Information card for entry 4511022

Structure parameters

• Formula: C3 H9 Ca O7 P
• Calculated formula: C3 H9 Ca O7 P
• Title of publication: Novel calcium carboxyphosphonate/polycarboxylate inorganic-organic hybrid materials from demineralization of calcitic biomineral surfaces.
• Authors of publication: Demadis, Konstantinos D.; Anagnostou, Zafeiria; Zhao, Hong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2009
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 35 - 38
• a: 5.5362 ± 0.0006 Å
• b: 18.135 ± 0.004 Å
• c: 7.915 ± 0.002 Å
• α: 90°
• β: 95.013 ± 0.017°
• γ: 90°
• Cell volume: 791.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No