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Information card for entry 4115114
Preview
Coordinates | 4115114.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H42 B2 O2 Ru2 |
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Calculated formula | C24 H42 B2 O2 Ru2 |
SMILES | [Ru]1234567([H][B]8(O)[Ru]9%10%11%12%13%14([H]1)([H][BH]2([H]7)[C]%10(=[C]89OC)C)[c]1([c]%14([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C |
Title of publication | Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5 |
Authors of publication | Hong Yan; Alicia M. Beatty; Thomas P. Fehlner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 10280 - 10281 |
a | 8.508 ± 0.0004 Å |
b | 13.903 ± 0.0006 Å |
c | 21.8889 ± 0.0009 Å |
α | 90° |
β | 92.213 ± 0.001° |
γ | 90° |
Cell volume | 2587.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0304 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0642 |
Weighted residual factors for all reflections included in the refinement | 0.066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/4115114.html
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Users of the data should acknowledge the original authors of the
structural data.