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Information card for entry 2200764
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| Coordinates | 2200764.cif |
|---|---|
| Structure factors | 2200764.hkl |
| Original IUCr paper | HTML |
| Chemical name | tris(2,4-pentadionato)(1,10-phenanthroline)samarium(III) |
|---|---|
| Formula | C27 H29 N2 O6 Sm |
| Calculated formula | C27 H29 N2 O6 Sm |
| SMILES | [Sm]1234(OC(C)=CC(=[O]1)C)(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]3)C)C)[n]1cccc3c1c5c(cc3)ccc[n]45 |
| Title of publication | Low-temperature structure of a twinned crystal of tris(2,4-pentanedionato)(1,10-phenanthroline)samarium(III) |
| Authors of publication | Urs, Usha K.; Shalini, K.; Cameron, T. S.; Shivashankar, S. A.; Guru Row, T. N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | m457 - m458 |
| a | 9.432 ± 0.002 Å |
| b | 20.957 ± 0.005 Å |
| c | 14.728 ± 0.003 Å |
| α | 90° |
| β | 98.899 ± 0.009° |
| γ | 90° |
| Cell volume | 2876.2 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.323 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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