A <i>p</i>-cymene-ruthenium(II)‒DMSO complex, [(η^6^-<i>C</i>~10~H~14~)RuCl~2~(DMSO)]
Chandra, Manish; Pandey, D.Shankar; Puerta, M. Carmen; Valerga, Pedro; Acta Crystallographica Section E 58 (2002) m28–m29; doi:10.1107/S1600536801021237

data_2200848
_publ_section_title
;
 A <i>p</i>-cymene-ruthenium(II)--DMSO complex,
 [(\h^6^-<i>C</i>~10~H~14~)RuCl~2~(DMSO)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m28
_journal_page_last               m29
_journal_paper_doi               10.1107/S1600536801021237
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ru Cl2 (C10 H14) (C2 H6O S)]'
_chemical_formula_moiety         'C12 H20 Cl2 O Ru S'
_chemical_formula_sum            'C12 H20 Cl2 O Ru S'
_chemical_formula_weight         384.31
_chemical_name_systematic
;
 di(chloro)(hexahapto-para-cymene)(dimethylsulphoxide)ruthenium (II)
;
_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                106.850(11)
_cell_angle_beta                 94.395(15)
_cell_angle_gamma                99.697(13)
_cell_formula_units_Z            2
_cell_length_a                   7.8522(16)
_cell_length_b                   9.4124(9)
_cell_length_c                   10.9151(17)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.10
_cell_measurement_theta_min      5.17
_cell_volume                     754.3(2)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'maXus (Mackay et al., 1998)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .991
_diffrn_measured_fraction_theta_max .991
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0000
_diffrn_reflns_av_sigmaI/netI    .0253
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2632
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.97
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.514
_exptl_absorpt_correction_T_max  .860
_exptl_absorpt_correction_T_min  .836
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             388
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         1.260
_refine_diff_density_min         -.833
_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     154
_refine_ls_number_reflns         2632
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          .0381
_refine_ls_R_factor_gt           .0329
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.067P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .0886
_refine_ls_wR_factor_ref         .0901
_reflns_number_gt                2373
_reflns_number_total             2632
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6137.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2200848
_cod_database_fobs_code          2200848