Information card for entry 7721105

Structure parameters

• Formula: B Ca0.5 Cd H6 O11 P2
• Calculated formula: B Ca0.5 Cd H6 O11 P2
• Title of publication: Weakly Coordinating Borophosphates – Ca0.5M(H2O)2[B(PO4)2]•H2O (M = Mg, Mn, Co, Zn, Cd)
• Authors of publication: Wessels, Vivien; Mikuta, Martina; Höppe, Henning A.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.679 ± 0.002 Å
• b: 9.679 ± 0.002 Å
• c: 15.927 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1292.2 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No