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Information card for entry 1007218
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Coordinates | 1007218.cif |
---|
Chemical name | Calcium sodium cyclo-tetraphosphate hydrate (1/2/4/5.5) |
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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 Å3 |
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 |
Duplicate of | 1007179 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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