Di-μ-chloro-bis[chloro(η^6^-1,2,4-trimethylbenzene)ruthenium(II)]‒dichloromethane (3/2)
Therrien, Bruno; Süss-Fink, Georg; Acta Crystallographica Section E 60 (2004) m1766–m1768; doi:10.1107/S160053680402745X

data_2204668
_publ_section_title
;Di-\m-chloro-bis[chloro(\h^6^-1,2,4-trimethylbenzene)ruthenium(II)]--dichloromethane
 (3/2)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1766
_journal_page_last               m1768
_journal_paper_doi               10.1107/S160053680402745X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C18 H24 Cl4 Ru2, 0.67C H2 Cl2'
_chemical_formula_sum            'C18.67 H35.33 Cl5.333 Ru2'
_chemical_formula_weight         640.93
_chemical_melting_point          '[Ru2 Cl4 (C9 H12)2], 0.67C H2 Cl2'
_chemical_name_systematic
;
Di-\m-chloro-bis[chloro(\h^6^-1,2,4-
trimethylbenzene)ruthenium(II)]--dichloromethane (3/2)
;
_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                97.105(13)
_cell_angle_beta                 90.644(13)
_cell_angle_gamma                105.358(12)
_cell_formula_units_Z            3
_cell_length_a                   9.9388(11)
_cell_length_b                   12.3703(13)
_cell_length_c                   14.4034(17)
_cell_measurement_reflns_used    7734
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.75
_cell_measurement_theta_min      2.05
_cell_volume                     1692.7(3)
_computing_cell_refinement       'CELL in IPDS Software'
_computing_data_collection       'EXPOSE in IPDS Software (Stoe & Cie, 2000)'
_computing_data_reduction        'INTEGRATE in IPDS Software'
_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      153(2)
_diffrn_measured_fraction_theta_full 0.932
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       \f
_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  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0961
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12013
_diffrn_reflns_theta_full        25.84
_diffrn_reflns_theta_max         25.84
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.972
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.614
_refine_diff_density_min         -1.366
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6090
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0745P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1276
_refine_ls_wR_factor_ref         0.1356
_reflns_number_gt                3899
_reflns_number_total             6090
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn6170.cif
_cod_data_source_block           I
_cod_database_code               2204668
_cod_database_fobs_code          2204668