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Information card for entry 4071059
Preview
| Coordinates | 4071059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41.5 H39 Cl2 N O Ti |
|---|---|
| Calculated formula | C41.5 H39 Cl2 N O Ti |
| Title of publication | Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application |
| Authors of publication | Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1859 |
| a | 10.2441 ± 0.0005 Å |
| b | 14.2527 ± 0.0007 Å |
| c | 14.5183 ± 0.0007 Å |
| α | 62.46 ± 0.005° |
| β | 75.719 ± 0.006° |
| γ | 70.775 ± 0.006° |
| Cell volume | 1763.42 ± 0.18 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4071059.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071059.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071059.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071059.cif |
| 43019 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071059 via cif-deposit CGI script. |
4071059.cif |
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Users of the data should acknowledge the original authors of the
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