Systematic screening for k type phase transitions – general approach and positive example for a binuclear Cu(ii) paddlewheel structure
Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli; CrystEngComm 23 (2021) 841–849; doi:10.1039/D0CE01559H

data_7241779
_publ_section_title
;
 Systematic screening for k type phase transitions -- general approach and
 positive example for a binuclear Cu(ii) paddlewheel structure
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              841
_journal_page_last               849
_journal_paper_doi               10.1039/D0CE01559H
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C32 H28 Cu2 I4 O10'
_chemical_formula_sum            'C32 H28 Cu2 I4 O10'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2020-10-21 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker D8 gonimeter with APEX CCD detector'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+1.5000P] 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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'Adding full bibliography for 7241776--7241783.cif.'
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