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Information card for entry 4070498
Preview
| Coordinates | 4070498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H33 Cl Ti |
|---|---|
| Calculated formula | C25 H33 Cl Ti |
| SMILES | [Ti]123456789(Cl)([C]%10([CH]1=[CH]2[CH]3=[CH]4%10)=[C]15C2CC3CC1CC(C2)C3)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C |
| Title of publication | Low-Valent Pentafulvene Titanium Dinitrogen Complex as a Precursor for Cationic Titanium Complexes |
| Authors of publication | Scherer, Axel; Haase, Detlev; Saak, Wolfgang; Beckhaus, Rüdiger; Meetsma, Auke; Bouwkamp, Marco W. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 24 |
| Pages of publication | 6969 |
| a | 11.9442 ± 0.0004 Å |
| b | 12.3237 ± 0.0005 Å |
| c | 15.8577 ± 0.0006 Å |
| α | 112.906 ± 0.004° |
| β | 91.906 ± 0.004° |
| γ | 93.567 ± 0.004° |
| Cell volume | 2141.77 ± 0.15 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178593 (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 4/07/04. |
4070498.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070498.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070498.cif |
| 40741 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070497, 4070498, 4070499, 4070500, 4070501 via cif-deposit CGI script. |
4070498.cif |
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Users of the data should acknowledge the original authors of the
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