Information card for entry 4333871

Structure parameters

• Common name: Praseodymium(III) Borate Bromide
• Formula: B6 Br O13.5 Pr
• Calculated formula: B6 Br O13.5 Pr
• Title of publication: A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework
• Authors of publication: Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1965 - 1975
• a: 8.1346 ± 0.0012 Å
• b: 14.819 ± 0.002 Å
• c: 9.8465 ± 0.0015 Å
• α: 90°
• β: 90.153 ± 0.002°
• γ: 90°
• Cell volume: 1187 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No