Information card for entry 8101526

Structure parameters

• Formula: C8 H4 Cl5 F3 N Nb
• Calculated formula: C8 H4 Cl5 F3 N Nb
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[N]#Cc1cccc(c1)C(F)(F)F
• Title of publication: Crystal structure of {3-(trifluormethyl)benzonitrile}pentachloro-niobium(V), NbCl~5~(m-CF~3~)C~6~H~4~CN
• Authors of publication: Stumpf, Klaus; Blachnik, Roger; Roth, Georg
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 397 - 398
• a: 5.848 ± 0.001 Å
• b: 12.707 ± 0.001 Å
• c: 18.919 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1405.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0324
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No