(4) 0.34489(3) 0.0299(2) Uani 1 d . .
Ru12 Ru 0.54209(5) 0.10600(4) 0.27371(3) 0.0314(2) Uani 1 d . .
Cl1 Cl 0.3610(2) -0.09216(14) 0.41961(9) 0.0403(4) Uani 1 d . .
N11 N 0.6010(5) 0.0901(4) 0.4161(3) 0.0349(14) Uani 1 d . .
H11 H 0.5984(5) 0.0829(4) 0.4560(3) 0.056(10) Uiso 1 calc R .
N12 N 0.7005(5) 0.1721(4) 0.3439(3) 0.0319(13) Uani 1 d . .
C11 C 0.7035(6) 0.1540(5) 0.4067(4) 0.033(2) Uani 1 d . .
C12 C 0.8070(7) 0.1997(6) 0.4581(4) 0.044(2) Uani 1 d . .
H12A H 0.8060(7) 0.1879(6) 0.5008(4) 0.056(10) Uiso 1 calc R .
C13 C 0.9092(7) 0.2614(7) 0.4458(5) 0.052(2) Uani 1 d . .
C14 C 0.9053(8) 0.2739(7) 0.3801(5) 0.053(2) Uani 1 d . .
H14 H 0.9737(8) 0.3152(7) 0.3701(5) 0.056(10) Uiso 1 calc R .
C15 C 0.8041(7) 0.2273(6) 0.3306(4) 0.043(2) Uani 1 d . .
C16 C 0.8042(8) 0.2367(7) 0.2600(5) 0.059(2) Uani 1 d . .
H16A H 0.8800(8) 0.2837(7) 0.2584(5) 0.108(8) Uiso 1 calc R .
H16B H 0.7393(8) 0.2683(7) 0.2437(5) 0.108(8) Uiso 1 calc R .
H16C H 0.7934(8) 0.1639(7) 0.2329(5) 0.108(8) Uiso 1 calc R .
C17 C 1.0218(8) 0.3147(9) 0.5001(5) 0.072(3) Uani 1 d . .
H17A H 1.0487(8) 0.3921(9) 0.4995(5) 0.108(8) Uiso 1 calc R .
H17B H 1.0845(8) 0.2777(9) 0.4928(5) 0.108(8) Uiso 1 calc R .
H17C H 1.0039(8) 0.3081(9) 0.5426(5) 0.108(8) Uiso 1 calc R .
O111 O 0.3742(4) 0.1376(4) 0.3686(2) 0.0366(11) Uani 1 d . .
O112 O 0.4723(4) 0.2379(3) 0.3077(2) 0.0318(11) Uani 1 d . .
C111 C 0.4010(7) 0.2259(5) 0.3463(3) 0.034(2) Uani 1 d . .
C112 C 0.3414(8) 0.3167(6) 0.3664(4) 0.049(2) Uani 1 d . .
H11A H 0.3560(8) 0.3366(6) 0.4141(4) 0.108(8) Uiso 1 calc R .
H11B H 0.2558(8) 0.2914(6) 0.3481(4) 0.108(8) Uiso 1 calc R .
H11C H 0.3740(8) 0.3807(6) 0.3499(4) 0.108(8) Uiso 1 calc R .
O121 O 0.3077(4) -0.0674(4) 0.2691(2) 0.0357(11) Uani 1 d . .
O122 O 0.3869(4) 0.0326(3) 0.2020(2) 0.0370(11) Uani 1 d . .
C121 C 0.3049(7) -0.0406(5) 0.2132(4) 0.038(2) Uani 1 d . .
C122 C 0.1960(8) -0.0983(7) 0.1573(4) 0.053(2) Uani 1 d . .
H12B H 0.1234(8) -0.0913(7) 0.1719(4) 0.108(8) Uiso 1 calc R .
H12C H 0.1947(8) -0.1758(7) 0.1446(4) 0.108(8) Uiso 1 calc R .
H12D H 0.2008(8) -0.0644(7) 0.1197(4) 0.108(8) Uiso 1 calc R .
O131 O 0.5376(4) -0.1112(4) 0.3164(2) 0.0361(11) Uani 1 d . .
O132 O 0.6121(4) -0.0238(4) 0.2426(3) 0.0388(12) Uani 1 d . .
C131 C 0.6003(7) -0.1049(6) 0.2720(4) 0.040(2) Uani 1 d . .
C132 C 0.6610(8) -0.1936(7) 0.2536(5) 0.057(2) Uani 1 d . .
H13A H 0.6156(8) -0.2417(7) 0.2120(5) 0.108(8) Uiso 1 calc R .
H13B H 0.6659(8) -0.2361(7) 0.2876(5) 0.108(8) Uiso 1 calc R .
H13C H 0.7411(8) -0.1609(7) 0.2492(5) 0.108(8) Uiso 1 calc R .
Ru21 Ru 0.40458(7) 0.38332(4) 0.11268(3) 0.0466(2) Uani 1 d . .
Ru22 Ru 0.46413(6) 0.36303(4) 0.21877(3) 0.0344(2) Uani 1 d . .
Cl2 Cl 0.3351(3) 0.4012(2) -0.00280(11) 0.0803(9) Uani 1 d . .
N21 N 0.5650(6) 0.4766(5) 0.1198(3) 0.046(2) Uani 1 d . .
H21 H 0.5796(6) 0.4988(5) 0.0847(3) 0.056(10) Uiso 1 calc R .
N22 N 0.6290(5) 0.4692(4) 0.2289(3) 0.0338(14) Uani 1 d . .
C21 C 0.6561(7) 0.5099(5) 0.1753(4) 0.039(2) Uani 1 d . .
C22 C 0.7684(8) 0.5825(6) 0.1785(4) 0.046(2) Uani 1 d . .
H22A H 0.7858(8) 0.6054(6) 0.1405(4) 0.056(10) Uiso 1 calc R .
C23 C 0.8512(8) 0.6189(7) 0.2374(5) 0.052(2) Uani 1 d . .
C24 C 0.8242(8) 0.5814(7) 0.2923(5) 0.051(2) Uani 1 d . .
H24 H 0.8805(8) 0.6059(7) 0.3328(5) 0.056(10) Uiso 1 calc R .
C25 C 0.7146(7) 0.5078(6) 0.2887(4) 0.038(2) Uani 1 d . .
C26 C 0.6823(8) 0.4678(7) 0.3473(4) 0.050(2) Uani 1 d . .
H26A H 0.6729(8) 0.3886(7) 0.3400(4) 0.108(8) Uiso 1 calc R .
H26B H 0.6076(8) 0.4849(7) 0.3538(4) 0.108(8) Uiso 1 calc R .
H26C H 0.7453(8) 0.5040(7) 0.3861(4) 0.108(8) Uiso 1 calc R .
C27 C 0.9714(9) 0.7029(9) 0.2432(6) 0.075(3) Uani 1 d . .
H27A H 1.0329(9) 0.6905(9) 0.2764(6) 0.108(8) Uiso 1 calc R .
H27B H 0.9621(9) 0.7773(9) 0.2558(6) 0.108(8) Uiso 1 calc R .
H27C H 0.9945(9) 0.6936(9) 0.2011(6) 0.108(8) Uiso 1 calc R .
O211 O 0.3481(5) 0.5193(4) 0.1506(2) 0.0461(14) Uani 1 d . .
O212 O 0.4001(4) 0.4956(4) 0.2541(2) 0.0371(11) Uani 1 d . .
C211 C 0.3580(7) 0.5484(5) 0.2127(4) 0.038(2) Uani 1 d . .
C212 C 0.3187(8) 0.6491(6) 0.2389(4) 0.051(2) Uani 1 d . .
H21A H 0.3785(8) 0.6938(6) 0.2772(4) 0.108(8) Uiso 1 calc R .
H21B H 0.2427(8) 0.6270(6) 0.2513(4) 0.108(8) Uiso 1 calc R .
H21C H 0.3094(8) 0.6916(6) 0.2051(4) 0.108(8) Uiso 1 calc R .
O221 O 0.2347(6) 0.2835(4) 0.1051(2) 0.0512(14) Uani 1 d . .
O222 O 0.2941(5) 0.2610(4) 0.2080(2) 0.0404(12) Uani 1 d . .
C221 C 0.2151(8) 0.2423(6) 0.1538(4) 0.048(2) Uani 1 d . .
C222 C 0.0936(8) 0.1704(7) 0.1486(5) 0.060(2) Uani 1 d . .
H22B H 0.0922(8) 0.1423(7) 0.1884(5) 0.108(8) Uiso 1 calc R .
H22C H 0.0754(8) 0.1091(7) 0.1109(5) 0.108(8) Uiso 1 calc R .
H22D H 0.0342(8) 0.2131(7) 0.1430(5) 0.108(8) Uiso 1 calc R .
O231 O 0.4556(6) 0.2422(4) 0.0785(3) 0.055(2) Uani 1 d . .
O232 O 0.5278(5) 0.2295(3) 0.1828(2) 0.0403(12) Uani 1 d . .
C231 C 0.5067(8) 0.1945(6) 0.1198(4) 0.050(2) Uani 1 d . .
C232 C 0.5449(10) 0.0912(7) 0.0934(5) 0.066(3) Uani 1 d . .
H23A H 0.4758(10) 0.0283(7) 0.0808(5) 0.108(8) Uiso 1 calc R .
H23B H 0.6049(10) 0.0786(7) 0.1274(5) 0.108(8) Uiso 1 calc R .
H23C H 0.5783(10) 0.1007(7) 0.0553(5) 0.108(8) Uiso 1 calc R .
Cl41 Cl 0.0026(14) -0.1023(46) 0.3889(16) 0.123(11) Uani 0.49(7) d P 1
Cl43 Cl 0.0243(36) 0.0479(32) 0.3015(20) 0.169(13) Uani 0.49(7) d P 1
Cl42 Cl -0.0107(22) -0.0453(33) 0.3970(11) 0.137(6) Uani 0.51(7) d P 2
Cl44 Cl 0.0396(19) 0.0492(25) 0.2903(11) 0.103(6) Uani 0.51(7) d P 2
C4 C 0.1039(10) -0.0035(12) 0.3575(7) 0.103(4) Uani 1 d . .
Cl51 Cl 0.8309(41) -0.0765(35) 0.1321(17) 0.121(14) Uani 0.28(9) d P 1
Cl53 Cl 0.7814(44) 0.0058(31) 0.0126(19) 0.098(11) Uani 0.28(9) d P 1
Cl52 Cl 0.8460(14) -0.0893(14) 0.1264(6) 0.092(4) Uani 0.72(9) d P 2
Cl54 Cl 0.8109(30) -0.0014(13) 0.0079(7) 0.090(5) Uani 0.72(9) d P 2
C5 C 0.7821(13) -0.1179(8) 0.0421(5) 0.099(4) Uani 1 d . .
C61 C 0.3979(25) 0.6862(10) 0.0352(7) 0.062(6) Uani 0.72(5) d P 1
Cl61 Cl 0.4528(12) 0.8045(11) 0.0973(9) 0.102(5) Uani 0.72(5) d P 1
Cl62 Cl 0.2661(12) 0.7210(24) -0.0190(7) 0.120(5) Uani 0.72(5) d P 1
C62 C 0.3533(47) 0.6681(53) 0.0439(28) 0.064(16) Uiso 0.28(5) d P 2
Cl63 Cl 0.2793(13) 0.6726(21) -0.0205(13) 0.067(7) Uani 0.28(5) d P 2
Cl64 Cl 0.4576(19) 0.7961(27) 0.1072(20) 0.072(7) Uani 0.28(5) d P 2
C7 C 0.6293(9) 0.8279(8) 0.4640(5) 0.064(2) Uani 1 d . .
Cl71 Cl 0.7766(3) 0.9009(4) 0.4628(3) 0.106(2) Uani 0.780(10) d P 1
Cl72 Cl 0.6137(5) 0.6890(3) 0.4430(3) 0.115(2) Uani 0.780(10) d P 1
Cl73 Cl 0.5329(23) 0.6733(14) 0.4622(10) 0.112(7) Uani 0.220(10) d PU 2
Cl74 Cl 0.7466(24) 0.8031(28) 0.4447(15) 0.169(11) Uani 0.220(10) d PU 2
C81 C 0.0350(22) 0.4497(27) 0.1051(18) 0.044(7) Uani 0.658(7) d PU 1
Cl81 Cl 0.0295(4) 0.4387(3) 0.1712(2) 0.0711(14) Uani 0.658(7) d P 1
Cl82 Cl 0.0497(10) 0.5960(9) 0.0848(5) 0.130(4) Uani 0.658(7) d P 1
Cl85 Cl 0.1050(23) 0.4276(21) 0.0397(14) 0.071(6) Uiso 0.10 d P 1
C82 C 0.0584(16) 0.5987(18) 0.0867(12) 0.000(5) Uiso 0.342(7) d P 2
Cl83 Cl 0.0393(26) 0.4488(27) 0.0959(17) 0.127(10) Uani 0.342(7) d PU 2
Cl84 Cl -0.0169(7) 0.6906(8) 0.0223(5) 0.091(3) Uani 0.342(7) d P 2
C9 C 0.2875(12) 0.6031(9) 0.4103(6) 0.071(3) Uani 0.882(8) d P .
Cl93 Cl 0.2173(26) 0.5262(17) 0.4493(15) 0.076(8) Uani 0.118(8) d PU 1
Cl94 Cl 0.1134(21) 0.4811(22) 0.3085(16) 0.082(9) Uani 0.118(8) d PU 1
Cl91 Cl 0.3170(6) 0.5639(4) 0.4880(2) 0.111(2) Uani 0.882(8) d P 2
Cl92 Cl 0.1406(4) 0.5422(4) 0.3681(3) 0.116(2) Uani 0.882(8) d P 2
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
_geom_angle_publ_flag
N11 Ru11 O131 91.2(2) . . y
N11 Ru11 O111 90.9(2) . . y
O131 Ru11 O111 177.1(2) . . y
N11 Ru11 O121 179.2(2) . . y
O131 Ru11 O121 88.9(2) . . y
O111 Ru11 O121 89.0(2) . . y
N11 Ru11 Ru12 89.1(2) . . y
O131 Ru11 Ru12 88.40(13) . . y
O111 Ru11 Ru12 89.55(12) . . y
O121 Ru11 Ru12 90.10(13) . . y
N11 Ru11 Cl1 92.6(2) . . y
O131 Ru11 Cl1 91.34(14) . . y
O111 Ru11 Cl1 90.64(13) . . y
O121 Ru11 Cl1 88.29(14) . . y
Ru12 Ru11 Cl1 178.37(5) . . y
O132 Ru12 N12 87.6(2) . . y
O132 Ru12 O122 89.4(2) . . y
N12 Ru12 O122 177.0(2) . . y
O132 Ru12 O112 178.6(2) . . y
N12 Ru12 O112 91.4(2) . . y
O122 Ru12 O112 91.6(2) . . y
O132 Ru12 Ru11 90.30(13) . . y
N12 Ru12 Ru11 91.4(2) . . y
O122 Ru12 Ru11 88.43(13) . . y
O112 Ru12 Ru11 88.78(12) . . y
C11 N11 Ru11 124.6(5) . . ?
C15 N12 C11 118.2(6) . . ?
C15 N12 Ru12 123.6(5) . . ?
C11 N12 Ru12 118.1(4) . . ?
N11 C11 N12 116.1(7) . . ?
N11 C11 C12 122.3(7) . . ?
N12 C11 C12 121.6(6) . . ?
C13 C12 C11 120.1(8) . . ?
C12 C13 C14 117.0(8) . . ?
C12 C13 C17 121.9(9) . . ?
C14 C13 C17 121.1(8) . . ?
C15 C14 C13 121.9(7) . . ?
N12 C15 C14 120.9(8) . . ?
N12 C15 C16 118.2(7) . . ?
C14 C15 C16 120.9(7) . . ?
C111 O111 Ru11 118.8(4) . . ?
C111 O112 Ru12 119.0(4) . . ?
O112 C111 O111 123.1(6) . . ?
O112 C111 C112 119.5(6) . . ?
O111 C111 C112 117.4(6) . . ?
C121 O121 Ru11 117.4(4) . . ?
C121 O122 Ru12 120.2(5) . . ?
O122 C121 O121 123.6(7) . . ?
O122 C121 C122 118.3(7) . . ?
O121 C121 C122 118.1(7) . . ?
C131 O131 Ru11 120.4(4) . . ?
C131 O132 Ru12 118.5(4) . . ?
O132 C131 O131 122.1(6) . . ?
O132 C131 C132 118.2(7) . . ?
O131 C131 C132 119.6(6) . . ?
N21 Ru21 O231 91.9(2) . . y
N21 Ru21 O211 90.7(2) . . y
O231 Ru21 O211 176.4(2) . . y
N21 Ru21 O221 179.7(2) . . y
O231 Ru21 O221 87.7(2) . . y
O211 Ru21 O221 89.7(2) . . y
N21 Ru21 Ru22 89.3(2) . . y
O231 Ru21 Ru22 89.2(2) . . y
O211 Ru21 Ru22 88.39(14) . . y
O221 Ru21 Ru22 90.57(14) . . y
N21 Ru21 Cl2 92.2(2) . . y
O231 Ru21 Cl2 90.4(2) . . y
O211 Ru21 Cl2 91.93(15) . . y
O221 Ru21 Cl2 87.9(2) . . y
Ru22 Ru21 Cl2 178.45(6) . . y
O212 Ru22 N22 89.3(2) . . y
O212 Ru22 O232 179.7(2) . . y
N22 Ru22 O232 90.9(2) . . y
O212 Ru22 O222 88.6(2) . . y
N22 Ru22 O222 177.6(2) . . y
O232 Ru22 O222 91.2(2) . . y
O212 Ru22 Ru21 90.23(14) . . y
N22 Ru22 Ru21 91.0(2) . . y
O232 Ru22 Ru21 89.52(14) . . y
O222 Ru22 Ru21 87.97(14) . . y
C21 N21 Ru21 125.8(5) . . ?
C21 N22 C25 117.2(6) . . ?
C21 N22 Ru22 119.1(5) . . ?
C25 N22 Ru22 123.6(5) . . ?
N21 C21 N22 114.6(7) . . ?
N21 C21 C22 123.2(7) . . ?
N22 C21 C22 122.2(7) . . ?
C23 C22 C21 119.6(7) . . ?
C22 C23 C24 118.9(8) . . ?
C22 C23 C27 120.8(8) . . ?
C24 C23 C27 120.3(9) . . ?
C23 C24 C25 121.3(8) . . ?
C24 C25 N22 120.6(7) . . ?
C24 C25 C26 122.5(7) . . ?
N22 C25 C26 116.9(7) . . ?
C211 O211 Ru21 119.9(4) . . ?
C211 O212 Ru22 118.0(4) . . ?
O211 C211 O212 123.3(6) . . ?
O211 C211 C212 118.7(6) . . ?
O212 C211 C212 117.9(7) . . ?
C221 O221 Ru21 118.1(5) . . ?
C221 O222 Ru22 120.2(5) . . ?
O221 C221 O222 123.2(8) . . ?
O221 C221 C222 118.3(7) . . ?
O222 C221 C222 118.5(8) . . ?
C231 O231 Ru21 119.4(5) . . ?
C231 O232 Ru22 118.0(5) . . ?
O231 C231 O232 123.4(7) . . ?
O231 C231 C232 118.5(7) . . ?
O232 C231 C232 118.1(8) . . ?
Cl42 C4 Cl44 106.5(16) . . ?
Cl43 C4 Cl41 110.0(16) . . ?
Cl52 C5 Cl54 112.6(8) . . ?
Cl53 C5 Cl51 106.7(20) . . ?
Cl61 C61 Cl62 102.4(20) . . ?
Cl63 C62 Cl64 124.3(36) . . ?
Cl72 C7 Cl71 110.6(5) . . ?
Cl74 C7 Cl73 101.5(14) . . ?
Cl81 C81 Cl85 147.4(21) . . ?
Cl81 C81 Cl82 118.5(17) . . ?
Cl85 C81 Cl82 82.7(19) . . ?
C81 Cl82 Cl85 44.8(10) . . ?
C81 Cl85 Cl82 52.5(14) . . ?
Cl83 C82 Cl84 139.2(15) . . ?
Cl92 C9 Cl91 110.7(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
Ru11 N11 1.966(6) . y
Ru11 O131 2.027(4) . y
Ru11 O111 2.044(4) . y
Ru11 O121 2.068(5) . y
Ru11 Ru12 2.2767(8) . y
Ru11 Cl1 2.477(2) . y
Ru12 O132 2.027(4) . y
Ru12 N12 2.047(6) . y
Ru12 O122 2.049(5) . y
Ru12 O112 2.063(4) . y
N11 C11 1.353(9) . ?
N12 C15 1.354(9) . ?
N12 C11 1.365(10) . ?
C11 C12 1.402(11) . ?
C12 C13 1.364(11) . ?
C13 C14 1.402(13) . ?
C13 C17 1.512(12) . ?
C14 C15 1.365(12) . ?
C15 C16 1.500(12) . ?
O111 C111 1.276(8) . ?
O112 C111 1.259(8) . ?
C111 C112 1.490(10) . ?
O121 C121 1.268(9) . ?
O122 C121 1.260(9) . ?
C121 C122 1.511(11) . ?
O131 C131 1.279(9) . ?
O132 C131 1.273(8) . ?
C131 C132 1.470(10) . ?
Ru21 N21 1.943(7) . y
Ru21 O231 2.038(5) . y
Ru21 O211 2.039(5) . y
Ru21 O221 2.063(6) . y
Ru21 Ru22 2.2768(9) . y
Ru21 Cl2 2.469(2) . y
Ru22 O212 2.039(4) . y
Ru22 N22 2.040(6) . y
Ru22 O232 2.049(4) . y
Ru22 O222 2.063(5) . y
N21 C21 1.360(10) . ?
N22 C21 1.368(9) . ?
N22 C25 1.389(9) . ?
C21 C22 1.406(11) . ?
C22 C23 1.359(12) . ?
C23 C24 1.376(12) . ?
C23 C27 1.532(13) . ?
C24 C25 1.385(11) . ?
C25 C26 1.479(11) . ?
O211 C211 1.264(9) . ?
O212 C211 1.268(8) . ?
C211 C212 1.483(10) . ?
O221 C221 1.253(10) . ?
O222 C221 1.276(9) . ?
C221 C222 1.479(12) . ?
O231 C231 1.263(10) . ?
O232 C231 1.277(9) . ?
C231 C232 1.504(11) . ?
Cl41 C4 1.82(2) . ?
Cl43 C4 1.66(3) . ?
Cl42 C4 1.72(2) . ?
Cl44 C4 1.77(2) . ?
Cl51 C5 1.81(3) . ?
Cl53 C5 1.77(4) . ?
Cl52 C5 1.729(14) . ?
Cl54 C5 1.73(2) . ?
C61 Cl61 1.72(2) . ?
C61 Cl62 1.91(4) . ?
C62 Cl63 1.48(6) . ?
C62 Cl64 1.92(6) . ?
C7 Cl74 1.56(3) . ?
C7 Cl72 1.687(10) . ?
C7 Cl71 1.767(11) . ?
C7 Cl73 2.02(2) . ?
C81 Cl81 1.42(4) . ?
C81 Cl85 1.72(4) . ?
C81 Cl82 1.94(4) . ?
Cl82 Cl85 2.42(3) . ?
C82 Cl83 1.90(4) . ?
C82 Cl84 2.11(3) . ?
C9 Cl93 1.56(3) . ?
C9 Cl92 1.717(14) . ?
C9 Cl91 1.774(12) . ?
