Information card for entry 4500531

Structure parameters

• Formula: C2 Ca Li O6 P
• Calculated formula: C2 Ca Li O6 P
• 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: 10.11879 ± 0.00025 Å
• b: 8.5936 ± 0.00019 Å
• c: 6.07574 ± 0.00016 Å
• α: 90°
• β: 92.4396 ± 0.0016°
• γ: 90°
• Cell volume: 527.85 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• RFsqd: 0.08546
• Goodness-of-fit parameter for all reflections: 1.48
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No