Dichlorido[1-(2-methylbenzyl)-3-(η^6^-2,4,6-trimethylbenzyl)-1<i>H</i>-2,3-dihydrobenzimidazol-2-ylidene]ruthenium(II) dichloromethane solvate
Arslan, Hakan; VanDerveer, Don; Yaşar, Sedat; Özdemir, Ismail; Çetinkaya, Bekir; Acta Crystallographica Section E 65 (2009) m243–m244; doi:10.1107/S160053680900350X

data_2220962
_publ_section_title
;Dichlorido[1-(2-methylbenzyl)-3-(\h^6^-2,4,6-trimethylbenzyl)-1<i>H</i>-2,3-dihydrobenzimidazol-2-ylidene]ruthenium(II)
 dichloromethane solvate
;
_journal_coeditor_code           AT2716
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m243
_journal_page_last               m244
_journal_paper_doi               10.1107/S160053680900350X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ru Cl2 (C25 H26 N2)], C H2 Cl2'
_chemical_formula_moiety         'C25 H26 Cl2 N2 Ru, C H2 Cl2'
_chemical_formula_sum            'C26 H28 Cl4 N2 Ru'
_chemical_formula_weight         611.37
_chemical_name_systematic
'Dichlorido[1-(2-methylbenzyl)-3-(\h^6^-2,4,6-trimethylbenzyl)-1<i>H</i>-2,3-dihydrobenzimidazol-2-ylidene]ruthenium(II) dichloromethane solvate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 100.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.362(6)
_cell_length_b                   8.1014(16)
_cell_length_c                   20.484(4)
_cell_measurement_reflns_used    5683
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.0196
_cell_measurement_theta_min      2.8303
_cell_volume                     5123.7(18)
_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 (Version 6.10; Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Version 6.10; Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Version 6.10; Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Version 6.10; Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       'Rigaku Mercury CCD (2x2 bin mode)'
_diffrn_measurement_method       omega
_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  0.0543
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15807
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         2.83
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  0.9398
_exptl_absorpt_correction_T_min  0.6444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.731
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4501
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0492
_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^)+(0.0431P)^2^+37.6344P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1151
_reflns_number_gt                3825
_reflns_number_total             4501
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2716.cif
_cod_data_source_block           I
_cod_original_cell_volume        5123.8(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2220962
_cod_database_fobs_code          2220962