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Information card for entry 2012720
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| Coordinates | 2012720.cif |
|---|---|
| Structure factors | 2012720.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquatetrakis(trimethylphosphine oxide-κO)cerium(III) trichloride trihydrate |
|---|---|
| Formula | C12 H50 Ce Cl3 O11 P4 |
| Calculated formula | C12 H50 Ce Cl3 O11 P4 |
| SMILES | [Ce]([OH2])([OH2])([OH2])([OH2])([O]=P(C)(C)C)([O]=P(C)(C)C)([O]=P(C)(C)C)[O]=P(C)(C)C.[Cl-].[Cl-].[Cl-].O.O.O |
| Title of publication | Tetraaquatetrakis(trimethylphosphine oxide-κ<i>O</i>)cerium(III) trichloride trihydrate |
| Authors of publication | Hill, Nicholas J.; Leung, Lai-Shi; Levason, William; Webster, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 5 |
| Pages of publication | m295 - m296 |
| a | 10.2753 ± 0.001 Å |
| b | 11.1003 ± 0.001 Å |
| c | 15.6822 ± 0.0015 Å |
| α | 70.406 ± 0.01° |
| β | 82.483 ± 0.01° |
| γ | 74.161 ± 0.01° |
| Cell volume | 1619.6 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.