Information card for entry 2211655

Structure parameters

• Chemical name: Caesium calcium cyclo-triphosphate
• Formula: Ca Cs O9 P3
• Calculated formula: Ca Cs O9 P3
• SMILES: [Cs+].[Ca+2].[O-]P1(=O)OP(=O)([O-])OP(=O)(O1)[O-]
• Title of publication: Caesium calcium <i>cyclo</i>-triphosphate, CsCaP~3~O~9~
• Authors of publication: Zatovsky, Igor V.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: i263 - i265
• a: 9.8287 ± 0.0002 Å
• b: 7.5642 ± 0.0001 Å
• c: 12.7905 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 950.93 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes