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Information card for entry 7244526
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| Coordinates | 7244526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 Cd N8 O6.33 |
|---|---|
| Calculated formula | C28 H28 Cd N8 O6.329 |
| Title of publication | Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate. |
| Authors of publication | Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 8.942 ± 0.001 Å |
| b | 25.226 ± 0.003 Å |
| c | 13.604 ± 0.002 Å |
| α | 90° |
| β | 105.54 ± 0.04° |
| γ | 90° |
| Cell volume | 2956.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273182 (current) | 2022-03-01 | cif/ Adding structures of 7244525, 7244526, 7244527 via cif-deposit CGI script. |
7244526.cif |
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Users of the data should acknowledge the original authors of the
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