Index

Core dictionary (coreCIF) version 2.4.5

_chemical_formula_structural

Name:
'_chemical_formula_structural'

Definition:

   See the _chemical_formula_[] 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 in this formula (see also
   _chemical_formula_analytical).

Examples:

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

Type: char

Category: chemical_formula