#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/88/4308876.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_4308876
loop_
_publ_author_name
'Ho-Chol Chang'
'Katsunori Mochizuki'
'Susumu Kitagawa'
_publ_section_title
;
Substituent-Directed Structural and Physicochemical Controls of Diruthenium
Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3799
_journal_page_last               3809
_journal_paper_doi               10.1021/ic048251m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C30 H30 N2 Na3 O10 Ru2'
_chemical_formula_weight         849.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.90(1)
_cell_angle_beta                 113.13(2)
_cell_angle_gamma                101.25(2)
_cell_formula_units_Z            2
_cell_length_a                   11.568(3)
_cell_length_b                   12.233(4)
_cell_length_c                   13.014(4)
_cell_measurement_reflns_used    3650
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     1621.0(9)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9475
_diffrn_measured_fraction_theta_max 0.9475
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10841
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_exptl_absorpt_coefficient_mu    1.031
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.21
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.536
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     399
_refine_ls_number_reflns         5026
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00319|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0946
_reflns_number_gt                5026
_reflns_number_total             6522
_reflns_threshold_expression     F²>4.0σ(F²)
_cod_data_source_file            ic048251msi20041213_123224_1.cif
_cod_data_source_block           complex4b
_cod_original_cell_volume        1621.1(9)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C30 H30 N2 Na3 O10 Ru2 '
_cod_database_code               4308876
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru(1) Ru 0.03567(4) 0.02334(3) 0.43440(4) 0.0390(1) Uani 1.00 d . . .
Ru(2) Ru -0.10463(5) 0.45222(3) 0.47110(4) 0.0422(1) Uani 1.00 d . . .
Na(1) Na 0.0491(3) 0.2603(2) 0.3502(2) 0.0572(7) Uani 1.00 d . . .
Na(2) Na 0.1058(3) 0.2912(2) 0.6448(2) 0.0541(7) Uani 1.00 d . . .
Na(3) Na -0.2154(3) 0.1718(2) 0.4258(2) 0.0569(7) Uani 1.00 d . . .
O(1) O 0.2094(4) -0.0124(3) 0.4942(4) 0.049(1) Uani 1.00 d . . .
O(2) O 0.1467(4) 0.1846(3) 0.5124(4) 0.046(1) Uani 1.00 d . . .
O(3) O -0.0502(4) -0.1173(3) 0.3119(4) 0.050(1) Uani 1.00 d . . .
O(4) O -0.1165(4) 0.0749(3) 0.3336(3) 0.046(1) Uani 1.00 d . . .
O(5) O -0.1265(5) 0.3310(3) 0.3414(4) 0.050(1) Uani 1.00 d . . .
O(6) O -0.2000(5) 0.5225(3) 0.3433(4) 0.054(1) Uani 1.00 d . . .
O(7) O -0.0905(5) 0.3403(3) 0.5727(3) 0.047(1) Uani 1.00 d . . .
O(8) O -0.1433(5) 0.5418(4) 0.5883(4) 0.053(1) Uani 1.00 d . . .
O(9) O -0.4062(10) 0.2175(9) 0.3490(8) 0.135(3) Uiso 1.00 d . . .
O(10) O 0.109(1) 0.136(1) 0.255(1) 0.204(5) Uani 1.00 d . . .
N(1) N 0.186(1) 0.0503(8) 0.1477(8) 0.103(3) Uani 1.00 d . . .
N(2) N -0.528(1) 0.337(1) 0.277(1) 0.143(4) Uiso 1.00 d . . .
C(1) C 0.3082(6) 0.0809(5) 0.5533(5) 0.047(2) Uani 1.00 d . . .
C(2) C 0.4375(7) 0.0785(8) 0.6035(8) 0.075(2) Uani 1.00 d . . .
C(3) C 0.5325(9) 0.177(1) 0.6630(9) 0.090(3) Uani 1.00 d . . .
C(4) C 0.5007(8) 0.2821(9) 0.6750(8) 0.084(3) Uani 1.00 d . . .
C(5) C 0.3751(7) 0.2854(6) 0.6245(7) 0.067(2) Uani 1.00 d . . .
C(6) C 0.2748(6) 0.1846(5) 0.5629(5) 0.050(2) Uani 1.00 d . . .
C(7) C -0.1668(6) -0.1116(5) 0.2316(5) 0.049(2) Uani 1.00 d . . .
C(8) C -0.2482(9) -0.2030(6) 0.1422(6) 0.066(2) Uani 1.00 d . . .
C(9) C -0.3705(9) -0.1908(8) 0.0695(6) 0.083(2) Uani 1.00 d . . .
C(10) C -0.4093(8) -0.0948(8) 0.0848(7) 0.078(2) Uani 1.00 d . . .
C(11) C -0.3215(7) -0.0038(6) 0.1705(6) 0.062(2) Uani 1.00 d . . .
C(12) C -0.2021(7) -0.0102(5) 0.2450(5) 0.049(2) Uani 1.00 d . . .
C(13) C -0.1856(6) 0.3563(5) 0.2402(5) 0.048(2) Uani 1.00 d . . .
C(14) C -0.2144(8) 0.2862(6) 0.1357(6) 0.060(2) Uani 1.00 d . . .
C(15) C -0.2812(9) 0.3183(8) 0.0344(6) 0.074(2) Uani 1.00 d . . .
C(16) C -0.3205(9) 0.4161(8) 0.0353(7) 0.079(3) Uani 1.00 d . . .
C(17) C -0.2962(8) 0.4856(7) 0.1381(6) 0.067(2) Uani 1.00 d . . .
C(18) C -0.2285(6) 0.4571(5) 0.2398(5) 0.048(1) Uani 1.00 d . . .
C(19) C -0.1054(6) 0.3807(5) 0.6664(5) 0.047(2) Uani 1.00 d . . .
C(20) C -0.0945(7) 0.3234(7) 0.7544(6) 0.061(2) Uani 1.00 d . . .
C(21) C -0.1067(8) 0.3710(7) 0.8472(6) 0.066(2) Uani 1.00 d . . .
C(22) C -0.1330(8) 0.4758(8) 0.8554(7) 0.073(2) Uani 1.00 d . . .
C(23) C -0.1428(8) 0.5326(7) 0.7728(7) 0.068(2) Uani 1.00 d . . .
C(24) C -0.1306(6) 0.4886(5) 0.6757(5) 0.048(2) Uani 1.00 d . . .
C(25) C 0.178(3) 0.046(2) 0.247(2) 0.24(1) Uani 1.00 d . . .
C(26) C 0.137(3) 0.129(2) 0.093(3) 0.30(2) Uani 1.00 d . . .
C(27) C 0.240(3) -0.020(2) 0.101(3) 0.30(2) Uani 1.00 d . . .
C(28) C -0.470(1) 0.2511(9) 0.2598(10) 0.092(3) Uiso 1.00 d . . .
C(29) C -0.561(2) 0.398(2) 0.211(2) 0.197(8) Uiso 1.00 d . . .
C(30) C -0.515(2) 0.356(2) 0.388(2) 0.180(7) Uiso 1.00 d . . .
H(1) H 0.4598 0.0081 0.5962 0.0882 Uiso 1.00 calc . . .
H(2) H 0.6212 0.1754 0.6960 0.1064 Uiso 1.00 calc . . .
H(3) H 0.5676 0.3500 0.7188 0.1001 Uiso 1.00 calc . . .
H(4) H 0.3540 0.3566 0.6305 0.0790 Uiso 1.00 calc . . .
H(5) H -0.2227 -0.2709 0.1302 0.0777 Uiso 1.00 calc . . .
H(6) H -0.4283 -0.2528 0.0073 0.0997 Uiso 1.00 calc . . .
H(7) H -0.4945 -0.0910 0.0374 0.0929 Uiso 1.00 calc . . .
H(8) H -0.3451 0.0659 0.1780 0.0740 Uiso 1.00 calc . . .
H(9) H -0.1886 0.2173 0.1338 0.0721 Uiso 1.00 calc . . .
H(10) H -0.3002 0.2706 -0.0367 0.0880 Uiso 1.00 calc . . .
H(11) H -0.3645 0.4374 -0.0350 0.0934 Uiso 1.00 calc . . .
H(12) H -0.3265 0.5523 0.1378 0.0803 Uiso 1.00 calc . . .
H(13) H -0.0780 0.2504 0.7491 0.0733 Uiso 1.00 calc . . .
H(14) H -0.0970 0.3315 0.9076 0.0789 Uiso 1.00 calc . . .
H(15) H -0.1443 0.5073 0.9201 0.0871 Uiso 1.00 calc . . .
H(16) H -0.1592 0.6059 0.7806 0.0817 Uiso 1.00 calc . . .
H(17) H 0.2085 -0.0022 0.2981 0.2951 Uiso 1.00 calc . . .
H(18) H 0.1760 0.2023 0.1410 0.3554 Uiso 1.00 calc . . .
H(19) H 0.1542 0.1283 0.0262 0.3554 Uiso 1.00 calc . . .
H(20) H 0.0451 0.1104 0.0684 0.3554 Uiso 1.00 calc . . .
H(21) H 0.1732 -0.0684 0.0299 0.3673 Uiso 1.00 calc . . .
H(22) H 0.3056 0.0241 0.0848 0.3673 Uiso 1.00 calc . . .
H(23) H 0.2759 -0.0667 0.1510 0.3673 Uiso 1.00 calc . . .
H(24) H -0.4783 0.2190 0.1862 0.1101 Uiso 1.00 calc . . .
H(25) H -0.5918 0.4546 0.2417 0.2381 Uiso 1.00 calc . . .
H(26) H -0.4899 0.4338 0.1973 0.2381 Uiso 1.00 calc . . .
H(27) H -0.6299 0.3529 0.1408 0.2381 Uiso 1.00 calc . . .
H(28) H -0.5605 0.2889 0.4005 0.2170 Uiso 1.00 calc . . .
H(29) H -0.4259 0.3756 0.4404 0.2170 Uiso 1.00 calc . . .
H(30) H -0.5519 0.4171 0.4008 0.2170 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Na Na 0.036 0.025
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru Ru -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ru(1) Ru(1) O(1) 101.2(1) 2_556 . . yes
Ru(1) Ru(1) O(2) 100.9(1) 2_556 . . yes
Ru(1) Ru(1) O(3) 101.8(1) 2_556 . . yes
Ru(1) Ru(1) O(4) 98.9(1) 2_556 . . yes
O(1) Ru(1) O(2) 82.7(2) . . . yes
O(1) Ru(1) O(3) 93.7(2) . . . yes
O(1) Ru(1) O(4) 159.9(2) . . . yes
O(2) Ru(1) O(3) 157.3(2) . . . yes
O(2) Ru(1) O(4) 93.3(2) . . . yes
O(3) Ru(1) O(4) 82.5(2) . . . yes
Ru(2) Ru(2) O(5) 100.3(1) 2_566 . . yes
Ru(2) Ru(2) O(6) 103.0(1) 2_566 . . yes
Ru(2) Ru(2) O(7) 102.4(1) 2_566 . . yes
Ru(2) Ru(2) O(8) 98.9(1) 2_566 . . yes
O(5) Ru(2) O(6) 82.6(2) . . . yes
O(5) Ru(2) O(7) 90.9(2) . . . yes
O(5) Ru(2) O(8) 160.7(2) . . . yes
O(6) Ru(2) O(7) 154.5(2) . . . yes
O(6) Ru(2) O(8) 95.1(2) . . . yes
O(7) Ru(2) O(8) 82.9(2) . . . yes
O(2) Na(1) O(4) 72.2(1) . . . yes
O(2) Na(1) O(5) 115.7(2) . . . yes
O(2) Na(1) O(8) 105.1(2) . . 2_566 yes
O(2) Na(1) O(10) 87.3(5) . . . yes
O(4) Na(1) O(5) 79.4(2) . . . yes
O(4) Na(1) O(8) 152.3(2) . . 2_566 yes
O(4) Na(1) O(10) 81.4(4) . . . yes
O(5) Na(1) O(8) 77.3(2) . . 2_566 yes
O(5) Na(1) O(10) 143.2(3) . . . yes
O(8) Na(1) O(10) 126.3(4) 2_566 . . yes
O(2) Na(2) O(3) 83.0(2) . . 2_556 yes
O(2) Na(2) O(6) 106.1(2) . . 2_566 yes
O(2) Na(2) O(7) 115.2(2) . . . yes
O(3) Na(2) O(6) 163.5(2) 2_556 . 2_566 yes
O(3) Na(2) O(7) 103.3(2) 2_556 . . yes
O(6) Na(2) O(7) 85.5(2) 2_566 . . yes
O(1) Na(3) O(4) 79.0(2) 2_556 . . yes
O(1) Na(3) O(5) 154.2(2) 2_556 . . yes
O(1) Na(3) O(7) 109.6(2) 2_556 . . yes
O(1) Na(3) O(9) 118.7(3) 2_556 . . yes
O(4) Na(3) O(5) 79.5(2) . . . yes
O(4) Na(3) O(7) 120.4(2) . . . yes
O(4) Na(3) O(9) 128.7(3) . . . yes
O(5) Na(3) O(7) 70.0(1) . . . yes
O(5) Na(3) O(9) 86.0(3) . . . yes
O(7) Na(3) O(9) 99.3(3) . . . yes
Ru(1) O(1) Na(3) 115.0(2) . . 2_556 yes
Ru(1) O(1) C(1) 112.4(3) . . . yes
Na(3) O(1) C(1) 116.3(4) 2_556 . . yes
Ru(1) O(2) Na(1) 94.1(2) . . . yes
Ru(1) O(2) Na(2) 120.2(2) . . . yes
Ru(1) O(2) C(6) 109.5(4) . . . yes
Na(1) O(2) Na(2) 100.8(2) . . . yes
Na(1) O(2) C(6) 125.6(4) . . . yes
Na(2) O(2) C(6) 107.4(4) . . . yes
Ru(1) O(3) Na(2) 120.3(2) . . 2_556 yes
Ru(1) O(3) C(7) 111.5(4) . . . yes
Na(2) O(3) C(7) 102.1(3) 2_556 . . yes
Ru(1) O(4) Na(1) 87.7(2) . . . yes
Ru(1) O(4) Na(3) 116.3(2) . . . yes
Ru(1) O(4) C(12) 111.3(4) . . . yes
Na(1) O(4) Na(3) 93.3(2) . . . yes
Na(1) O(4) C(12) 133.2(3) . . . yes
Na(3) O(4) C(12) 113.1(4) . . . yes
Ru(2) O(5) Na(1) 119.8(2) . . . yes
Ru(2) O(5) Na(3) 91.4(2) . . . yes
Ru(2) O(5) C(13) 111.9(3) . . . yes
Na(1) O(5) Na(3) 93.5(2) . . . yes
Na(1) O(5) C(13) 110.9(4) . . . yes
Na(3) O(5) C(13) 128.3(4) . . . yes
Ru(2) O(6) Na(2) 116.3(2) . . 2_566 yes
Ru(2) O(6) C(18) 111.1(3) . . . yes
Na(2) O(6) C(18) 110.6(3) 2_566 . . yes
Ru(2) O(7) Na(2) 116.5(2) . . . yes
Ru(2) O(7) Na(3) 97.5(2) . . . yes
Ru(2) O(7) C(19) 111.3(3) . . . yes
Na(2) O(7) Na(3) 97.9(2) . . . yes
Na(2) O(7) C(19) 104.4(4) . . . yes
Na(3) O(7) C(19) 129.6(4) . . . yes
Ru(2) O(8) Na(1) 119.2(2) . . 2_566 yes
Ru(2) O(8) C(24) 110.5(4) . . . yes
Na(1) O(8) C(24) 113.0(4) 2_566 . . yes
Na(3) O(9) C(28) 137.3(9) . . . yes
Na(1) O(10) C(25) 153(1) . . . yes
C(25) N(1) C(26) 116(2) . . . yes
C(25) N(1) C(27) 123(2) . . . yes
C(26) N(1) C(27) 120(2) . . . yes
C(28) N(2) C(29) 123(1) . . . yes
C(28) N(2) C(30) 109(1) . . . yes
C(29) N(2) C(30) 125(2) . . . yes
O(1) C(1) C(2) 123.4(6) . . . yes
O(1) C(1) C(6) 116.3(5) . . . yes
C(2) C(1) C(6) 120.3(6) . . . yes
C(1) C(2) C(3) 119.8(8) . . . yes
C(2) C(3) C(4) 120.7(8) . . . yes
C(3) C(4) C(5) 119.8(8) . . . yes
C(4) C(5) C(6) 120.7(8) . . . yes
O(2) C(6) C(1) 119.1(5) . . . yes
O(2) C(6) C(5) 122.2(6) . . . yes
C(1) C(6) C(5) 118.6(6) . . . yes
O(3) C(7) C(8) 121.8(6) . . . yes
O(3) C(7) C(12) 117.1(5) . . . yes
C(8) C(7) C(12) 121.0(7) . . . yes
C(7) C(8) C(9) 117.0(8) . . . yes
C(8) C(9) C(10) 122.7(7) . . . yes
C(9) C(10) C(11) 117.9(8) . . . yes
C(10) C(11) C(12) 122.3(7) . . . yes
O(4) C(12) C(7) 117.2(6) . . . yes
O(4) C(12) C(11) 124.0(6) . . . yes
C(7) C(12) C(11) 118.8(6) . . . yes
O(5) C(13) C(14) 123.9(6) . . . yes
O(5) C(13) C(18) 117.1(5) . . . yes
C(14) C(13) C(18) 118.9(6) . . . yes
C(13) C(14) C(15) 119.4(7) . . . yes
C(14) C(15) C(16) 121.2(7) . . . yes
C(15) C(16) C(17) 120.5(7) . . . yes
C(16) C(17) C(18) 119.7(8) . . . yes
O(6) C(18) C(13) 117.1(5) . . . yes
O(6) C(18) C(17) 122.5(6) . . . yes
C(13) C(18) C(17) 120.3(6) . . . yes
O(7) C(19) C(20) 123.9(6) . . . yes
O(7) C(19) C(24) 117.3(5) . . . yes
C(20) C(19) C(24) 118.8(6) . . . yes
C(19) C(20) C(21) 120.4(7) . . . yes
C(20) C(21) C(22) 120.7(7) . . . yes
C(21) C(22) C(23) 119.9(7) . . . yes
C(22) C(23) C(24) 122.1(8) . . . yes
O(8) C(24) C(19) 117.8(5) . . . yes
O(8) C(24) C(23) 124.2(6) . . . yes
C(19) C(24) C(23) 118.0(6) . . . yes
O(10) C(25) N(1) 101(2) . . . yes
O(9) C(28) N(2) 115(1) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru(1) Ru(1) 2.2540(8) . 2_556 yes
Ru(1) O(1) 2.008(4) . . yes
Ru(1) O(2) 2.020(4) . . yes
Ru(1) O(3) 1.980(4) . . yes
Ru(1) O(4) 2.009(4) . . yes
Ru(2) Ru(2) 2.246(1) . 2_566 yes
Ru(2) O(5) 2.007(4) . . yes
Ru(2) O(6) 1.998(4) . . yes
Ru(2) O(7) 2.001(4) . . yes
Ru(2) O(8) 2.013(4) . . yes
Na(1) O(2) 2.365(5) . . yes
Na(1) O(4) 2.593(5) . . yes
Na(1) O(5) 2.326(5) . . yes
Na(1) O(8) 2.347(5) . 2_566 yes
Na(1) O(10) 2.229(8) . . yes
Na(2) O(2) 2.287(5) . . yes
Na(2) O(3) 2.301(4) . 2_556 yes
Na(2) O(6) 2.285(5) . 2_566 yes
Na(2) O(7) 2.322(5) . . yes
Na(3) O(1) 2.318(4) . 2_556 yes
Na(3) O(4) 2.327(5) . . yes
Na(3) O(5) 2.584(5) . . yes
Na(3) O(7) 2.390(5) . . yes
Na(3) O(9) 2.25(1) . . yes
O(1) C(1) 1.338(7) . . yes
O(2) C(6) 1.366(7) . . yes
O(3) C(7) 1.365(8) . . yes
O(4) C(12) 1.344(7) . . yes
O(5) C(13) 1.331(7) . . yes
O(6) C(18) 1.361(8) . . yes
O(7) C(19) 1.347(7) . . yes
O(8) C(24) 1.349(7) . . yes
O(9) C(28) 1.27(1) . . yes
O(10) C(25) 1.50(3) . . yes
N(1) C(25) 1.33(2) . . yes
N(1) C(26) 1.35(2) . . yes
N(1) C(27) 1.38(2) . . yes
N(2) C(28) 1.40(2) . . yes
N(2) C(29) 1.21(2) . . yes
N(2) C(30) 1.37(2) . . yes
C(1) C(2) 1.385(9) . . yes
C(1) C(6) 1.401(8) . . yes
C(2) C(3) 1.36(1) . . yes
C(3) C(4) 1.41(1) . . yes
C(4) C(5) 1.35(1) . . yes
C(5) C(6) 1.408(10) . . yes
C(7) C(8) 1.381(9) . . yes
C(7) C(12) 1.392(9) . . yes
C(8) C(9) 1.41(1) . . yes
C(9) C(10) 1.36(1) . . yes
C(10) C(11) 1.37(1) . . yes
C(11) C(12) 1.364(9) . . yes
C(13) C(14) 1.396(9) . . yes
C(13) C(18) 1.416(9) . . yes
C(14) C(15) 1.39(1) . . yes
C(15) C(16) 1.36(1) . . yes
C(16) C(17) 1.39(1) . . yes
C(17) C(18) 1.375(9) . . yes
C(19) C(20) 1.390(9) . . yes
C(19) C(24) 1.408(8) . . yes
C(20) C(21) 1.35(1) . . yes
C(21) C(22) 1.38(1) . . yes
C(22) C(23) 1.33(1) . . yes
C(23) C(24) 1.383(9) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Na(1) O(4) 2.593(5) . . ?
Na(3) O(5) 2.584(5) . . ?
Ru(1) O(10) 3.16(2) . . ?
Ru(1) Na(1) 3.217(2) . . ?
Ru(1) C(25) 3.45(2) . . ?
Ru(2) Na(3) 3.311(2) . . ?
Na(1) O(4) 2.593(5) . . ?
Na(1) C(13) 3.065(7) . . ?
Na(1) C(24) 3.131(7) . 2_566 ?
Na(1) C(14) 3.330(8) . . ?
Na(1) C(6) 3.350(7) . . ?
Na(1) C(23) 3.379(8) . 2_566 ?
Na(1) Na(3) 3.582(4) . . ?
Na(1) Na(2) 3.584(4) . . ?
Na(2) C(7) 2.911(6) . 2_556 ?
Na(2) C(19) 2.959(7) . . ?
Na(2) C(6) 2.993(7) . . ?
Na(2) C(18) 3.043(6) . 2_566 ?
Na(2) C(8) 3.064(8) . 2_556 ?
Na(2) C(20) 3.221(8) . . ?
Na(2) C(5) 3.242(8) . . ?
Na(2) C(17) 3.346(8) . 2_566 ?
Na(2) Na(3) 3.554(4) . . ?
Na(3) O(5) 2.584(5) . . ?
Na(3) C(12) 3.110(7) . . ?
Na(3) C(1) 3.149(6) . 2_556 ?
Na(3) C(28) 3.30(1) . . ?
Na(3) C(11) 3.349(8) . . ?
Na(3) C(19) 3.411(7) . . ?
Na(3) C(2) 3.465(9) . 2_556 ?
Na(3) C(13) 3.565(6) . . ?
O(1) C(25) 3.28(2) . . ?
O(2) O(10) 3.17(1) . . ?
O(3) C(25) 3.43(2) . . ?
O(3) C(20) 3.487(9) . 2_556 ?
O(4) O(5) 3.148(5) . . ?
O(4) O(10) 3.16(1) . . ?
O(5) O(9) 3.31(1) . . ?
O(5) C(28) 3.57(1) . . ?
O(6) C(5) 3.477(9) . 2_566 ?
O(7) O(9) 3.54(1) . . ?
C(13) C(28) 3.41(1) . . ?
C(17) C(29) 3.56(2) . . ?
C(18) C(28) 3.49(1) . . ?
