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Information card for entry 2015563
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Coordinates | 2015563.cif |
---|---|
Structure factors | 2015563.hkl |
Original IUCr paper | HTML |
Common name | strontium hydrogen l-malate hexahydrate |
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Chemical name | Strontium bis(hydrogen L-malate) hexahydrate |
Formula | C8 H22 O16 Sr |
Calculated formula | C8 H22 O16 Sr |
SMILES | [Sr]12(OC(=O)[C@@H]([OH]1)CC(=O)O)(OC(=O)[C@@H]([OH]2)CC(=O)O)([OH2])([OH2])([OH2])[OH2].O.O |
Title of publication | Supramolecular structure and second harmonic generation in strontium bis(hydrogen <small>L</small>-malate) hexahydrate |
Authors of publication | Matos Gomes, E.; Rodrigues, V. H.; Costa, M.M.R.R.; Nogueira, E.; Belsley, M. S. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 9 |
Pages of publication | m416 - m418 |
a | 7.166 ± 0.003 Å |
b | 15.365 ± 0.005 Å |
c | 15.818 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1741.7 ± 1.1 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0212 |
Weighted residual factors for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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