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Information card for entry 2201458
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Coordinates | 2201458.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | tetraaquomesaconatebarium(II) |
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Formula | C5 H12 Ba O8 |
Calculated formula | C5 H12 Ba O8 |
SMILES | [Ba]([OH2])([OH2])([OH2])[OH2].[O-]C(=O)C(=C\C(=O)[O-])\C |
Title of publication | The two-dimensional coordination polymer tetraaquamesaconatobarium(II), [Ba(C~5~H~4~O~4~)(OH~2~)~4~]~<i>n~</i> |
Authors of publication | Alexander Briceño; José Miguel Delgado; Graciela Díaz de Delgado |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 10 |
Pages of publication | m602 - m605 |
a | 8.893 ± 0.001 Å |
b | 7.478 ± 0.001 Å |
c | 16.582 ± 0.002 Å |
α | 90° |
β | 105.13 ± 0.01° |
γ | 90° |
Cell volume | 1064.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0542 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1215 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2201458.html
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