Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest Supramolecular Assemblies Relevant to Molecular Recognition
Suraj Dhungana; Peter S. White; Alvin L. Crumbliss; Journal of the American Chemical Society 125 (2003) 14760–14767; doi:10.1021/ja035778+

data_4114416
_publ_section_title
;
 Crystal and Molecular Structures of Ionophore-Siderophore Host-Guest
 Supramolecular Assemblies Relevant to Molecular Recognition
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14760
_journal_page_last               14767
_journal_paper_doi               10.1021/ja035778+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'Mg0.50 Cl2 Fe C46.67 H84.50 N6 O26.50 '
_chemical_formula_sum            'C46.67 H84.5 Cl2 Fe Mg0.5 N6 O26.5'
_chemical_formula_weight         1292.64
_chemical_name_systematic        ?
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_cell_length_b                   21.5778(15)
_cell_length_c                   14.8013(10)
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_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
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_diffrn_measurement_device       'Bruker SMART 1K'
_diffrn_measurement_method       'Omega scan'
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_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0002F^2^)'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Mg0.50 Cl2 Fe C46.67 H84.50 N6 O26.50 '
_cod_database_code               4114416