Information card for entry 7024084

Structure parameters

• Formula: C3 H9 As F N O5 V
• Calculated formula: C3 H9 As F N O5 V
• Title of publication: Catalytic performance of the high and low temperature polymorphs of (C6N2H16)0.5[(VO)(HAsO4)F]: structural, thermal, spectroscopic and magnetic studies.
• Authors of publication: Berrocal, Teresa; Mesa, José L; Pizarro, José L; Bazán, Begoña; Iglesias, Marta; Vilas, José L; Rojo, Teófilo; Arriortua, María I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 834 - 846
• a: 23.0251 ± 0.0018 Å
• b: 7.3224 ± 0.0006 Å
• c: 10.3442 ± 0.0007 Å
• α: 90°
• β: 109.25 ± 0.006°
• γ: 90°
• Cell volume: 1646.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No