Information card for entry 7005425

Structure parameters

• Formula: C4 H16 F6 N3 V
• Calculated formula: C4 H16 F6 N3 V
• SMILES: [V](F)(F)(F)([F-])([F-])[F-].[NH3+]CC[NH2+]CC[NH3+]
• 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: 8.6285 ± 0.0014 Å
• b: 10.6742 ± 0.0018 Å
• c: 10.7766 ± 0.0014 Å
• α: 90°
• β: 96.651 ± 0.005°
• γ: 90°
• Cell volume: 985.9 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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 all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No