Macromolecular dictionary (mmCIF) version 2.0.09

_chemical_formula.iupac

Name:
'_chemical_formula.iupac'

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.

Example:

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

Type: text

Mandatory item: no

Alias:
_chemical_formula_iupac (cif_core.dic version 2.0.1)

Category: chemical_formula