Information card for entry 4309995

Structure parameters

• Formula: B Cu0.5 H3 O6 P
• Calculated formula: B Cu0.5 H3 O6 P
• Title of publication: A Novel Open-Framework Copper Borophosphate: Cu(H2O)2[B2P2O8(OH)2]
• Authors of publication: Hengzhen Shi; Min Li; Hejin Tangbo; Aiguo Kong; Bo Chen; Yongkui Shan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8179 - 8181
• a: 13.487 ± 0.007 Å
• b: 8.331 ± 0.004 Å
• c: 7.827 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 879.4 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No