Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).
Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Inorganic chemistry 56 (2017) 3506–3511; doi:10.1021/acs.inorgchem.6b03074

data_4345504
_publ_section_title
;
 Tunable Dielectric Responses Triggered by Dimensionality Modification in
 Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n =
 1 and 2).
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3506
_journal_page_last               3511
_journal_paper_doi               10.1021/acs.inorgchem.6b03074
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         '2(Cd Cl2.50), C5 H6 N'
_chemical_formula_sum            'C5 H6 Cd2 Cl5 N'
_chemical_formula_weight         482.18
_space_group_crystal_system      orthorhombic
_space_group_IT_number           59
_space_group_name_Hall           '-P 2c 2bc'
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_symmetry_space_group_name_Hall  '-P 2c 2bc'
_symmetry_space_group_name_H-M   'P n m m :2'
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.448
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_cell_volume                     595.7(2)
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku, SCXmini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_theta_max         27.448
_diffrn_reflns_theta_min         3.327
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.644
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.688
_exptl_crystal_description       ribbon
_exptl_crystal_F_000             474
_refine_diff_density_max         0.548
_refine_diff_density_min         -0.824
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       0.0014(4)
_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_restrained_S_all      1.179
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0199
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0206P)^2^+0.4234P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0462
_refine_ls_wR_factor_ref         0.0466
_reflns_Friedel_coverage         0.000
_reflns_number_gt                778
_reflns_number_total             807
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 4345502--4345505.cif.'
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