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Information card for entry 7025172
Preview
Coordinates | 7025172.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Na4(Cr(D-MannH-3)2)*NO3 |
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Formula | C12 H35 Cr N Na4 O23.5 |
Calculated formula | C12 H34 Cr N0.922 Na4 O23.247 |
SMILES | N(=O)(=O)[O-].[Na+].O1[C@H]2[C@@H]3[C@H]([C@@H]([C@H](O)CO)O2)O[Cr]241(O[C@H]1[C@H](O[C@@H](O4)[C@H]1O2)[C@H](O)CO)O3.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O |
Title of publication | The tridentate metal-binding sites of the common glycoses. |
Authors of publication | Ghaschghaie, Natascha; Hoffmann, Thomas; Steinborn, Martin; Klüfers, Peter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 23 |
Pages of publication | 5535 - 5543 |
a | 8.3571 ± 0.0001 Å |
b | 17.7714 ± 0.0003 Å |
c | 9.2378 ± 0.0002 Å |
α | 90° |
β | 96.1433 ± 0.0009° |
γ | 90° |
Cell volume | 1364.09 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.1224 |
Weighted residual factors for all reflections included in the refinement | 0.1268 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7025172.html
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Users of the data should acknowledge the original authors of the
structural data.