Information card for entry 7211850

Structure parameters

• Formula: C160 H128 N32 Ni8 O76.53 V24
• Calculated formula: C160 H128 N32 Ni8 O76.539 V24
• Title of publication: Four nodal self-catenated [{Ni8(Bpy)16}V24O68]·8.5(H2O), combining three dimensional metal‒organic and inorganic frameworks
• Authors of publication: Fernández de Luis, Roberto; Urtiaga, Miren Karmele; Mesa, José Luis; Aguayo, Andrés Tomás; Rojo, Teófilo; Arriortua, María Isabel
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1880
• a: 11.2784 ± 0.0013 Å
• b: 22.6 ± 0.003 Å
• c: 22.521 ± 0.005 Å
• α: 104.626 ± 0.014°
• β: 100.215 ± 0.014°
• γ: 96.241 ± 0.009°
• Cell volume: 5394.9 ± 1.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No