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Information card for entry 4115157
Preview
Coordinates | 4115157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H79 Al3 N2 P2 Ti |
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Calculated formula | C33 H79 Al3 N2 P2 Ti |
SMILES | [Ti]12([N](=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Al]([CH2]1[Al]([CH2]2[Al](C)(C)C)(C)C)(C)C)N=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Divergent Pathways of C-H Bond Activation: Reactions of (t-Bu3PN)2TiMe2 with Trimethylaluminum |
Authors of publication | James E. Kickham; Frédéric Guérin; Douglas W. Stephan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 11486 - 11494 |
a | 12.5077 ± 0.0014 Å |
b | 16.875 ± 0.002 Å |
c | 20.575 ± 0.002 Å |
α | 90° |
β | 94.063 ± 0.002° |
γ | 90° |
Cell volume | 4331.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1479 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1147 |
Weighted residual factors for all reflections included in the refinement | 0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.798 |
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/4115157.html
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