Information card for entry 4500530

Structure parameters

• Formula: C8 Ca5 O30 P4
• Calculated formula: C8 Ca5 O30 P4
• Title of publication: Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening
• Authors of publication: Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1713
• a: 29.7116 ± 0.0004 Å
• b: 8.84842 ± 0.00009 Å
• c: 11.31039 ± 0.00009 Å
• α: 90°
• β: 93.24 ± 0.0008°
• γ: 90°
• Cell volume: 2968.76 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• RFsqd: 0.13181
• Goodness-of-fit parameter for all reflections: 4.02
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.2998 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No