Data Item _chemical_formula.iupac
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General 
- Item name
- _chemical_formula.iupac
- Category name
- chemical_formula
- Attribute name
- iupac
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item 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.
Item Example
[Co Re (C12 H22 P)2 (C O)6].0.5C H3 O H
Data Type 
- Data type code
- text
- Data type detail
- text item types / multi-line text ...
- Primitive data type code
- char
- Regular expression
- [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _chemical_formula_iupac | cif_core.dic | 2.0.1 |