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Information card for entry 7001274
Preview
| Coordinates | 7001274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H36 F20 Fe4 Li4 N4 O4 |
|---|---|
| Calculated formula | C68 H36 F20 Fe4 Li4 N4 O4 |
| SMILES | [Li]123[O]4([c]56[cH]7[Fe]89%10%11%12%135([c]6([cH]9[cH]78)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[Li]15[O]2([c]26[cH]7[Fe]689%10%11%12%13([c]2([cH]%10[cH]7%11)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]%12[cH]%13[cH]8[cH]91)[Li]12[O]5([c]56[cH]7[Fe]589%10%11%12%13([c]6([cH]9[cH]7%10)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]%13[cH]%12[cH]%11[cH]81)[Li]14[O]23[c]23[cH]4[Fe]356789%10([c]2([cH]5[cH]46)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]7[cH]8[cH]9[cH]%101 |
| Title of publication | Bis(“ferrocene-saliminato”) group 4 metal complexes: synthesis, structural features and use in homogenous Ziegler‒Natta polymerization catalysis |
| Authors of publication | Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 19 |
| Pages of publication | 3731 - 3741 |
| a | 12.0617 ± 0.0003 Å |
| b | 21.5748 ± 0.0006 Å |
| c | 12.9461 ± 0.0003 Å |
| α | 90° |
| β | 100.689 ± 0.001° |
| γ | 90° |
| Cell volume | 3310.49 ± 0.15 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179709 (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 7/00/12. |
7001274.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001274.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001274.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001274.cif |
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Users of the data should acknowledge the original authors of the
structural data.