Tetrabutylammonium Di-μ-iodo-bis(iodoargentate) Hexatungstate, [^<i>n^</i>Bu~4~N]~4~[Ag~2~I~4~][W~6~O~19~]
Hou, H.-W.; Ye, X.; Xin, X.; Wang, Z.; Liu, S.; Huang, J.; Acta Crystallographica Section C 51 (1995) 2013–2015; doi:10.1107/S0108270195005038

data_2004050
_publ_section_title
;
 Tetrabutylammonium Di-\m-iodo-bis(iodoargentate) Hexatungstate,
 [^<i>n^</i>Bu~4~N]~4~[Ag~2~I~4~][W~6~O~19~]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2013
_journal_page_last               2015
_journal_paper_doi               10.1107/S0108270195005038
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C64 H144 N4 , Ag2 I4 , W6 O19'
_chemical_formula_sum            'C64 H144 Ag2 I4 N4 O19 W6'
_chemical_formula_weight         3100.31
_space_group_IT_number           14
_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
_cell_angle_beta                 98.25(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.636(3)
_cell_length_b                   16.733(3)
_cell_length_c                   17.190(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      15
_cell_measurement_theta_min      13
_cell_volume                     4735.7(15)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.02
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13820
_diffrn_reflns_theta_max         23.05
_diffrn_standards_decay_%        2.8
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.160
_exptl_absorpt_correction_T_max  0.9120
_exptl_absorpt_correction_T_min  0.8017
_exptl_absorpt_correction_type   'empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.17
_exptl_crystal_description       rod
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.92
_refine_diff_density_min         -1.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.08
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     369
_refine_ls_number_reflns         3240
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.12
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          3240
_reflns_number_total             6917
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            oh1075.cif
_cod_data_source_block           oh1075a
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4736.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004050