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Information card for entry 4063331
Preview
| Coordinates | 4063331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H16 Ge Ti |
|---|---|
| Calculated formula | C14 H16 Ge Ti |
| SMILES | C123[CH]4=[CH]5[CH]6=[CH]7[Ti]89%10%11%122456([c]2([Ge]1(C)C)[cH]9[cH]%11[cH]%12[cH]%102)[CH]3=[CH]78 |
| Title of publication | Synthesis and Reactivity of Silicon- and Germanium-Bridged ansa-Cycloheptatrienyl-Cyclopentadienyl Titanium Complexes |
| Authors of publication | Matthias Tamm; Andreas Kunst; Thomas Bannenberg; Sören Randoll; Peter G. Jones |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Pages of publication | 417 - 424 |
| a | 7.4995 ± 0.0006 Å |
| b | 11.8983 ± 0.001 Å |
| c | 13.9878 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1248.15 ± 0.18 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063331.cif |
| 277847 | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4063331.cif |
| 277846 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4063331.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063331.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063331.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4063331.cif |
| 38 | 2008-01-28 | Adding CIF files from the xyz-extraction/deposit/deposition-2008.01.28/cif/ directory. (Chemistry_Letters-2005-issues10-12 and Organometallics-2006-2007-issue2 ) |
4063331.cif |
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Users of the data should acknowledge the original authors of the
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