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Information card for entry 2244202
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| Coordinates | 2244202.cif |
|---|---|
| Structure factors | 2244202.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquadinitratobis(4-nitroaniline)copper(II) |
|---|---|
| Formula | C12 H16 Cu N6 O12 |
| Calculated formula | C12 H16 Cu N6 O12 |
| SMILES | c1(ccc(cc1)N(=O)=O)[NH2][Cu](ON(=O)=O)([OH2])([NH2]c1ccc(cc1)N(=O)=O)(ON(=O)=O)[OH2] |
| Title of publication | Synthesis, structure and Hirshfeld surface analysis of diaquadinitratobis(4-nitroaniline)copper(II) |
| Authors of publication | Kamolov, Sanjar; Babaev, Bakhrom; Ibragimov, Aziz; Yakubov, Yuldash; Abdullaev, Akhrorjon; Ibragimov, Bakhtiyar; Ashurov, Jamshid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 12 |
| a | 5.4741 ± 0.0002 Å |
| b | 22.5679 ± 0.0006 Å |
| c | 7.6478 ± 0.0002 Å |
| α | 90° |
| β | 92.286 ± 0.003° |
| γ | 90° |
| Cell volume | 944.05 ± 0.05 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278947 (current) | 2022-11-05 | cif/ hkl/ Adding structures of 2244202 via cif-deposit CGI script. |
2244202.cif 2244202.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.