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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
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at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu