Information card for entry 7005422

Structure parameters

• Formula: C4 H18 F5 N3 O2 V
• Calculated formula: C4 H18 F5 N3 O2 V
• SMILES: [V](F)(F)(F)(F)(F)=O.[NH3+]CC[NH2+]CC[NH3+].O
• Title of publication: Hydrothermal chemistry of oligomeric vanadium oxyfluorides.
• Authors of publication: Aldous, David W.; Stephens, Nicholas F.; Lightfoot, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2271 - 2282
• a: 8.6994 ± 0.001 Å
• b: 12.5576 ± 0.0013 Å
• c: 9.8201 ± 0.0011 Å
• α: 90°
• β: 100.011 ± 0.003°
• γ: 90°
• Cell volume: 1056.4 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No