In:
Zeitschrift für Naturforschung B, Walter de Gruyter GmbH, Vol. 50, No. 2 ( 1995-2-1), p. 209-212
Abstract:
Crystal structure analysis of (CO) 5 CrPH 2 COOH (a = 1338.2, b = 622.6, c = 1161.5 pm, β = 96,77°, P2 1 /c, Z = 4, R = 0.0330) has shown the complex to be dimerized via hydrogen-bonds of the COOH group. Geometrical parameters of the hypothetical free ligand [H 2 PCOOH] 2 were calculated using the HF/3-21 G*, HF/6-31G** and MP2-FU/6-31 G** basis sets. Bond lengths and bond angles of the calculated free ligand are similar to those derived from the crystal structure analysis of the coordinated ligand and are not significantly influenced by coordination and/or intermolecular interactions.
Type of Medium:
Online Resource
ISSN:
1865-7117
,
0932-0776
DOI:
10.1515/znb-1995-0209
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
1995
detail.hit.zdb_id:
2078109-X
detail.hit.zdb_id:
124635-5
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