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Information card for entry 4072992
Preview
Coordinates | 4072992.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H92 N2 Si6 Ti2 |
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Calculated formula | C52 H92 N2 Si6 Ti2 |
SMILES | [c]123[c]4([cH]5[c]6([Ti]789%10145([cH]1[c]7([cH]8[c]9([c]%101[Si](C)(C)C)[Si]3(C)C)C(C)(C)C)([N]#[N][Ti]1345789%10%11[c]%12([cH]1[c]3([cH]4[c]5%12[Si](C)(C)C)C(C)(C)C)[Si]([c]17[c]8([cH]9[c]%10([cH]%111)C(C)(C)C)[Si](C)(C)C)(C)C)[cH]26)C(C)(C)C)[Si](C)(C)C |
Title of publication | Bis(cyclopentadienyl) Titanium Dinitrogen Chemistry: Synthesis and Characterization of a Side-on Bound Haptomer |
Authors of publication | Hanna, Tamara E.; Bernskoetter, Wesley H.; Bouwkamp, Marco W.; Lobkovsky, Emil; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 9 |
Pages of publication | 2431 |
a | 16.9449 ± 0.0009 Å |
b | 10.5645 ± 0.0004 Å |
c | 18.0529 ± 0.001 Å |
α | 90° |
β | 103.955 ± 0.002° |
γ | 90° |
Cell volume | 3136.3 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0802 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
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/4072992.html
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Users of the data should acknowledge the original authors of the
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