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Information card for entry 1559540
Preview
| Coordinates | 1559540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)cerium(IV) |
|---|---|
| Formula | C44 H76 Ce O8 |
| Calculated formula | C44 Ce O8 |
| SMILES | [Ce]1234([O]=C(C(C)(C)C)C=C(O1)C(C)(C)C)([O]=C(C(C)(C)C)C=C(O2)C(C)(C)C)(OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C)[O]=C(C(C)(C)C)C=C(O4)C(C)(C)C |
| Title of publication | Structural and Thermal Studies of Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)cerium(IV) |
| Authors of publication | Leskela, Markku; Sillanpaa, Reijo; Niinisto, Lauri; Tiitta, Marja |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 1006 - 1011 |
| a | 12.4 ± 0.01 Å |
| b | 21.37 ± 0.02 Å |
| c | 37.89 ± 0.01 Å |
| α | 90° |
| β | 91.89 ± 0.06° |
| γ | 90° |
| Cell volume | 10035 ± 13 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.096 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274567 (current) | 2022-04-19 | cif/1: Fixing some Z values and formulae |
1559540.cif |
| 259187 | 2020-11-19 | cif/ Adding structures of 1559540 via cif-deposit CGI script. |
1559540.cif |
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Users of the data should acknowledge the original authors of the
structural data.