Information card for entry 7006085

Structure parameters

• Formula: C12 H40 F16 N6 O6 V4
• Calculated formula: C12 H40 F16 N6 O6 V4
• SMILES: C1C[NH2+]CC[NH2+]1.F[V](F)(F)(F)([OH2])=O.F[V]1(F)(F)([F][V](F)(F)([F]1)(F)=O)=O.[NH2+]1CC[NH2+]CC1.C1C[NH2+]CC[NH2+]1.F[V](F)(F)(F)(=O)[OH2]
• Title of publication: The role of temperature in the solvothermal synthesis of hybrid vanadium oxyfluorides
• Authors of publication: Aldous, David W.; Stephens, Nicholas F.; Lightfoot, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4207
• a: 6.891 ± 0.002 Å
• b: 8.406 ± 0.002 Å
• c: 12.706 ± 0.004 Å
• α: 77.569 ± 0.01°
• β: 84.464 ± 0.013°
• γ: 75.446 ± 0.011°
• Cell volume: 695 ± 0.3 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: 0.05
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No