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Information card for entry 4069271
Preview
Coordinates | 4069271.cif |
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Original paper (by DOI) | HTML |
Formula | C70 H74 B F15 N2 O Ti |
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Calculated formula | C68.5 H67.38 B F15 N2 O Ti |
Title of publication | Zwitterionic and Cationic Titanium and Vanadium Complexes Having Terminal M−C Multiple Bonds. The Role of the β-Diketiminate Ligand in Formation of Charge-Separated Species |
Authors of publication | Adhikari, Debashis; Basuli, Falguni; Orlando, Justin H.; Gao, Xinfeng; Huffman, John C.; Pink, Maren; Mindiola, Daniel J. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 14 |
Pages of publication | 4115 |
a | 13.0262 ± 0.0013 Å |
b | 13.4187 ± 0.0014 Å |
c | 20.896 ± 0.002 Å |
α | 75.43 ± 0.003° |
β | 80.756 ± 0.003° |
γ | 67.79 ± 0.002° |
Cell volume | 3264 ± 0.6 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1482 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1483 |
Weighted residual factors for all reflections included in the refinement | 0.1769 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
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/4069271.html
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