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Information card for entry 4063274
Preview
| Coordinates | 4063274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H45 Cl2 Ti |
|---|---|
| Calculated formula | C43 H45 Cl2 Ti |
| Title of publication | Chiral Bis(η5:η1-pentafulvene)titanium Complexes |
| Authors of publication | Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 2 |
| Pages of publication | 339 - 348 |
| a | 10.8634 ± 0.0005 Å |
| b | 11.7578 ± 0.0005 Å |
| c | 16.4825 ± 0.0009 Å |
| α | 71.487 ± 0.005° |
| β | 81.618 ± 0.006° |
| γ | 63.231 ± 0.005° |
| Cell volume | 1782.4 ± 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178527 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/32. |
4063274.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4063274.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063274.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063274.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. |
4063274.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 ) |
4063274.cif |
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Users of the data should acknowledge the original authors of the
structural data.