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Information card for entry 2233197
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Coordinates | 2233197.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato- κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II) |
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Formula | C12 H10 Cu N4 O12 |
Calculated formula | C12 H10 Cu N4 O12 |
Title of publication | Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II) |
Authors of publication | Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 1 |
Pages of publication | m46 |
a | 6.5327 ± 0.0007 Å |
b | 9.7963 ± 0.001 Å |
c | 12.2562 ± 0.0012 Å |
α | 90° |
β | 102.86 ± 0.02° |
γ | 90° |
Cell volume | 764.68 ± 0.15 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.038 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/2233197.html
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