1,3-Bis(2-thienylmethyl)-4,5-dihydroimidazolium trichlorido(η^6^-<i>p</i>-cymene)ruthenate(II)
Arslan, Hakan; VanDerveer, Don; Özdemir, smail; Gürbüz, Nevin; Gök, Yetkin; Çetinkaya, Bekir; Acta Crystallographica Section E 65 (2009) m165–m166; doi:10.1107/S1600536809000464

data_2220807
_publ_section_title
;
 1,3-Bis(2-thienylmethyl)-4,5-dihydroimidazolium
 trichlorido(\h^6^-<i>p</i>-cymene)ruthenate(II)
;
_journal_coeditor_code           HG2465
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m165
_journal_page_last               m166
_journal_paper_doi               10.1107/S1600536809000464
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '(C13 H15 N2 S2) [Ru Cl3 (C10 H14)]'
_chemical_formula_moiety         'C13 H15 N2 S2 +, C10 H14 Cl3 Ru -'
_chemical_formula_sum            'C23 H29 Cl3 N2 Ru S2'
_chemical_formula_weight         605.02
_chemical_name_systematic
;
1,3-Bis(2-thienylmethyl)-4,5-dihydroimidazolium
trichlorido(\h^6^-<i>p</i>-cymene)ruthenate(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
_cell_angle_alpha                84.95(3)
_cell_angle_beta                 67.05(3)
_cell_angle_gamma                74.14(3)
_cell_formula_units_Z            2
_cell_length_a                   9.910(2)
_cell_length_b                   11.600(2)
_cell_length_c                   12.659(3)
_cell_measurement_reflns_used    5195
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.3808
_cell_measurement_theta_min      3.2990
_cell_volume                     1288.7(6)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'Rigaku AFC-8S Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11095
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         3.27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.096
_exptl_absorpt_correction_T_max  0.8356
_exptl_absorpt_correction_T_min  0.6214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.677
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4557
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0322
_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^)+(0.0406P)^2^+0.9404P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                4062
_reflns_number_total             4557
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2465.cif
_cod_data_source_block           I
_cod_original_cell_volume        1288.8(6)
_cod_database_code               2220807
_cod_database_fobs_code          2220807