Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries
Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang; CrystEngComm 20 (2018) 6261–; doi:10.1039/C8CE01263F

data_7231478
_publ_section_title
;
 Switchable dielectric phase transition behaviors in two
 organic--inorganic copper(ii) halides with distinct coordination
 geometries
;
_journal_issue                   40
_journal_name_full               CrystEngComm
_journal_page_first              6261
_journal_paper_doi               10.1039/C8CE01263F
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'Cl3 Cu, C4 H11 Cl N'
_chemical_formula_sum            'C4 H11 Cl4 Cu N'
_chemical_formula_weight         278.49
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-07-27 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                66.57(3)
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_cell_angle_gamma                79.00(3)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      3.253
_cell_volume                     489.9(2)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku SCXmini diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0206
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_min       -7
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_diffrn_reflns_number            4285
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         25.248
_diffrn_reflns_theta_min         3.253
_exptl_absorpt_coefficient_mu    3.252
_exptl_absorpt_correction_type   multi-scan
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_refine_diff_density_min         -0.344
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_refine_ls_extinction_coef       0.0189(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0236
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0196P)^2^+0.2441P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0502
_refine_ls_wR_factor_ref         0.0511
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1646
_reflns_number_total             1777
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7231477--7231479.cif.'
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