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Information card for entry 4087834
Preview
Coordinates | 4087834.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H63 Br O2 P2 Si W |
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Calculated formula | C47 H63 Br O2 P2 Si W |
SMILES | Br[W]1([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
Title of publication | Synthesis of a Stable Methylidyne Complex |
Authors of publication | Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 20 |
Pages of publication | 5057 |
a | 14.512 ± 0.0001 Å |
b | 18.8706 ± 0.0002 Å |
c | 16.8137 ± 0.0002 Å |
α | 90° |
β | 95.4929 ± 0.0007° |
γ | 90° |
Cell volume | 4583.29 ± 0.08 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 7 |
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 | 0.0691 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for all reflections | 0.0968 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0968 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9558 |
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/4087834.html
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structural data.