Information card for entry 7022315

Structure parameters

• Formula: C40 H160 N8 O126.87 P34 V18
• Calculated formula: C39.96 H160.04 N8.04 O126.872 P34 V18
• Title of publication: Amine templated open-framework vanadium(III) phosphites with catalytic properties.
• Authors of publication: Orive, Joseba; Larrea, Edurne S.; Fernández de Luis, Roberto; Iglesias, Marta; Mesa, José L; Rojo, Teófilo; Arriortua, María I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4500 - 4512
• a: 13.4107 ± 0.0003 Å
• b: 13.4107 ± 0.0003 Å
• c: 27.5678 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4293.74 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No