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Information card for entry 4071001
Preview
| Coordinates | 4071001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H74 N3 Sc Si2 |
|---|---|
| Calculated formula | C48 H74 N3 Sc Si2 |
| SMILES | [Sc]12([n]3c(C(N1c1c(C(C)C)cccc1C(C)C)(C)C)cccc3C(=[N]2c1c(C(C)C)cccc1C(C)C)C)(C[Si](C)(C)C)C[Si](C)(C)C.c1ccccc1 |
| Title of publication | Structure−Reactivity Relationships of Amido-Pyridine-Supported Rare-Earth-Metal Alkyl Complexes |
| Authors of publication | Zimmermann, Melanie; Törnroos, Karl W.; Waymouth, Robert M.; Anwander, Reiner |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 17 |
| Pages of publication | 4310 |
| a | 18.3483 ± 0.0009 Å |
| b | 14.0646 ± 0.0007 Å |
| c | 18.9055 ± 0.0009 Å |
| α | 90° |
| β | 104.824 ± 0.001° |
| γ | 90° |
| Cell volume | 4716.4 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2123 |
| Residual factor for significantly intense reflections | 0.1683 |
| Weighted residual factors for significantly intense reflections | 0.4383 |
| Weighted residual factors for all reflections included in the refinement | 0.464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178599 (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 4/07/10. |
4071001.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071001.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071001.cif |
| 42972 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071001 via cif-deposit CGI script. |
4071001.cif |
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Users of the data should acknowledge the original authors of the
structural data.