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Information card for entry 7208385
Preview
Coordinates | 7208385.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H30 Mg N2 O20 P2 |
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Calculated formula | C10 H22 Mg N2 O20 P2 |
SMILES | P(=O)(O[Mg]([OH2])(OC(=O)C[NH+](CP(=O)([O-])O)CC(=O)O)([OH2])([OH2])[OH2])(C[NH+](CC(=O)[O-])CC(=O)O)O.O.O |
Title of publication | Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems |
Authors of publication | Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D. |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 17 |
Pages of publication | 5385 |
a | 7.098 ± 0.002 Å |
b | 26.678 ± 0.008 Å |
c | 12.591 ± 0.003 Å |
α | 90° |
β | 91.191 ± 0.015° |
γ | 90° |
Cell volume | 2383.7 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1624 |
Residual factor for significantly intense reflections | 0.0814 |
Weighted residual factors for significantly intense reflections | 0.1711 |
Weighted residual factors for all reflections included in the refinement | 0.216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7208385.html
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