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Information card for entry 4507457
Preview
Coordinates | 4507457.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H18 Co N2 O12 |
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Calculated formula | C24 H18 Co N2 O12 |
SMILES | [Co]12(OC(=O)C[O]1c1c(OCC(=O)[O-])cccc1OCC(=O)O)([OH2])([OH2])[n]1cccc3ccc4ccc[n]2c4c13.O |
Title of publication | Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties |
Authors of publication | Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 1059 |
a | 10.0678 ± 0.0006 Å |
b | 11.5713 ± 0.0005 Å |
c | 11.7061 ± 0.0008 Å |
α | 82.629 ± 0.004° |
β | 70.752 ± 0.006° |
γ | 80.001 ± 0.004° |
Cell volume | 1264.24 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0701 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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