Core dictionary (coreCIF)

Hall, Sydney R.; Allen, Frank H.; Brown, I. David; Toby, Brian H.; Hester, James R.; Vaitkus, Antanas; Rowles, Matthew R.; Bollinger, John C.; Rainer, Daniel N.; McMahon, Brian

doi:10.1107/97809553602060001011

RELATED SITES: IUCr | IUCr Journals

International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)

CIF_CORE_HEAD > EXPTL > CHEMICAL > CHEMICAL_FORMULA

Index

Core dictionary version 3.3.0

_chemical_formula.weight

Name:
_chemical_formula.weight

Alias:
_chemical_formula_weight

Definition:

   
    This mass should correspond to the formulae given under
    _chemical_formula.structural, *.IUPAC, *.moiety or *.sum and,
    together with the Z value and cell parameters, should yield
    the density given as _exptl_crystal.density_diffrn.

Type: Real

Units: dalton

The permitted range is 0.0 → infinity

Category:
chemical_formula

International Tables for Crystallography (2026). Vol. G. Chapter 4.2
https://doi.org/10.1107/97809553602060001011