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Information card for entry 4070683
Preview
| Coordinates | 4070683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H56 N2 O P Sc Si2 |
|---|---|
| Calculated formula | C39 H56 N2 O P Sc Si2 |
| SMILES | [Sc]1([N](=P(N1c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C |
| Title of publication | New Rare Earth Metal Bis(alkyl)s Bearing an Iminophosphonamido Ligand. Synthesis and Catalysis toward Highly 3,4-Selective Polymerization of Isoprene |
| Authors of publication | Li, Shihui; Miao, Wei; Tang, Tao; Dong, Weimin; Zhang, Xuequan; Cui, Dongmei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 718 |
| a | 20.6332 ± 0.0007 Å |
| b | 20.6332 ± 0.0007 Å |
| c | 38.833 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16532.3 ± 1.5 Å3 |
| Cell temperature | 187 ± 2 K |
| Ambient diffraction temperature | 187 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1442 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (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 4/07/06. |
4070683.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070683.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070683.cif |
| 42643 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070683, 4070684, 4070685, 4070686 via cif-deposit CGI script. |
4070683.cif |
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Users of the data should acknowledge the original authors of the
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