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Information card for entry 4115156
Preview
Coordinates | 4115156.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H84 Al4 N2 P2 Ti2 |
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Calculated formula | C36 H84 Al4 N2 P2 Ti2 |
SMILES | [Ti]123456[Ti]789%10([Al](C)(C)([CH3]8)[CH2]49[Al]1([N]3=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C)C)[Al]([N]7=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C)(C)[CH2]6%10[Al]2(C)(C)[CH3]5 |
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 | 12.8215 ± 0.0001 Å |
b | 18.7191 ± 0.0001 Å |
c | 19.8293 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4759.17 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1055 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1458 |
Weighted residual factors for all reflections included in the refinement | 0.1684 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
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/4115156.html
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Users of the data should acknowledge the original authors of the
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