Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4
El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi; Journal of Physics and Chemistry of Solids 55 (1994) 1277–1288; doi:

data_1568677
_publ_section_title
;
 Thermal conformational changes in a bidimensional molecular composite
 material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3
 CdCl4
;
_publ_section_title_footnote
;
;
_journal_issue                   11
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1277
_journal_page_last               1288
_journal_volume                  55
_journal_year                    1994
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C4 H14 N2,Cd Cl4'
_chemical_formula_sum            'C4 H14 Cd Cl4 N2'
_chemical_formula_weight         344.38
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             'Monday, 17 January 2022 '
_audit_creation_method           'PLATON <TABLE ACC> option'
_cell_angle_alpha                90
_cell_angle_beta                 91.06(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.344(3)
_cell_length_b                   7.485(2)
_cell_length_c                   10.775(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      14
_cell_measurement_theta_min      7
_cell_volume                     592.2(4)
_computing_cell_refinement       'Nonius CAD4'
_computing_data_collection       'Nonius CAD4'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  SHELX76
_computing_structure_solution    SHEXLS
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       '2\q / \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1843
_diffrn_reflns_reduction_process
;

;
_diffrn_reflns_theta_max         27
_exptl_absorpt_coefficient_mu    2.697
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_density_meas_temp 293
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             336
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_ls_hydrogen_treatment    constr
_refine_ls_R_factor_gt           0.0569
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      ?
_refine_ls_wR_factor_gt          0.0575
_reflns_number_gt                1227
_reflns_number_total             1292
_reflns_threshold_expression     'I > 3s(I)'
_cod_data_source_file            2C4CdCl4-I.cif
_cod_data_source_block           2C4CdCl4_I
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               1568677