Information card for entry 7005423

Structure parameters

• Formula: C6 H26 F10 N4 O2 V2
• Calculated formula: C6 H26 F10 N4 O2 V2
• SMILES: [V](F)(F)(F)(F)(F)[OH2].[V](F)(F)(F)(F)(F)[OH2].[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: 8.66 ± 0.002 Å
• b: 9.16 ± 0.002 Å
• c: 11.64 ± 0.003 Å
• α: 109.46 ± 0.008°
• β: 93.61 ± 0.003°
• γ: 91.86 ± 0.008°
• Cell volume: 867.5 ± 0.4 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: 0.0748
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No