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Information card for entry 7713091
Preview
| Coordinates | 7713091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H22 Cu N4 O3 |
|---|---|
| Calculated formula | C12 H22 Cu N4 O3 |
| Title of publication | Spectroscopic characterization and reactivity of a high valent (L)Cu(III) species supported by proline-based pseudo peptide |
| Authors of publication | Eerlapally, Raju; Gupta, Sikha; Awasthi, Ayushi; Kumar, Rakesh; Draksharapu, Apparao |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 8.5368 ± 0.0004 Å |
| b | 8.5368 ± 0.0004 Å |
| c | 17.4591 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1101.9 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0202 |
| Residual factor for significantly intense reflections | 0.0196 |
| Weighted residual factors for significantly intense reflections | 0.0503 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283880 (current) | 2023-05-19 | cif/ Adding structures of 7713091 via cif-deposit CGI script. |
7713091.cif |
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