Information card for entry 4346528

Structure parameters

• Formula: C12 H18 Ca2 O11 P3
• Calculated formula: C12 H18 Ca2 O11 P3
• Title of publication: Calcium Phosphonate Frameworks for Treating Bone Tissue Disorders.
• Authors of publication: Shi, Fa-Nian; Almeida, José C; Helguero, Luisa A.; Fernandes, Maria H. V.; Knowles, Jonathan C.; Rocha, João
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9929 - 9935
• a: 8.1318 ± 0.0007 Å
• b: 10.166 ± 0.0008 Å
• c: 11.3277 ± 0.001 Å
• α: 101.291 ± 0.003°
• β: 93.118 ± 0.003°
• γ: 96.85 ± 0.003°
• Cell volume: 908.85 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No