From Proton Disorder to Proton Migration: A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State
Parkin, Andrew; Wozniak, Krzysztof; Wilson, Chick C.; Crystal Growth & Design 7 (2007) 1393–; doi:10.1021/cg0606848

data_4511346
_publ_section_title
;
 From Proton Disorder to Proton Migration:&#x00A0; A Continuum in the
 Hydrogen Bond of a Proton Sponge in the Solid State
;
_journal_issue                   8
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              1393
_journal_paper_doi               10.1021/cg0606848
_journal_volume                  7
_journal_year                    2007
_chemical_formula_moiety         'C22 H22 Cl2 N2 O4'
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_atom_sites_solution_primary     direct
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_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
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_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
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_exptl_crystal_description       prism
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_refine_ls_weighting_details
;
 p=(max(Fo^2^,0) + 2Fc^2^)/3 
 Method = SHELXL 97 (Sheldrick, 1997) 
 w=1/[sigma^2^(F^2^) + 0.08 + 0.68p] 
;
_refine_ls_weighting_scheme      calc
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_reflns_limit_k_min              -12
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_oxford_refine_ls_scale          1.244(7)
_oxford_structure_analysis_title ap90
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_cod_data_source_block           250k
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1049.14(7)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4511346