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Information card for entry 2005551
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Coordinates | 2005551.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Tetraaqua(orotato)magnesium(II) Hydrate |
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Formula | C5 H12 Mg N2 O9 |
Calculated formula | C5 H12 Mg N2 O9 |
SMILES | [Mg]1(N2C(=O)NC(=O)C=C2C(O1)=O)([OH2])([OH2])([OH2])[OH2].O |
Title of publication | Triclinic Form of Tetraaqua(orotato-<i>N</i>,<i>O</i>)magnesium(II) Hydrate at 153K |
Authors of publication | Mutikainen, I.; Hämäläinen, R.; Klinga, M.; Orama, O.; Turpeinen, U. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 10 |
Pages of publication | 2480 - 2482 |
a | 7.135 ± 0.001 Å |
b | 8.338 ± 0.002 Å |
c | 10.089 ± 0.002 Å |
α | 80.53 ± 0.03° |
β | 71.16 ± 0.03° |
γ | 67.56 ± 0.03° |
Cell volume | 524.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 153 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for all reflections | 0.0859 |
Weighted residual factors for significantly intense reflections | 0.0855 |
Goodness-of-fit parameter for all reflections | 1.06 |
Goodness-of-fit parameter for significantly intense reflections | 1.071 |
Diffraction radiation wavelength | 0.71073 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/2005551.html
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