Acta Crystallographica Section B

Structural Science

Volume 58, Part 5 (October 2002)

Acta Cryst. (2002). B58, 884-892 [doi:10.1107/S0108768102010261]

Some errors from the crystallographic literature, some amplifications and a questionable result

F. H. Herbstein, S. Hu and M. Kapon

Abstract: The space groups of {[Mo₂(O₂CCH₃)₄(`linker')]_n} are corrected from P $\bar 1$ to C2/m for `linker' = pyrazine and 1,4-diazabicyclo[2.2.2]octane (dabco) and from P $\bar 1$ to C2/c for `linker' = 4,4'-bipyridine. Also, {[tris-(2-pyridylmethyl)amine]BrV( [bold mu] -O)VBr[tris-(2-pyridylmethyl)amine]}Br·H₂O is corrected from $P\bar1$ to C2/c. These Laue class changes allow more reliable crystallochemical comparisons to be made among families of related structures. Space groups are correctedfor 4-methyl-2,6-bis(4-methylbenzylidene)cyclohexanone, 2,6-bis(4-dimethylaminobenzylidene)cyclohexanone, K[Cr(tetramethylenediamine-N,N,N',N'-tetraacetate)]·H₂O and {bis(11,-11-dimethyl-3,4:8,9-dibenzobicyclo[4.4.1]undeca-3,8-diene)-(tetracyanoethylene)}. The conflicting reports for Cu(H₂O)-(phenanthroline)₂(X)₂, where X = ClO₄, NO₃ and BF₄, are resolved. Three related examples of open framework host-guest structures with space groups `Cc or C2/c' are discussed. Adding centers to 2,2'-bi-1H-imidazolium dipicrate and {tris(2,2'-bi-1H-imidazole)bis[2-(2-1H-imidazolyl)-1H-imidazolium]bis(iodide)} corrects discrepancies of up to 0.38 Å between chemically similar hydrogen-bond distances. Wrongly identified atoms are corrected in [bold theta] -[bis(ethylenedithio)tetrathiafulvalene]₂ (CsCd)(SCN)₄ and (purported) diaquadihydroxotetrakis(m-nitrobenzenesulfonate)discandium(III). The reported difference between the crystal structure of (CH₃NH₃)₄YbCl₇ and those of the other members of this family of (CH₃NH₃)₄MX₇ (M = In, Fe, V; X = Cl, Br) structures is pointed out in the context of possibly different N-HCl hydrogen bonding in the Yb structure.

Online 24 September 2002


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