Poly[μ~3~-chlorido-μ~2~-chloridodichlorido(μ-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)(dimethyl sulfoxide-κ<i>O</i>)(μ-pyrimidine-κ^2^<i>N</i>:<i>N</i>')ruthenium(III)sodium]
Ferrara, Skylar; Kreider-Mueller, Ava; Tanski, Joseph M.; Anderson, Craig M.; Acta Crystallographica Section E 67 (2011) m756–m757; doi:10.1107/S1600536811017211

data_2230439
_publ_section_title
;
 Poly[\m~3~-chlorido-\m~2~-chloridodichlorido(\m-dimethyl
 sulfoxide-\k^2^<i>O</i>:<i>S</i>)(dimethyl
 sulfoxide-\k<i>O</i>)(\m-pyrimidine-\k^2^<i>N</i>:<i>N</i>')ruthenium(III)sodium]
;
_journal_coeditor_code           OM2427
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m756
_journal_page_last               m757
_journal_paper_doi               10.1107/S1600536811017211
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Na Ru Cl4 (C4 H4 N2) (C2 H6 O S)2]'
_chemical_formula_moiety         'C8 H16 Cl4 N2 Na O2 Ru S2'
_chemical_formula_sum            'C8 H16 Cl4 N2 Na O2 Ru S2'
_chemical_formula_weight         502.21
_chemical_name_systematic
;
Poly[\m~3~-chlorido-\m~2~-chloridodichlorido(\m-dimethyl
sulfoxide-\k^2^<i>O</i>:<i>S</i>)(dimethyl
sulfoxide-\k<i>O</i>)(\m-pyrimidine-
\k^2^<i>N</i>:<i>N</i>')ruthenium(III)sodium]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 91.6800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5052(6)
_cell_length_b                   10.9917(5)
_cell_length_c                   13.1837(6)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    125(2)
_cell_measurement_theta_max      30.38
_cell_measurement_theta_min      2.47
_cell_volume                     1811.37(15)
_computing_cell_refinement       'SAINT (Bruker 2007)'
_computing_data_collection       'APEX2 (Bruker 2007)'
_computing_data_reduction        'SAINT (Bruker 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      125(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0140
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25088
_diffrn_reflns_theta_full        29.02
_diffrn_reflns_theta_max         30.53
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.709
_exptl_absorpt_correction_T_max  0.8477
_exptl_absorpt_correction_T_min  0.6746
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.873
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         5227
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.0177
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0191P)^2^+1.3448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0444
_refine_ls_wR_factor_ref         0.0453
_reflns_number_gt                4922
_reflns_number_total             5227
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            om2427.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2230439
_cod_database_fobs_code          2230439