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Information card for entry 7244527
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| Coordinates | 7244527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H24 Cd N8 O5.43 |
|---|---|
| Calculated formula | C27 H24 Cd N8 O5.433 |
| 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 | 9.0978 ± 0.0011 Å |
| b | 11.7836 ± 0.0014 Å |
| c | 15.1083 ± 0.0019 Å |
| α | 112.627 ± 0.006° |
| β | 97.244 ± 0.006° |
| γ | 99.811 ± 0.006° |
| Cell volume | 1440.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
7244527.cif |
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Users of the data should acknowledge the original authors of the
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