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Core CIF Dictionary version 2.3

_chemical_formula_iupac

Name

'_chemical_formula_iupac'

Category: chemical_formula

Data type: char

Example: '[Co Re (C12 H22 P)2 (C O)6].0.5C H3 O H'

Definition

    	
   Formula expressed in conformance with IUPAC rules for inorganic
   and metal-organic compounds where these conflict with the rules
   for any other _chemical_formula_ entries. Typically used for
   formatting a formula in accordance with journal rules. This
   should appear in the data block in addition to the most
   appropriate of the other _chemical_formula_ data names.

   Ref: IUPAC (1990). Nomenclature of Inorganic Chemistry.
        Oxford: Blackwell Scientific Publications.
 


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