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Information card for entry 4111550
Preview
Coordinates | 4111550.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H47 B3 Ru2 |
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Calculated formula | C28 H42 B3 Ru2 |
SMILES | [Ru]1234567([Ru]89%10%11%12%13([H][B]%1418([H][B]12%14[H][B]391)CCc1ccccc1)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C |
Title of publication | Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh |
Authors of publication | Hong Yan; Bruce C. Noll; Thomas P. Fehlner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 4831 - 4844 |
a | 8.5992 ± 0.0004 Å |
b | 17.5873 ± 0.0007 Å |
c | 18.796 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2842.6 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0503 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
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/4111550.html
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