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Information card for entry 4069929
Preview
Coordinates | 4069929.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H39 Br O2 P2 Ru |
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Calculated formula | C47 H39 Br O2 P2 Ru |
SMILES | [Ru]1(Br)(C#[O])([O]=C2CCCc3cccc1c23)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | A New Oxidative Addition of Ruthenium(0) into an Aryl Halide Bond and Subsequent Intermolecular C−H Insertion |
Authors of publication | Grounds, Helen; Anderson, James C.; Hayter, Barry; Blake, Alexander J. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 17 |
Pages of publication | 5289 |
a | 25.24 ± 0.002 Å |
b | 9.8942 ± 0.0007 Å |
c | 15.5546 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3884.4 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0569 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0734 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4069929.html
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