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Item _chemical_formula.iupac
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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 |
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This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu