| | 1 | Author
| Klaus Diem, Thomas Hahn, Wilhelm Kuchen+, DietrichM. Ootz+, WolfgangPeter Poll, Tommes | Requires cookie* | | | Title
| Kristallstruktur von (CO)5CrPH2COOH und ab m/r/ö-Berechnung des hypothetischen freien Liganden [H2PCOOH]2 -ein Vergleich Crystal Structure of (C O )5CrPH2CO O H and ab initio Calculation of the Hypothetical Free Ligand [H2PC O O H ] 2 -a Comparison  | | | | Abstract
| Crystal structure analysis of (C O)5CrPH2COOH (a = 1338.2, b = 622.6, c = 1161.5 pm, ß = 96,77°, P 2 1/c, Z = 4, R -0.0330) has shown the complex to be dimerized via hydrogen-bonds of the COOH group. Geom etrical parameters of the hypothetical free ligand [H2PCO O H ]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 o f 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. | | | |
Reference
| Z. Naturforsch. 50b, 209 (1995); eingegangen am 7. September 1994 | | | |
Published
| 1995 | | | |
Keywords
| Crystal Structure, Chromium Complex, Phosphinoformic Acid, Hydroxycarbonylphosphine | | | |
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| default:Reihe_B/50/ZNB-1995-50b-0209.pdf | | | | Identifier
| ZNB-1995-50b-0209 | | | | Volume
| 50 | |
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