Information card for entry 4513011

Structure parameters

• Formula: C18 H80 B24 N12 O79.23 V10
• Calculated formula: C18 H80 B24 N12 O79.224 V10
• Title of publication: First Non-Centrosymmetric Deca-Vanadoborate with Borate Vacancies, Self-Assembled around a 1,3-Propanediammonium Cation
• Authors of publication: Muñoz-Becerra, Karina; Hermosilla-Ibáñez, Patricio; Le Fur, Eric; Cador, Olivier; Paredes-García, Verónica; Spodine, Evgenia; Venegas-Yazigi, Diego
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2561
• a: 16.3012 ± 0.0002 Å
• b: 16.5873 ± 0.0002 Å
• c: 17.1743 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4643.81 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No