Structure of tri-μ-chloro-bis[(η^6^-benzene)ruthenium(II)] hexafluoroarsenate
McCormick, F. B.; Gleason, W. B.; Acta Crystallographica Section C 49 (1993) 1493–1496; doi:10.1107/S0108270193001490

data_2001452
_publ_section_title
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 Structure of tri-\m-chloro-bis[(\h^6^-benzene)ruthenium(II)]
 hexafluoroarsenate
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_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1493
_journal_page_last               1496
_journal_paper_doi               10.1107/S0108270193001490
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H12 As Cl3 F6 Ru2'
_chemical_formula_weight         653.64
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 101.56(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.538(3)
_cell_length_b                   19.210(4)
_cell_length_c                   8.686(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1722.7(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6221
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  83
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.15
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.52
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.1
_refine_diff_density_min         -1.1
_refine_ls_extinction_coef       5.42E-7(2)
_refine_ls_extinction_method     Secondary
_refine_ls_goodness_of_fit_obs   2.15
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2449
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.052
_reflns_number_observed          2449
_reflns_number_total             3013
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            st1045.cif
_cod_data_source_block           st1045a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1722.7
_cod_database_code               2001452