Information card for entry 1007179

Structure parameters

• Chemical name: Calcium disodium cyclo-tetraphosphate 5.5-hydrate
• Formula: Ca H11 Na2 O17.5 P4
• Calculated formula: Ca H11 Na2 O17.5 P4
• SMILES: [Na+].[Ca+2].O.O.[O-]P1(=O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Na+].O.O.O.O
• Title of publication: Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate
• Authors of publication: Averbuch-Pouchot, M T; Durif, A
• Journal of publication: Acta Crystallographica C (39,1983-)
• Year of publication: 1988
• Journal volume: 44
• Pages of publication: 212 - 216
• a: 27.88 ± 0.1 Å
• b: 7.536 ± 0.005 Å
• c: 7.378 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.1 ų
• Number of distinct elements: 5
• Space group number: 28
• Hermann-Mauguin space group symbol: P m a 2
• Hall space group symbol: P 2 -2a
• Residual factor for all reflections: 0.066
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No