Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite
Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua; Journal of Materials Chemistry C 6 (2018) 10327–; doi:10.1039/C8TC03517B

data_7237479
_publ_section_title
;
 Dielectric phase transition triggered by the order--disorder
 transformation of cyclopropylamine in a layered organic--inorganic halide
 perovskite
;
_journal_issue                   38
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              10327
_journal_paper_doi               10.1039/C8TC03517B
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C6 H16 Cd Cl4 N2'
_chemical_formula_weight         370.41
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-03-03 deposited with the CCDC.
2018-09-04 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_measured_fraction_theta_max 0.993
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_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_theta_max         27.595
_diffrn_reflns_theta_min         2.798
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_refine_diff_density_min         -1.005
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         1446
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+2.0320P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        631.69(7)
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