Information card for entry 7005424

Structure parameters

• Formula: C6 H28 F8 N4 O5 V2
• Calculated formula: C6 H28 F8 N4 O5 V2
• SMILES: [V](F)(F)(F)(F)(=O)[OH2].[V](=O)([OH2])(F)(F)(F)F.O.[NH3+]CC[NH2+]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: 8.884 ± 0.004 Å
• b: 9.143 ± 0.004 Å
• c: 11.951 ± 0.005 Å
• α: 103.008 ± 0.006°
• β: 108.336 ± 0.008°
• γ: 92.849 ± 0.007°
• Cell volume: 890.2 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No