Information card for entry 4121588

Structure parameters

• Formula: C24 Ca2 O23 P3
• Calculated formula: C24 Ca2 O23 P3
• Title of publication: Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.
• Authors of publication: Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 15
• Pages of publication: 5731
• a: 23.0652 ± 0.0007 Å
• b: 6.97311 ± 0.0001 Å
• c: 22.4165 ± 0.0007 Å
• α: 90°
• β: 91.54 ± 0.004°
• γ: 90°
• Cell volume: 3604.08 ± 0.17 ų
• Cell temperature: 25 K
• Ambient diffraction temperature: 25 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• RFsqd: 0.1347
• Goodness-of-fit parameter for all reflections: 7.07
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6202 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No