Poly[di-μ~2~-chlorido-dichlorido(μ~3~-dimethyl sulfoxide-κ^3^<i>O</i>:<i>O</i>:<i>S</i>)(μ~2~-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)ruthenium(III)sodium]
Trávníček, Zdeněk; Matiková-Maľarová, Miroslava; Acta Crystallographica Section E 66 (2010) m348–m349; doi:10.1107/S1600536810007063

data_2225741
_publ_section_title
;
 Poly[di-\m~2~-chlorido-dichlorido(\m~3~-dimethyl
 sulfoxide-\k^3^<i>O</i>:<i>O</i>:<i>S</i>)(\m~2~-dimethyl
 sulfoxide-\k^2^<i>O</i>:<i>S</i>)ruthenium(III)sodium]
;
_journal_coeditor_code           TK2632
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m348
_journal_page_last               m349
_journal_paper_doi               10.1107/S1600536810007063
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Na Ru Cl4 (C2 H6 O1 S1)2]'
_chemical_formula_moiety         'C4 H12 Cl4 Na O2 Ru S2'
_chemical_formula_sum            'C4 H12 Cl4 Na O2 Ru S2'
_chemical_formula_weight         422.12
_chemical_name_systematic
;
Poly[di-\m~2~-chlorido-dichlorido(\m~3~-dimethyl
sulfoxide-\k^3^<i>O</i>:<i>O</i>:<i>S</i>)(\m~2~-dimethyl
sulfoxide-\k^2^<i>O</i>:<i>S</i>)ruthenium(III)sodium]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.470(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9042(3)
_cell_length_b                   8.0692(2)
_cell_length_c                   13.7873(3)
_cell_measurement_reflns_used    10079
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      31.9755
_cell_measurement_theta_min      2.9267
_cell_volume                     1309.93(5)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.3611
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur2 CCD'
_diffrn_measurement_method       'rotation method, \w--scan'
_diffrn_radiation_monochromator  'Enhance (Mo) X-ray Source'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0160
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10197
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    2.336
_exptl_absorpt_correction_T_max  0.7207
_exptl_absorpt_correction_T_min  0.6523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.140
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.361
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     134
_refine_ls_number_reflns         2300
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0183
_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/[\s^2^(Fo^2^)+(0.0269P)^2^+0.8654P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0473
_refine_ls_wR_factor_ref         0.0501
_reflns_number_gt                2105
_reflns_number_total             2300
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            tk2632.cif
_cod_data_source_block           I
_cod_database_code               2225741
_cod_database_fobs_code          2225741