Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.
Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji; Materials horizons 10 (2023) 2149–2159; doi:10.1039/d2mh01530g

data_1568699
_publ_section_title
;
 Competition of polar and antipolar states hidden behind a variety of
 polarization switching modes in hydrogen-bonded molecular chains.
;
_journal_issue                   6
_journal_name_full               'Materials horizons'
_journal_page_first              2149
_journal_page_last               2159
_journal_paper_doi               10.1039/d2mh01530g
_journal_volume                  10
_journal_year                    2023
_chemical_formula_moiety         'C7 H5 Cl N4'
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_chemical_name_systematic        5-(4-chlorophenyl)-1H-tetrazole
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_space_group_name_Hall           '-P 2yc'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2023-02-21 deposited with the CCDC.	2023-03-01 downloaded from the CCDC.
;
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'Re-crystallisation from solvent: methanol'
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_refine_ls_structure_factor_coef Fsqd
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'w = 1/[\s^2^(Fo^2^)+(0.0600P)^2^+0.1030P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1168
_reflns_Friedel_coverage         0.000
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_reflns_number_total             1728
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           CPHTZ
_cod_depositor_comments
'Adding full bibliography for 1568697--1568703.cif.'
_cod_database_code               1568699
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_shelx_hkl_checksum              74925