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Information card for entry 4068490
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Coordinates | 4068490.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | SHORE1192 |
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Formula | C26 H47 B2 Ti |
Calculated formula | C26 H47 B2 Ti |
SMILES | [Ti]123456([H][B]7(C8CCCC7CCC8)[H]1)([H][B]1(C2CCCC1CCC2)[H]2)[c]1(C)[c]3([c]4(C)[c]5([c]61C)C)C |
Title of publication | β-Agostic Interactions in 15-Valence-Electron 9-BBN Hydroborate Half-Sandwich Titanium(III) Complexes |
Authors of publication | Hamilton, Ewan J. M.; Park, Jung Su; Chen, Xuenian; Liu, Shengming; Sturgeon, Matthew R.; Meyers, Edward A.; Shore, Sheldon G. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 14 |
Pages of publication | 3973 |
a | 11.4451 ± 0.001 Å |
b | 17.6514 ± 0.001 Å |
c | 12.2542 ± 0.001 Å |
α | 90° |
β | 90.463 ± 0.01° |
γ | 90° |
Cell volume | 2475.5 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0842 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4068490.html
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