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Information card for entry 4073743
Preview
| Coordinates | 4073743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H29 Cl F10 N P Zr |
|---|---|
| Calculated formula | C43 H29 Cl F10 N P Zr |
| SMILES | [Zr]123456789(Cl)([N](=C1C(=C(C#Cc1ccccc1)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)C(C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91 |
| Title of publication | Formation and Structural and Dynamic Features of Atropisomeric η2-Iminoacyl Zirconium Complexes |
| Authors of publication | Spies, Patrick; Kehr, Gerald; Kehr, Seda; Fröhlich, Roland; Erker, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 5612 |
| a | 12.5348 ± 0.0002 Å |
| b | 17.3494 ± 0.0003 Å |
| c | 18.25 ± 0.0003 Å |
| α | 90° |
| β | 103.452 ± 0.001° |
| γ | 90° |
| Cell volume | 3859.97 ± 0.11 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1849 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178626 (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 4/07/37. |
4073743.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073743.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073743.cif |
| 46521 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073743 via cif-deposit CGI script. |
4073743.cif |
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Users of the data should acknowledge the original authors of the
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