Information card for entry 2017431

Structure parameters

• Common name: Borophosphate hydroxide
• Chemical name: Potassium pentanickel hexaborophosphate tridecahydroxide
• Formula: B12 H26 K2 Ni10 O72 P12
• Calculated formula: B12 H26 K2 Ni10 O72 P12
• Title of publication: 12-Membered borophosphate rings in KNi~5~[P~6~B~6~O~23~(OH)~13~]
• Authors of publication: Yakubovich, Olga V.; Steele, Ian M.; Massa, Werner; Dimitrova, Olga V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: i94 - i98
• a: 13.467 ± 0.002 Å
• b: 13.467 ± 0.002 Å
• c: 13.467 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2442.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes