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Information card for entry 7019211
Preview
Coordinates | 7019211.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H14 Mg N4 O8 |
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Calculated formula | C8 H14 Mg N4 O8 |
SMILES | c1nc(O[Mg]([OH2])([OH2])(Oc2cc(=O)[nH]cn2)([OH2])[OH2])cc(=O)[nH]1 |
Title of publication | Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue. |
Authors of publication | Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 27 |
Pages of publication | 8354 - 8360 |
a | 5.1545 ± 0.001 Å |
b | 13.94 ± 0.003 Å |
c | 9.1871 ± 0.0018 Å |
α | 90° |
β | 98.45 ± 0.03° |
γ | 90° |
Cell volume | 653 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0409 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0844 |
Weighted residual factors for all reflections included in the refinement | 0.0936 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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