Information card for entry 7006088

Structure parameters

• Formula: C4 H14 F4 N2 O2 V
• Calculated formula: C4 H14 F4 N2 O2 V
• SMILES: [V](F)(F)(F)(F)([OH2])=O.[NH2+]1CC[NH2+]CC1
• 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: 5.7184 ± 0.0008 Å
• b: 8.2456 ± 0.0012 Å
• c: 9.8105 ± 0.0014 Å
• α: 97.444 ± 0.003°
• β: 101.073 ± 0.003°
• γ: 104.34 ± 0.003°
• Cell volume: 432.13 ± 0.11 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No