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Information card for entry 4111557
Preview
Coordinates | 4111557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H57 B3 Ru2 |
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Calculated formula | C44 H57 B3 Ru2 |
SMILES | [Ru]123456789%10([H]%11[Ru]%12%13%14%15%16%17%182([H]1[B]14%14([B]24%13([BH]3%11%12[C]%104([CH]912)c1ccccc1)CCc1ccccc1)CCc1ccccc1)[c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)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 | 11.5001 ± 0.0001 Å |
b | 17.6615 ± 0.0002 Å |
c | 19.6416 ± 0.0003 Å |
α | 90° |
β | 91.619 ± 0.001° |
γ | 90° |
Cell volume | 3987.79 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4111557.html
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Users of the data should acknowledge the original authors of the
structural data.