Redetermination of the structure of zinc disilver(I) tetrathiocyanate (at 178 K)
Jones, P. G.; Bembenek, E.; Acta Crystallographica Section C 48 (1992) 1361–1362; doi:10.1107/S0108270192003986

data_2000803
_publ_section_title
;
 Redetermination of the structure of zinc disilver(I) tetrathiocyanate
 (at 178 K)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1361
_journal_page_last               1362
_journal_paper_doi               10.1107/S0108270192003986
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C4 Ag2 N4 S4 Zn'
_chemical_formula_weight         513.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 96.57(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.720(9)
_cell_length_b                   7.703(3)
_cell_length_c                   7.753(3)
_cell_measurement_reflns_used    49
_cell_measurement_temperature    178
_cell_measurement_theta_max      11.5
_cell_measurement_theta_min      10
_cell_volume                     1170.0(8)
_diffrn_measurement_device       'Siemens R3'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5383
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        +-1.5
_diffrn_standards_interval_count 147
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.0
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.23
_exptl_absorpt_correction_type   'empirical \y scans'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.915
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.9
_exptl_crystal_size_mid          0.7
_exptl_crystal_size_min          0.4
_refine_diff_density_max         1.0
_refine_diff_density_min         -0.9
_refine_ls_goodness_of_fit_obs   1.6
_refine_ls_number_parameters     70
_refine_ls_number_reflns         1328
_refine_ls_R_factor_obs          0.026
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          1328
_reflns_number_total             1351
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            ha1006.cif
_cod_data_source_block           ha1006a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0001F^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)+0.0001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1170.0(7)
_cod_original_formula_sum        'Ag2 C4 N4 S4 Zn1'
_cod_database_code               2000803