<i>trans</i>(<i>Cl,N</i>~amino~)-Chloro(dimethyl sulfoxide-κ<i>S</i>)[tris(2-pyridylmethyl)amine-κ^4^<i>N</i>]ruthenium(II) trichlorotris(dimethyl sulfoxide-κ<i>S</i>)ruthenate(II)
Masui, Dai; Yamaguchi, Motowo; Yamagishi, Takamichi; Acta Crystallographica Section E 59 (2003) m308–m309; doi:10.1107/S1600536803009395

data_2202136
_publ_section_title
;
 <i>trans</i>(<i>Cl,N</i>~amino~)-Chloro(dimethyl
 sulfoxide-\k<i>S</i>)[tris(2-pyridylmethyl)amine-\k^4^<i>N</i>]ruthenium(II)
 trichlorotris(dimethyl sulfoxide-\k<i>S</i>)ruthenate(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m308
_journal_page_last               m309
_journal_paper_doi               10.1107/S1600536803009395
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac
'[Ru Cl (C18 H18 N4) (C2 H6 O S)] [Ru Cl3 (C2 H6 O S)3]'
_chemical_formula_moiety
'C20 H24 Cl N4 O Ru S 1+, C6 H18 Cl3 O3 Ru S3 1-'
_chemical_formula_sum            'C26 H42 Cl4 N4 O4 Ru2 S4'
_chemical_formula_weight         946.82
_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                114.362(3)
_cell_angle_beta                 96.804(3)
_cell_angle_gamma                105.610(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1817(18)
_cell_length_b                   14.221(2)
_cell_length_c                   14.664(3)
_cell_measurement_reflns_used    965
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.266
_cell_measurement_theta_min      2.985
_cell_volume                     1798.0(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 66
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0171
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            8007
_diffrn_reflns_theta_full        23.29
_diffrn_reflns_theta_max         23.29
_diffrn_reflns_theta_min         1.68
_diffrn_standards_decay_%        0.79
_diffrn_standards_interval_time  14
_diffrn_standards_number         8007
_exptl_absorpt_coefficient_mu    1.407
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.610
_refine_diff_density_min         -0.405
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         5113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0268
_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^)+(0.0351P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0645
_refine_ls_wR_factor_ref         0.0659
_reflns_number_gt                4463
_reflns_number_total             5113
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob6241.cif
_cod_data_source_block           I
_cod_original_cell_volume        1798.1(5)
_cod_database_code               2202136
_cod_database_fobs_code          2202136