Hexachlorotetra-μ~3~-chloro-tetra-μ~3~-telluro-octohexarhenium(III)
Mironov, Y. V.; Cody, J. A.; Ibers, J. A.; Acta Crystallographica Section C 52 (1996) 281–283; doi:10.1107/S0108270195013205

data_2004483
_publ_section_title
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 Hexachlorotetra-\m~3~-chloro-tetra-\m~3~-telluro-octohexarhenium(III)
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_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              281
_journal_page_last               283
_journal_paper_doi               10.1107/S0108270195013205
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          'Re6 Te4 Cl10'
_chemical_formula_sum            'Cl10 Re6 Te4'
_chemical_formula_weight         1982.10
_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_type_scat_source
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_cell_angle_alpha                85.250(10)
_cell_angle_beta                 85.550(10)
_cell_angle_gamma                82.450(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0040(10)
_cell_length_b                   9.0000(10)
_cell_length_c                   12.963(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      41
_cell_measurement_theta_min      40
_cell_volume                     1035.4(2)
_computing_cell_refinement       'CAD4 Software'
_computing_data_collection       'CAD4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'Peak profile (Blessing, 1987)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1994)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_theta_max         69.80
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  '3 hours X-ray exposure time'
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_exptl_absorpt_coefficient_mu    121.99
_exptl_absorpt_correction_T_max  0.212
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_exptl_crystal_colour            black
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_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.046
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_refine_diff_density_max         3.19
_refine_diff_density_min         -3.65
_refine_ls_extinction_coef       0.00034(2)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_obs   1.40
_refine_ls_number_parameters     182
_refine_ls_number_reflns         3790
_refine_ls_R_factor_obs          0.0479
_refine_ls_shift/esd_max         -0.08
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/ [\s^2^(Fo^2^) + (0.0400Fo^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.112
_reflns_number_total             3790
_cod_data_source_file            br1121.cif
_cod_data_source_block           global
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' calc w = 1/ [\s^2^(Fo^2^) +
(0.0400Fo^2^)^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^(Fo^2^) + (0.0400Fo^2^)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1035.5(2)
_cod_database_code               2004483