(η^6^-Benzene)(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridoruthenium(II) chloride methanol sesquisolvate
Polson, Matthew I. J.; Acta Crystallographica Section E 64 (2008) m256–m256; doi:10.1107/S1600536807066858

data_2217304
_publ_section_title
;(\h^6^-Benzene)(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')chloridoruthenium(II)
 chloride methanol sesquisolvate
;
_journal_coeditor_code           SJ2425
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m256
_journal_page_last               m256
_journal_paper_doi               10.1107/S1600536807066858
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ru Cl (C6 H6) (C10 H8 N2)] Cl, 1.5C H4 O'
_chemical_formula_moiety         'C16 H14 Cl N2 Ru +, Cl -, 1.5(C H4 O)'
_chemical_formula_sum            'C17.5 H20 Cl2 N2 O1.5 Ru'
_chemical_formula_weight         454.33
_chemical_name_systematic
;
(\h^6^-Benzene)(2,2'-bipyridine-\k^2^N,N')chloridoruthenium(II) chloride
methanol sesquisolvate
;
_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                85.597(2)
_cell_angle_beta                 84.531(2)
_cell_angle_gamma                75.875(2)
_cell_formula_units_Z            2
_cell_length_a                   6.9027(11)
_cell_length_b                   10.2346(16)
_cell_length_c                   12.895(2)
_cell_measurement_reflns_used    3474
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.53
_cell_volume                     878.1(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and
MERCURY (Bruno <i>et al.</i>,  2002)
;
_computing_publication_material  'publCIF (Westrip, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0137
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4385
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.53
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.207
_exptl_absorpt_correction_T_max  0.854
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             458
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.126
_refine_diff_density_min         -0.692
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3082
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0562P)^2^+0.5007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                2867
_reflns_number_total             3082
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2425.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C17.5 H20 Cl2 N2 O1.5 Ru1'
_cod_database_code               2217304
_cod_database_fobs_code          2217304