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Information card for entry 7006176
Preview
| Coordinates | 7006176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H72 Al4 La2 P2 |
|---|---|
| Calculated formula | C32 H72 Al4 La2 P2 |
| SMILES | [CH3]1[Al]([CH3][La]2345671([CH3][Al]([CH3]3)(C)C)[P]1([C]2(=[C]4([C]5(=[C]17C)C)C)C)[La]123457([CH3][Al]([CH3]1)(C)C)([CH3][Al]([CH3]2)(C)C)[P]16[C]3(=[C]4([C]5(=[C]17C)C)C)C)(C)C |
| Title of publication | Mono-phosphacyclopentadienyl bis(tetramethylaluminate) lanthanide complexes. |
| Authors of publication | Le Roux, Erwan; Nief, François; Jaroschik, Florian; Törnroos, Karl W; Anwander, Reiner |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 42 |
| Pages of publication | 4866 - 4870 |
| a | 9.7193 ± 0.0002 Å |
| b | 9.9429 ± 0.0003 Å |
| c | 13.2018 ± 0.0003 Å |
| α | 90.35 ± 0.01° |
| β | 108.52 ± 0.01° |
| γ | 115.36 ± 0.01° |
| Cell volume | 1078 ± 0.14 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0134 |
| Residual factor for significantly intense reflections | 0.0127 |
| Weighted residual factors for significantly intense reflections | 0.0343 |
| Weighted residual factors for all reflections included in the refinement | 0.0346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179765 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/61. |
7006176.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006176.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006176.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006176.cif |
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