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Information card for entry 4066029
Preview
Coordinates | 4066029.cif |
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Original paper (by DOI) | HTML |
Formula | C70 H76 O4 Ti2 |
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Calculated formula | C70 H76 O4 Ti2 |
Title of publication | Intramolecular C−H Activation of a Bisphenolate(benzene)-Ligated Titanium Dibenzyl Complex. Competing Pathways Involving α-Hydrogen Abstraction and σ-Bond Metathesis† |
Authors of publication | Golisz, Suzanne R.; Labinger, Jay A.; Bercaw, John E. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 5026 |
a | 14.0179 ± 0.0008 Å |
b | 14.4801 ± 0.0008 Å |
c | 14.7317 ± 0.001 Å |
α | 99.366 ± 0.003° |
β | 104.864 ± 0.004° |
γ | 92.774 ± 0.003° |
Cell volume | 2838.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1485 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4066029.html
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