Electronic Resource
Copenhagen
:
International Union of Crystallography (IUCr)
Acta crystallographica
53 (1997), S. 885-894
ISSN:
1600-5740
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
A new expression is devised empirically to accommodate zero and some negative oxidation states in the bond-valence sum approach. The method is worked out in detail for a number of homoleptic copper and nickel complexes of various coordinating atoms in several oxidation states of the metals. An implication of the expression is a linear variation between 1/req and 1/rax in octahedral MX6 moieties, where req and rax are, respectively, the average equatorial and axial bond lengths. This is verified in Cu2+X6 chromophores for X = F, O, N and S. The usefulness of the new expression in assessing the compatibility of a coordination sphere with an oxidation state of a metal ion is demonstrated by exemplary applications to some inorganic complexes, azurin and urease.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108768197008240
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