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Information card for entry 2010177
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Coordinates | 2010177.cif |
---|---|
Original IUCr paper | HTML |
Common name | hexa-aqua-magnesium bis(p-chloro-trans-cinnamate) |
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Chemical name | hexa-aqua-magnesium bis(4-chloro-(E)-3-phenyl-2-propenoate |
Formula | C18 H24 Cl2 Mg O10 |
Calculated formula | C18 H24 Cl2 Mg O10 |
SMILES | c1c(Cl)ccc(/C=C/C(=O)[O-])c1.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].C(=O)(/C=C/c1ccc(cc1)Cl)[O-] |
Title of publication | Monohydrate sodium and hexaaquamagnesium <i>p</i>-chloro-<i>trans</i>-cinnamates |
Authors of publication | Kariuki, B.M.; Valim, J.B.; Jones, W.; King, J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1994 |
Journal volume | 50 |
Journal issue | 11 |
Pages of publication | 1665 - 1667 |
a | 5.779 ± 0.001 Å |
b | 5.3 ± 0.003 Å |
c | 35.811 ± 0.005 Å |
α | 90° |
β | 95.06 ± 0.02° |
γ | 90° |
Cell volume | 1092.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0446 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for all reflections | 0.0996 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Goodness-of-fit parameter for all reflections | 1.094 |
Goodness-of-fit parameter for significantly intense reflections | 1.18 |
Diffraction radiation wavelength | 0.71069 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/2010177.html
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structural data.