Item _chemical_formula.iupac
Description
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.
Category
chemical_formula
Item Examples
Example 1:
[Co Re (C12 H22 P)2 (C O)6].0.5C H3 O H
Mandatory Code
no
Data Type Code
text
Alias Names
| Alias Name |
Dictionary |
Version |
| _chemical_formula_iupac |
cif_core.dic |
2.0.1 |