Information card for entry 7051937

Structure parameters

• Formula: C12 H10 N2 Ni O6 V2
• Calculated formula: C12 H10 N2 Ni O6 V2
• Title of publication: Topological description of a 3D self-catenated nickel hybrid vanadate Ni(bpe)(VO3)2. Thermal stability, spectroscopic and magnetic properties
• Authors of publication: Fernández de Luis, Roberto; Mesa, José L.; Urtiaga, Miren K.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 1582
• a: 14.9066 ± 0.0005 Å
• b: 7.6269 ± 0.0002 Å
• c: 26.9624 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3065.39 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No