Information card for entry 8101445

Structure parameters

• Common name: propionitrile-tantalumpentachloride
• Formula: C3 H5 Cl5 N Ta
• Calculated formula: C3 H5 Cl5 N Ta
• SMILES: [Ta](Cl)(Cl)(Cl)(Cl)(Cl)[N]#CCC
• Title of publication: Crystal structure of pentachloro(propionitrile)tantalum(V), TaCl~5~ (NC-CH~2~-CH~3~) and of pentachloro(propionitrile)niobium(V), NbCl~5~ (NC-CH~2~-CH~3~)
• Authors of publication: Ahmed, Ibrahim Abdelhalim; Blachnik, Roger; Reuter, Hans; Stumpf, Klaus
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 119 - 120
• a: 13.6171 ± 0.0013 Å
• b: 10.128 ± 0.002 Å
• c: 7.962 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1098.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1038
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No