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Information card for entry 4079029
Preview
| Coordinates | 4079029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H60 Al2 Nd O4 P Si |
|---|---|
| Calculated formula | C27 H60 Al2 Nd O4 P Si |
| SMILES | [Nd]12345678(P9[C]5(=[C]4([C]3(=[C]19C)C)C)C)([CH3][Al]([CH3]6)(C)[CH3]8)[O]([Si]([O]2C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[Al]([CH3]7)(C)C |
| Title of publication | Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15 |
| Authors of publication | Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 18 |
| Pages of publication | 6526 |
| a | 15.8985 ± 0.0006 Å |
| b | 16.4376 ± 0.0007 Å |
| c | 27.0644 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7072.8 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178679 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/90. |
4079029.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079029.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079029.cif |
| 72287 | 2013-01-21 | cif/ Adding structures of 4079029, 4079030 via cif-deposit CGI script. |
4079029.cif |
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Users of the data should acknowledge the original authors of the
structural data.