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Information card for entry 4072136
Preview
| Coordinates | 4072136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H46 F2 Ti |
|---|---|
| Calculated formula | C30 H46 F2 Ti |
| SMILES | [cH]12[c]3([cH]4[cH]5[cH]1[Ti]16782345([cH]2[c]8([cH]7[cH]6[cH]12)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)(F)F)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C |
| Title of publication | Menthyl-Substituted Group 4 Metallocene Dihalides |
| Authors of publication | Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5846 |
| a | 15.3556 ± 0.0015 Å |
| b | 15.3556 ± 0.0015 Å |
| c | 5.7986 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1367.3 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 77 |
| Hermann-Mauguin space group symbol | P 42 |
| Hall space group symbol | P 4c |
| Residual factor for all reflections | 0.1071 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.79 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072136.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072136.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072136.cif |
| 44254 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072132, 4072133, 4072134, 4072135, 4072136, 4072137 via cif-deposit CGI script. |
4072136.cif |
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Users of the data should acknowledge the original authors of the
structural data.