Information card for entry 8101492

Structure parameters

• Formula: C8 H7 Cl5 N Nb
• Calculated formula: C8 H7 Cl5 N Nb
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[N]#CCc1ccccc1
• Title of publication: Crystal structure of pentachloro(phenylacetonitrile)niobium(V), (C6H5CH2CN)NbCl5
• Authors of publication: Stumpf, Klaus; Blachnik, Roger; Reuter, Hans
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 279 - 280
• a: 7.403 ± 0.001 Å
• b: 15.916 ± 0.003 Å
• c: 11.344 ± 0.002 Å
• α: 90°
• β: 94.38 ± 0.02°
• γ: 90°
• Cell volume: 1332.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0692
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No