Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals
Kumar, Sunil; Priyasha,; Das, Dinabandhu; New Journal of Chemistry 46 (2022) 18465–18470; doi:10.1039/D2NJ03717C

data_7061824
_publ_section_title
;
 Molecular tiltation and supramolecular interactions induced uniaxial NTE
 and biaxial PTE in bis-imidazole-based co-crystals
;
_journal_issue                   38
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18465
_journal_page_last               18470
_journal_paper_doi               10.1039/D2NJ03717C
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C28 H24 N4 O4'
_chemical_formula_weight         480.51
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-16 deposited with the CCDC.	2022-09-06 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-III Photon-II detector'
_diffrn_measurement_method       'phi and omega scan'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0499P)^2^+0.4924P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           BIMB-BPDCA_150K
_cod_depositor_comments
'Adding full bibliography for 7061809--7061825.cif.'
_cod_original_cell_volume        1182.1(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7061824
_shelx_shelxl_version_number     2018/3
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_shelx_estimated_absorpt_t_max   0.995
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