Crystallographic Information Framework

[CIF logo]

Index

Core dictionary version 3.0.14

_chemical_formula.structural

Name:
_chemical_formula.structural

Alias:
_chemical_formula_structural

Definition:

   
     This formula should correspond to the structure as reported, i.e.
     trace elements not included in atom type and atom site lists should
     not be included. See category description for the rules for writing
     chemical formulae for inorganics, organometallics, metal complexes
     etc., in which  bonded groups are preserved as discrete entities
     within parentheses, with post-multipliers as required. The order of
     the elements should give as much information as possible about the
     chemical structure.  Parentheses may be used and nested as required.
     This formula should correspond to the structure as actually reported,
     i.e. trace elements not included in atom-type and atom-site lists
     should not be included (see also _chemical_formula.analytical).

Examples:

'(Pt (N H3)2 (C5 H7 N3 O)2) (Cl O4)2'
'Ca ((Cl O3)2 O)2 (H2 O)6'

Type: Text

Category:
chemical_formula