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Information card for entry 7249646
Preview
| Coordinates | 7249646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H26 Cu2 N8 O7 |
|---|---|
| Calculated formula | C18 H24 Cu2 N8 O7 |
| Title of publication | Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution |
| Authors of publication | Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 8.3611 ± 0.001 Å |
| b | 8.3611 ± 0.001 Å |
| c | 30.45 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1843.5 ± 0.4 Å3 |
| Cell temperature | 370 ± 1 K |
| Ambient diffraction temperature | 370 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1967 |
| Weighted residual factors for all reflections included in the refinement | 0.2266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296128 (current) | 2024-11-27 | cif/ Adding structures of 7249643, 7249644, 7249645, 7249646, 7249647, 7249648 via cif-deposit CGI script. |
7249646.cif |
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