The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II)
Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y.; Acta Crystallographica Section C 52 (1996) 33–35; doi:10.1107/S0108270195007797

data_2004407
_publ_section_title
;
 The Intercalation Compound 1,4-Benzenediammonium
 Tetrachlorocadmate(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              33
_journal_page_last               35
_journal_paper_doi               10.1107/S0108270195007797
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C6 H10 Cd1 Cl4 N2'
_chemical_formula_sum            'C6 H10 Cd Cl4 N2'
_chemical_formula_weight         364.38
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 93.34(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   7.336(1)
_cell_length_b                   7.401(2)
_cell_length_c                   10.408(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.93
_cell_measurement_theta_min      13.95
_cell_volume                     564.1(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1174
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -3.1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.84
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.32
_exptl_absorpt_correction_type   'empirical, \y scan'
_exptl_crystal_colour            'Light pink'
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_description       platelet
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          1.0
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.229
_refine_diff_density_min         -1.113
_refine_ls_extinction_coef       2.449E-4
_refine_ls_extinction_method     'secondary (Zachariasen, 1967)'
_refine_ls_goodness_of_fit_obs   2.45
_refine_ls_hydrogen_treatment    'H atoms: positions and U~iso~ refined'
_refine_ls_number_parameters     82
_refine_ls_number_reflns         938
_refine_ls_R_factor_obs          0.055
_refine_ls_shift/esd_max         0.07
_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         0.064
_reflns_number_observed          938
_reflns_number_total             1105
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1132.cif
_cod_data_source_block           mu1132a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 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        564.2(5)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C6 H10 Cd1 Cl4 N2'
_cod_database_code               2004407