Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations
Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy; Journal of Materials Chemistry C 5 (2017) 7352–; doi:10.1039/C7TC01758H

data_7236801
_publ_section_title
;
 Altering polarization attributes in ferroelectric metallo-cavitands by
 varying hydrated alkali-metal guest cations
;
_journal_issue                   29
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              7352
_journal_paper_doi               10.1039/C7TC01758H
_journal_volume                  5
_journal_year                    2017
_chemical_absolute_configuration unk
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_space_group_name_Hall           'I 4 2'
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_audit_update_record
;
2017-04-12 deposited with the CCDC.
2017-07-05 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_exptl_crystal_preparation       ', Ferroelectric and dielectric'
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'Re-crystallisation from solvent: Methanol and water'
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.38(10)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1747P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1996
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_cod_data_source_file            c7tc01758h2.cif
_cod_data_source_block           compound_Hy-Na_2_sq
_cod_original_cell_volume        10622(12)
_cod_original_formula_sum        'C128 H202.50 Co4 N40.25 Na0.25 O74 P8'
_cod_database_code               7236801
_shelx_shelxl_version_number     2014/7
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