Information card for entry 4000682

Structure parameters

• Formula: B H11 Mn4.5 N2 O21 P5
• Calculated formula: B H7 Mn4.5 N2 O21 P5
• Title of publication: Synthesis, Structure, and Magnetic Property of a New Open-Framework Manganese Borophosphate, [NH4]4[Mn9B2(OH)2(HPO4)4(PO4)6]
• Authors of publication: Miao Yang; Jihong Yu; Lei Shi; Peng Chen; Guanghua Li; Yan Chen; Ruren Xu; Song Gao
• Journal of publication: Chem. Mater.
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 476 - 481
• a: 32.603 ± 0.007 Å
• b: 10.617 ± 0.002 Å
• c: 10.718 ± 0.002 Å
• α: 90°
• β: 108.26 ± 0.03°
• γ: 90°
• Cell volume: 3523.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No