Silver perrhenate, AgReO~4~
Dmitry Yu. Naumov; Alexander V. Virovets; Sergey V. Korenev; Alexander I. Gubanov; Acta Crystallographica Section C 55 (1999) IUC9900097–; doi:10.1107/S0108270199099138

data_2008824
_publ_section_title
;
 Silver perrhenate, AgReO~4~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9900097
_journal_paper_doi               10.1107/S0108270199099138
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'Ag Re O4'
_chemical_formula_moiety         'Ag 1+, Re O4 1-'
_chemical_formula_sum            'Ag O4 Re'
_chemical_formula_weight         358.07
_chemical_name_common            none
_chemical_name_systematic
;
Silver Perrhenate
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_audit_creation_method           'X-RED  (Stoe, 1999b)'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.3724(4)
_cell_length_b                   5.3724(4)
_cell_length_c                   11.7932(16)
_cell_measurement_reflns_used    92
_cell_measurement_temperature    297.0(10)
_cell_measurement_theta_max      19.5
_cell_measurement_theta_min      15.35
_cell_volume                     340.38(6)
_computing_cell_refinement       STADI4
_computing_data_collection       'STADI4 (Stoe, 1999a)'
_computing_data_reduction        'X-RED (Stoe, 1999b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      297.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'STOE STADI4 4-circle-diffractometer D094'
_diffrn_measurement_method
; Scan width (\w) = 1.05 - 1.30, scan ratio 2\q:\w = 1.00
  I(Net) and \s(I) calculated according to Blessing (1987)
;
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.086
_diffrn_reflns_av_sigmaI/netI    0.0560
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            2232
_diffrn_reflns_theta_full        39.94
_diffrn_reflns_theta_max         39.94
_diffrn_reflns_theta_min         4.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    41.12
_exptl_absorpt_correction_T_max  0.072
_exptl_absorpt_correction_T_min  0.008
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'X-RED (Stoe, 1999b)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    6.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.267
_exptl_crystal_size_min          0.240
_refine_diff_density_max         5.440
_refine_diff_density_min         -1.742
_refine_ls_extinction_coef       0.080(2)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     15
_refine_ls_number_reflns         531
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.025
_refine_ls_R_factor_gt           0.022
_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^)+(0.0164P)^2^+0.0666P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.049
_reflns_number_gt                451
_reflns_number_total             531
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0115.cif
_cod_data_source_block           agreo4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'none' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value 'none' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        340.38(5)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2008824
_cod_database_fobs_code          2008824