Synthesis, Crystal Structure, and Magnetic Properties of Tetraphenylarsonium Tetrachloro(oxalato)rhenate(IV) and Bis(2,2'-bipyridine)tetrachloro(μ-oxalato)copper(II)rhenium(IV)
Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus; Inorganic Chemistry 38 (1999) 4745–4752; doi:10.1021/ic990376h

data_4322309
_publ_section_title
;
 Synthesis, Crystal Structure, and Magnetic Properties of
 Tetraphenylarsonium Tetrachloro(oxalato)rhenate(IV) and
 Bis(2,2'-bipyridine)tetrachloro(\m-oxalato)copper(II)rhenium(IV)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4745
_journal_page_last               4752
_journal_paper_doi               10.1021/ic990376h
_journal_volume                  38
_journal_year                    1999
_chemical_compound_source        'chemical synthesis'
_chemical_formula_moiety         '[ReCl4(m-ox)Cu(bipy)2]'
_chemical_formula_sum            'C22 H16 Cl4 Cu N4 O4 Re'
_chemical_formula_weight         791.9
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 93.97(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.421(2)
_cell_length_b                   16.909(4)
_cell_length_c                   16.179(4)
_cell_measurement_radiation      'Mo K\a'
_cell_measurement_temperature    295
_cell_measurement_wavelength     0.710730
_cell_volume                     2571.1(10)
_computing_cell_refinement       'Siemens P3/V'
_computing_data_collection       'Siemens P3/V,(VMS vers 4.21/V, 1990)'
_computing_data_reduction
'Siemens SHELXTL-PLUS,(VMS vers 4.21/V , 1990)'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'Siemens SHELXTL-PLUS and PARST'
_computing_structure_refinement  'Siemens SHELXTL-PLUS'
_computing_structure_solution    'Siemens SHELXTL-PLUS'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'Siemens R3m/V diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  'highly-oriented graphite crystal'
_diffrn_radiation_source         'fine-focus xray_tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.710730
_diffrn_reflns_av_R_equivalents  3.83
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6019
_diffrn_reflns_theta_max         27.0
_diffrn_reflns_theta_min         1.5
_exptl_absorpt_coefficient_mu    59.84
_exptl_crystal_colour            dark_green
_exptl_crystal_density_diffrn    2.046
_exptl_crystal_description       polyhedral
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.36
_refine_diff_density_max         2.01
_refine_diff_density_min         -1.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.54
_refine_ls_hydrogen_treatment    '"riding model" with fixed isotropic U'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4523
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          5.31
_refine_ls_R_factor_obs          4.37
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+ 0.0010*F^2^))'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         6.13
_refine_ls_wR_factor_obs         6.52
_reflns_number_observed          4523
_reflns_number_total             5430
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            ic990376h_2.cif
_cod_data_source_block           (2)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+ 0.0010*F^2^))' 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)+
0.0010*F^2^))'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 1 2/m 1'
_cod_original_formula_sum        'C22 H16 Cl4 Cu1 N4 O4 Re1'
_cod_database_code               4322309