Information card for entry 7005428

Structure parameters

• Formula: C6 H22 F8 N4 O2 V2
• Calculated formula: C6 H22 F8 N4 O2 V2
• SMILES: C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].F[V]1(F)(=O)(F)[F][V](F)([F]1)(F)(F)=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: 7.9286 ± 0.0019 Å
• b: 10.591 ± 0.003 Å
• c: 8.497 ± 0.002 Å
• α: 90°
• β: 97.834 ± 0.006°
• γ: 90°
• Cell volume: 706.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No