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Information card for entry 4084058
Preview
Coordinates | 4084058.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H52 B N6 O Os P |
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Calculated formula | C48 H52 B N6 O Os P |
SMILES | [Os]12([P](C(C)C)(C(C)C)C(C)C)([n]3n([B](n4[n]1ccc4)(n1[n]2ccc1)C#CC(c1ccccc1)c1ccccc1)ccc3)(C=C(c1ccccc1)c1ccccc1)C#[O] |
Title of publication | Osmium-Acyl Decarbonylation Promoted by Tp-Mediated Allenylidene Abstraction: A New Role of the Tp Ligand |
Authors of publication | Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 15 |
Pages of publication | 4057 |
a | 8.833 ± 0.0012 Å |
b | 11.6852 ± 0.0016 Å |
c | 20.45 ± 0.003 Å |
α | 93.345 ± 0.002° |
β | 91.762 ± 0.002° |
γ | 95.864 ± 0.002° |
Cell volume | 2094.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0824 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1031 |
Weighted residual factors for all reflections included in the refinement | 0.1092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
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/4084058.html
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Users of the data should acknowledge the original authors of the
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