Information card for entry 4333400

Structure parameters

• Formula: B16 Cs8 H24 O112 P24 Sc8
• Calculated formula: B2 Cs H3 O14 P3 Sc
• Title of publication: CsSc[B2P3O11(OH)3]: A New Borophosphate Oligomer Containing Boron in Three- and Fourfold Coordination†
• Authors of publication: Menezes, Prashanth W.; Hoffmann, Stefan; Prots, Yurii; Kniep, Rüdiger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7503 - 7508
• a: 13.0529 ± 0.0015 Å
• b: 18.3403 ± 0.0017 Å
• c: 10.3838 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2485.8 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No