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Information card for entry 4070756
Preview
| Coordinates | 4070756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61.5 H65 Fe Lu N2 O2 Si |
|---|---|
| Calculated formula | C58 H61 Fe Lu N2 O2 Si |
| SMILES | [Lu]1([O]2CCCC2)([O]2CCCC2)(N([c]23[Fe]456789%10([c]([c]4([cH]25)c2ccccc2)([cH]36)c2ccccc2)[c]2([c]7([cH]8[c]9(N1c1ccccc1)[cH]%102)c1ccccc1)c1ccccc1)c1ccccc1)C[Si](C)(C)C |
| Title of publication | Alkyl Complexes of Rare-Earth Metal Centers Supported by Chelating 1,1′-Diamidoferrocene Ligands: Synthesis, Structure, and Application in Methacrylate Polymerization |
| Authors of publication | Eppinger, Jörg; Nikolaides, Katharina R.; Zhang-Presse, Mei; Riederer, Florian A.; Rabe, Gerd W.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 736 |
| a | 12.447 ± 0.003 Å |
| b | 15.072 ± 0.004 Å |
| c | 15.12 ± 0.004 Å |
| α | 69.439 ± 0.004° |
| β | 76.291 ± 0.004° |
| γ | 78.331 ± 0.004° |
| Cell volume | 2558 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0247 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4070756.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070756.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070756.cif |
| 42676 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070756 via cif-deposit CGI script. |
4070756.cif |
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