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Information card for entry 4109101
Preview
Coordinates | 4109101.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H58 P4 Si4 Ti |
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Calculated formula | C36 H58 P4 Si4 Ti |
SMILES | [Ti]12345([SiH]([H]1)(c1ccccc1)[Si](c1ccccc1)([SiH]2([H]5)c1ccccc1)[SiH2]c1ccccc1)([P](C)(C)CC[P]3(C)C)[P](C)(C)CC[P]4(C)C |
Title of publication | Titanium-Catalyzed Dehydrocoupling of Silanes: Direct Conversion of Primary Monosilanes to Titanium(0) Oligosilane Complexes with Agostic α-Si-H...Ti Interactions |
Authors of publication | Michael D. Spencer; Quinetta D. Shelby; Gregory S. Girolami |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 1860 - 1861 |
a | 11.8357 ± 0.0003 Å |
b | 18.8226 ± 0.0005 Å |
c | 18.9559 ± 0.0006 Å |
α | 90° |
β | 95.102 ± 0.001° |
γ | 90° |
Cell volume | 4206.2 ± 0.2 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1291 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for all reflections | 0.0779 |
Weighted residual factors for all reflections included in the refinement | 0.067 |
Goodness-of-fit parameter for all reflections | 0.755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/4109101.html
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