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Information card for entry 7036730
Preview
Coordinates | 7036730.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H28 Mn Na5 O24 |
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Calculated formula | C8 H28 Mn Na5 O24 |
SMILES | [C@@H]1(C(=O)[O-])O[Mn]234(O[C@H]1C(=O)O2)OC([C@@H]([C@H](C(=O)[O-])O4)O3)=O.[Na+].O.O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.O.[Na+].[Na+] |
Title of publication | A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate). |
Authors of publication | Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 42 |
Pages of publication | 18324 - 18328 |
a | 19.8482 ± 0.0014 Å |
b | 6.664 ± 0.002 Å |
c | 9.5173 ± 0.0007 Å |
α | 90° |
β | 113.535 ± 0.004° |
γ | 90° |
Cell volume | 1154.1 ± 0.4 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Ambient diffracton pressure | 1800 kPa |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0569 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for all reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0611 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9978 |
Diffraction radiation wavelength | 0.4859 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7036730.html
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Users of the data should acknowledge the original authors of the
structural data.