#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:46:46 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179077 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/39/4303947.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_4303947
loop_
_publ_author_name
'Amnon Herman'
'Joseph M. Tanski'
'Michael F. Tibbetts'
'Craig M. Anderson'
_publ_section_title
;
Synthesis, Characterization, and in Vitro Evaluation of a Potentially
Selective Anticancer, Mixed-Metal [Ruthenium(III)-Platinum(II)]
Trinuclear Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              274
_journal_page_last               280
_journal_paper_doi               10.1021/ic062419h
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C15 H26 Cl10 N4 Na2 O3 Pt Ru2 S2'
_chemical_formula_weight         1172.23
_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                106.517(2)
_cell_angle_beta                 95.159(2)
_cell_angle_gamma                115.745(2)
_cell_formula_units_Z            2
_cell_length_a                   12.526(2)
_cell_length_b                   12.667(2)
_cell_length_c                   17.570(3)
_cell_measurement_reflns_used    928
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      22.87
_cell_measurement_theta_min      2.49
_cell_volume                     2332.8(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      115(2)
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0928
_diffrn_reflns_av_sigmaI/netI    0.2018
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            50545
_diffrn_reflns_theta_full        28.17
_diffrn_reflns_theta_max         28.17
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    4.331
_exptl_absorpt_correction_T_max  0.8810
_exptl_absorpt_correction_T_min  0.6029
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   twinabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         8.659
_refine_diff_density_min         -5.649
_refine_diff_density_rms         0.447
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         33000
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1776
_refine_ls_R_factor_gt           0.1045
_refine_ls_shift/su_max          0.212
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1490P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2570
_refine_ls_wR_factor_ref         0.3003
_reflns_number_gt                17541
_reflns_number_total             10350
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062419h-file004.cif
_cod_data_source_block           ru2ptna_0t
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_original_cell_volume        2332.9(7)
_cod_database_code               4303947
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.56296(5) 0.86784(5) 1.51322(3) 0.01927(14) Uani 1 1 d . . .
Ru1 Ru 0.27466(16) 0.53166(19) 1.10389(10) 0.0709(6) Uani 1 1 d DU . .
Ru2 Ru 0.17018(10) 0.38906(10) 1.62176(7) 0.0218(3) Uani 1 1 d U . .
Cl1 Cl 0.0882(5) 0.5102(7) 1.1256(4) 0.103(2) Uani 1 1 d U . .
Cl2 Cl 0.3243(4) 0.6816(6) 1.0955(3) 0.0906(17) Uani 1 1 d DU . .
Cl3 Cl 0.2296(6) 0.3399(6) 1.1232(4) 0.0996(19) Uani 1 1 d U . .
Cl4 Cl 0.4651(4) 0.5577(5) 1.0919(3) 0.0613(14) Uani 1 1 d U . .
Cl5 Cl 0.6907(3) 1.0396(3) 1.4856(2) 0.0290(8) Uani 1 1 d . . .
Cl6 Cl 0.6623(3) 0.9545(3) 1.6493(2) 0.0319(9) Uani 1 1 d . . .
Cl7 Cl 0.1326(3) 0.5428(3) 1.7064(2) 0.0333(9) Uani 1 1 d U . .
Cl8 Cl 0.3375(3) 0.4507(3) 1.7281(2) 0.0307(8) Uani 1 1 d U . .
Cl9 Cl 0.2235(3) 0.2483(3) 1.5377(2) 0.0282(8) Uani 1 1 d U . .
Cl10 Cl 0.0073(3) 0.3298(3) 1.5142(2) 0.0314(8) Uani 1 1 d U . .
N1 N 0.4727(10) 0.7783(10) 1.3943(7) 0.030(3) Uani 1 1 d . . .
N2 N 0.3621(13) 0.6489(19) 1.2312(9) 0.067(6) Uani 1 1 d . . .
N3 N 0.4435(9) 0.7195(10) 1.5389(6) 0.022(3) Uani 1 1 d . . .
N4 N 0.2852(10) 0.5282(10) 1.5792(7) 0.027(3) Uani 1 1 d . . .
C1 C 0.4206(19) 0.612(2) 1.2697(12) 0.083(9) Uani 1 1 d . . .
H1A H 0.4278 0.5407 1.2413 0.099 Uiso 1 1 calc R . .
C2 C 0.4726(19) 0.6734(17) 1.3501(11) 0.067(6) Uani 1 1 d . . .
H2B H 0.5119 0.6400 1.3773 0.080 Uiso 1 1 calc R . .
C3 C 0.4101(16) 0.817(2) 1.3556(12) 0.065(6) Uani 1 1 d . . .
H4A H 0.4025 0.8889 1.3830 0.078 Uiso 1 1 calc R . .
C4 C 0.355(2) 0.746(2) 1.2710(13) 0.082(8) Uani 1 1 d . . .
H3A H 0.3093 0.7722 1.2420 0.098 Uiso 1 1 calc R . .
C7 C 0.3293(12) 0.6940(12) 1.5339(8) 0.025(3) Uiso 1 1 d . . .
H7A H 0.3006 0.7415 1.5137 0.030 Uiso 1 1 calc R . .
C8 C 0.2517(11) 0.6024(12) 1.5567(8) 0.022(3) Uani 1 1 d . . .
H8A H 0.1716 0.5909 1.5567 0.026 Uiso 1 1 calc R . .
C9 C 0.4028(12) 0.5495(12) 1.5821(8) 0.024(3) Uani 1 1 d . . .
H9A H 0.4309 0.4992 1.5990 0.028 Uiso 1 1 calc R . .
C10 C 0.4792(12) 0.6470(13) 1.5595(8) 0.023(3) Uani 1 1 d . . .
H10A H 0.5601 0.6613 1.5591 0.028 Uiso 1 1 calc R . .
O1S O 0.3292(10) 0.4427(11) 1.3869(7) 0.043(3) Uani 1 1 d . . .
C1S C 0.1398(16) 0.4279(18) 1.3347(11) 0.062(6) Uani 1 1 d . . .
H1SA H 0.1875 0.5145 1.3372 0.093 Uiso 1 1 calc R . .
H1SB H 0.0893 0.4258 1.3743 0.093 Uiso 1 1 calc R . .
H1SC H 0.0870 0.3748 1.2794 0.093 Uiso 1 1 calc R . .
C2S C 0.2237(18) 0.3807(18) 1.3545(10) 0.044(4) Uani 1 1 d . . .
C3S C 0.1535(17) 0.2360(18) 1.3240(10) 0.064(6) Uani 1 1 d . . .
H3SA H 0.2118 0.2041 1.3274 0.096 Uiso 1 1 calc R . .
H3SB H 0.1070 0.2026 1.2671 0.096 Uiso 1 1 calc R . .
H3SC H 0.0972 0.2092 1.3583 0.096 Uiso 1 1 calc R . .
Na1A Na 0.7232(12) 0.748(3) 1.1986(11) 0.042(5) Uani 0.70(7) 1 d P . .
Na1B Na 0.721(2) 0.680(7) 1.175(3) 0.041(17) Uani 0.30(7) 1 d P . .
Na2 Na 0.4152(19) 0.273(2) 0.9741(18) 0.57(3) Uani 1 1 d . . .
S2 S 0.0415(3) 0.2419(3) 1.6676(2) 0.0269(8) Uani 1 1 d D . .
O2 O 0.0914(8) 0.2363(9) 1.7471(5) 0.032(2) Uani 1 1 d D . .
C11 C -0.0274(13) 0.0884(12) 1.5910(9) 0.039(4) Uani 1 1 d D . .
H11A H -0.0904 0.0289 1.6092 0.059 Uiso 1 1 calc R . .
H11B H 0.0352 0.0627 1.5817 0.059 Uiso 1 1 calc R . .
H11C H -0.0648 0.0892 1.5398 0.059 Uiso 1 1 calc R . .
C12 C -0.0892(11) 0.2666(13) 1.6805(8) 0.025(3) Uani 1 1 d D . .
H12A H -0.1505 0.1971 1.6927 0.038 Uiso 1 1 calc R . .
H12B H -0.1250 0.2700 1.6299 0.038 Uiso 1 1 calc R . .
H12C H -0.0627 0.3459 1.7257 0.038 Uiso 1 1 calc R . .
S1 S 0.1978(5) 0.4147(6) 0.9657(3) 0.0772(18) Uani 1 1 d D . .
O1 O 0.2543(11) 0.3338(13) 0.9325(7) 0.091(6) Uani 1 1 d D . .
C5 C 0.0343(17) 0.329(3) 0.931(2) 0.181(16) Uiso 1 1 d D . .
H5B H 0.0031 0.2552 0.9474 0.272 Uiso 1 1 calc R . .
H5D H 0.0103 0.3013 0.8713 0.272 Uiso 1 1 calc R . .
H5E H 0.0000 0.3828 0.9557 0.272 Uiso 1 1 calc R . .
C6 C 0.2441(19) 0.5541(17) 0.9398(14) 0.087(7) Uiso 1 1 d D . .
H6A H 0.3257 0.5808 0.9294 0.131 Uiso 1 1 calc R . .
H6B H 0.2460 0.6215 0.9853 0.131 Uiso 1 1 calc R . .
H6C H 0.1856 0.5353 0.8905 0.131 Uiso 1 1 calc R . .
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Pt Pt -1.7033 8.3905 '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 Pt N3 89.8(4) . . ?
N1 Pt Cl5 90.2(3) . . ?
N3 Pt Cl5 176.9(3) . . ?
N1 Pt Cl6 175.4(3) . . ?
N3 Pt Cl6 86.4(3) . . ?
Cl5 Pt Cl6 93.69(13) . . ?
Cl2 Ru1 N2 80.8(6) . . ?
Cl2 Ru1 Cl4 86.4(2) . . ?
N2 Ru1 Cl4 85.9(4) . . ?
Cl2 Ru1 S1 96.9(2) . . ?
N2 Ru1 S1 175.0(4) . . ?
Cl4 Ru1 S1 89.54(18) . . ?
Cl2 Ru1 Cl1 94.1(3) . . ?
N2 Ru1 Cl1 90.3(4) . . ?
Cl4 Ru1 Cl1 176.1(2) . . ?
S1 Ru1 Cl1 94.3(2) . . ?
Cl2 Ru1 Cl3 174.0(2) . . ?
N2 Ru1 Cl3 95.2(6) . . ?
Cl4 Ru1 Cl3 88.8(2) . . ?
S1 Ru1 Cl3 86.8(2) . . ?
Cl1 Ru1 Cl3 90.4(3) . . ?
N4 Ru2 S2 178.0(3) . . ?
N4 Ru2 Cl10 89.1(3) . . ?
S2 Ru2 Cl10 89.66(13) . . ?
N4 Ru2 Cl7 87.4(3) . . ?
S2 Ru2 Cl7 91.09(13) . . ?
Cl10 Ru2 Cl7 91.89(13) . . ?
N4 Ru2 Cl9 88.5(3) . . ?
S2 Ru2 Cl9 93.06(13) . . ?
Cl10 Ru2 Cl9 90.29(13) . . ?
Cl7 Ru2 Cl9 175.32(14) . . ?
N4 Ru2 Cl8 89.6(3) . . ?
S2 Ru2 Cl8 91.65(13) . . ?
Cl10 Ru2 Cl8 178.59(14) . . ?
Cl7 Ru2 Cl8 88.62(14) . . ?
Cl9 Ru2 Cl8 89.10(13) . . ?
Ru1 Cl4 Na2 115.0(7) . 2_667 ?
Ru1 Cl4 Na1B 145.6(16) . . ?
Na2 Cl4 Na1B 73.4(8) 2_667 . ?
Ru1 Cl4 Na1A 132.8(6) . . ?
Na2 Cl4 Na1A 68.5(5) 2_667 . ?
Na1B Cl4 Na1A 15.7(13) . . ?
Ru1 Cl4 Na2 105.0(5) . . ?
Na2 Cl4 Na2 110.1(6) 2_667 . ?
Na1B Cl4 Na2 102(2) . . ?
Na1A Cl4 Na2 118.0(7) . . ?
Ru2 Cl8 Na1B 112.9(5) . 2_668 ?
Ru2 Cl8 Na1A 109.4(4) . 2_668 ?
Na1B Cl8 Na1A 15.4(15) 2_668 2_668 ?
C3 N1 C2 116.3(16) . . ?
C3 N1 Pt 123.3(12) . . ?
C2 N1 Pt 120.4(12) . . ?
C1 N2 C4 118.0(18) . . ?
C1 N2 Ru1 115.5(16) . . ?
C4 N2 Ru1 126.4(15) . . ?
C10 N3 C7 118.9(12) . . ?
C10 N3 Pt 120.2(9) . . ?
C7 N3 Pt 120.9(9) . . ?
C8 N4 C9 118.6(12) . . ?
C8 N4 Ru2 122.5(9) . . ?
C9 N4 Ru2 118.6(9) . . ?
N2 C1 C2 121(2) . . ?
N1 C2 C1 124(2) . . ?
N1 C3 C4 116.5(17) . . ?
N2 C4 C3 124.3(17) . . ?
N3 C7 C8 121.6(13) . . ?
N4 C8 C7 121.0(13) . . ?
N4 C9 C10 117.7(13) . . ?
N3 C10 C9 122.0(13) . . ?
O1S C2S C1S 126.0(18) . . ?
O1S C2S C3S 124.4(16) . . ?
C1S C2S C3S 109.6(17) . . ?
Na1B Na1A O2 72(2) . 2_668 ?
Na1B Na1A O1 50(2) . 2_667 ?
O2 Na1A O1 88.6(8) 2_668 2_667 ?
Na1B Na1A Cl8 58(2) . 2_668 ?
O2 Na1A Cl8 73.6(7) 2_668 2_668 ?
O1 Na1A Cl8 107.3(13) 2_667 2_668 ?
Na1B Na1A Cl4 71(3) . . ?
O2 Na1A Cl4 142.4(15) 2_668 . ?
O1 Na1A Cl4 73.8(7) 2_667 . ?
Cl8 Na1A Cl4 80.2(7) 2_668 . ?
Na1B Na1A Na2 89(2) . 2_667 ?
O2 Na1A Na2 137.1(9) 2_668 2_667 ?
O1 Na1A Na2 51.9(9) 2_667 2_667 ?
Cl8 Na1A Na2 128.4(10) 2_668 2_667 ?
Cl4 Na1A Na2 50.1(4) . 2_667 ?
Na1A Na1B O1 111(3) . 2_667 ?
Na1A Na1B O2 87(3) . 2_668 ?
O1 Na1B O2 103.8(19) 2_667 2_668 ?
Na1A Na1B Cl8 107(4) . 2_668 ?
O1 Na1B Cl8 142(5) 2_667 2_668 ?
O2 Na1B Cl8 82.7(9) 2_668 2_668 ?
Na1A Na1B Cl4 93(4) . . ?
O1 Na1B Cl4 83.9(10) 2_667 . ?
O2 Na1B Cl4 171.6(12) 2_668 . ?
Cl8 Na1B Cl4 89.3(8) 2_668 . ?
Na1A Na1B S1 135(3) . 2_667 ?
O1 Na1B S1 27.8(15) 2_667 2_667 ?
O2 Na1B S1 89(2) 2_668 2_667 ?
Cl8 Na1B S1 117(3) 2_668 2_667 ?
Cl4 Na1B S1 96.5(16) . 2_667 ?
Na1A Na1B Na2 77(3) . 2_667 ?
O1 Na1B Na2 50.3(12) 2_667 2_667 ?
O2 Na1B Na2 137.6(16) 2_668 2_667 ?
Cl8 Na1B Na2 139.4(10) 2_668 2_667 ?
Cl4 Na1B Na2 50.3(6) . 2_667 ?
S1 Na1B Na2 76.6(11) 2_667 2_667 ?
O1 Na2 Cl4 77.7(6) . 2_667 ?
O1 Na2 Na1A 45.7(6) . 2_667 ?
Cl4 Na2 Na1A 61.4(5) 2_667 2_667 ?
O1 Na2 Cl4 64.7(9) . . ?
Cl4 Na2 Cl4 69.9(6) 2_667 . ?
Na1A Na2 Cl4 99.2(9) 2_667 . ?
O1 Na2 Na1B 34.8(13) . 2_667 ?
Cl4 Na2 Na1B 56.3(6) 2_667 2_667 ?
Na1A Na2 Na1B 14.4(10) 2_667 2_667 ?
Cl4 Na2 Na1B 84.9(17) . 2_667 ?
O2 S2 C11 108.5(7) . . ?
O2 S2 C12 106.8(6) . . ?
C11 S2 C12 102.5(7) . . ?
O2 S2 Ru2 118.1(4) . . ?
C11 S2 Ru2 111.1(5) . . ?
C12 S2 Ru2 108.7(5) . . ?
S2 O2 Na1B 133.8(9) . 2_668 ?
S2 O2 Na1A 132.5(6) . 2_668 ?
Na1B O2 Na1A 20.8(17) 2_668 2_668 ?
O1 S1 C5 111.4(11) . . ?
O1 S1 C6 116.2(10) . . ?
C5 S1 C6 105.7(12) . . ?
O1 S1 Ru1 114.4(6) . . ?
C5 S1 Ru1 115.5(11) . . ?
C6 S1 Ru1 92.2(8) . . ?
O1 S1 Na1B 36.4(13) . 2_667 ?
C5 S1 Na1B 103.7(13) . 2_667 ?
C6 S1 Na1B 85.9(15) . 2_667 ?
Ru1 S1 Na1B 139.6(5) . 2_667 ?
S1 O1 Na1B 116(3) . 2_667 ?
S1 O1 Na1A 132.3(10) . 2_667 ?
Na1B O1 Na1A 19(2) 2_667 2_667 ?
S1 O1 Na2 142.7(11) . . ?
Na1B O1 Na2 95(2) 2_667 . ?
Na1A O1 Na2 82.5(10) 2_667 . ?
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
Pt N1 2.011(12) . ?
Pt N3 2.034(11) . ?
Pt Cl5 2.290(3) . ?
Pt Cl6 2.293(3) . ?
Ru1 Cl2 1.779(7) . ?
Ru1 N2 2.160(15) . ?
Ru1 Cl4 2.300(5) . ?
Ru1 S1 2.305(5) . ?
Ru1 Cl1 2.311(6) . ?
Ru1 Cl3 2.376(8) . ?
Ru2 N4 2.117(12) . ?
Ru2 S2 2.281(4) . ?
Ru2 Cl10 2.338(4) . ?
Ru2 Cl7 2.345(4) . ?
Ru2 Cl9 2.350(4) . ?
Ru2 Cl8 2.353(4) . ?
Cl4 Na2 2.674(16) 2_667 ?
Cl4 Na1B 2.89(2) . ?
Cl4 Na1A 3.06(2) . ?
Cl4 Na2 3.36(4) . ?
Cl8 Na1B 2.64(3) 2_668 ?
Cl8 Na1A 2.99(2) 2_668 ?
N1 C3 1.323(19) . ?
N1 C2 1.33(2) . ?
N2 C1 1.26(3) . ?
N2 C4 1.28(3) . ?
N3 C10 1.300(15) . ?
N3 C7 1.312(15) . ?
N4 C8 1.318(16) . ?
N4 C9 1.370(16) . ?
C1 C2 1.34(2) . ?
C3 C4 1.42(3) . ?
C7 C8 1.344(17) . ?
C9 C10 1.384(18) . ?
O1S C2S 1.18(2) . ?
C1S C2S 1.48(2) . ?
C2S C3S 1.54(2) . ?
Na1A Na1B 0.83(6) . ?
Na1A O2 2.330(16) 2_668 ?
Na1A O1 2.34(2) 2_667 ?
Na1A Cl8 2.99(2) 2_668 ?
Na1A Na2 3.242(19) 2_667 ?
Na1B O1 1.91(5) 2_667 ?
Na1B O2 2.23(2) 2_668 ?
Na1B Cl8 2.64(3) 2_668 ?
Na1B S1 2.90(8) 2_667 ?
Na1B Na2 3.33(3) 2_667 ?
Na2 O1 2.57(3) . ?
Na2 Cl4 2.674(16) 2_667 ?
Na2 Na1A 3.242(19) 2_667 ?
Na2 Na1B 3.33(3) 2_667 ?
S2 O2 1.510(9) . ?
S2 C11 1.785(13) . ?
S2 C12 1.817(12) . ?
O2 Na1B 2.23(3) 2_668 ?
O2 Na1A 2.330(16) 2_668 ?
S1 O1 1.502(11) . ?
S1 C5 1.792(19) . ?
S1 C6 1.810(16) . ?
S1 Na1B 2.90(8) 2_667 ?
O1 Na1B 1.91(5) 2_667 ?
O1 Na1A 2.34(2) 2_667 ?
