Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.
Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei; Journal of the American Chemical Society 140 (2018) 6245–6248; doi:10.1021/jacs.8b03833

data_4132425
_publ_section_title
;
 Compression of a Flapping Mechanophore Accompanied by Thermal Void
 Collapse in a Crystalline Phase.
;
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6245
_journal_page_last               6248
_journal_paper_doi               10.1021/jacs.8b03833
_journal_volume                  140
_journal_year                    2018
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_computing_cell_refinement       'CrystalClear (RIGAKU, 2011)'
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;
 RIGAKU diffractometer with MicroMax-007HF generator, 
 VariMax optics, and PILATUS 200K hybrid pixel array detector
;
_diffrn_measurement_method       \w
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1128P)^2^+25.0391P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1783
_refine_ls_wR_factor_ref         0.1827
_reflns_Friedel_coverage         0.000
_reflns_number_gt                44599
_reflns_number_total             50450
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b03833_si_002.cif
_cod_data_source_block           ty1221_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4132425
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              83176