Crystallographic Information Framework

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Core dictionary version 3.0.14

_chemical_formula.moiety

Name:
_chemical_formula.moiety

Alias:
_chemical_formula_moiety

Definition:

   
     Formula with each discrete bonded residue or ion shown as a
     separate moiety. See above CHEMICAL_FORMULA for rules
     for writing chemical formulae. In addition to the general
     formulae requirements, the following rules apply:
    1. Moieties are separated by commas ','.
    2. The order of elements within a moiety follows general rule
       5 in CHEMICAL_FORMULA.
    3. Parentheses are not used within moieties but may surround
       a moiety. Parentheses may not be nested.
    4. Charges should be placed at the end of the moiety. The
       Singlege '+' or '-' may be preceded by a numerical multiplier
       and should be separated from the last (element symbol +
       count) by a space. Pre- or post-multipliers may be used for
       individual moieties.

Examples:

'C7 H4 Cl Hg N O3 S'
'C12 H17 N4 O S 1+, C6 H2 N3 O7 1-'
'C12 H16 N2 O6, 5(H2 O1)'
'(Cd 2+)3, (C6 N6 Cr 3-)2, 2(H2 O)'

Type: Text

Category:
chemical_formula