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Information card for entry 4081250
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Coordinates | 4081250.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (phenylethynyldimethylsilyl)benzenemolybdenumtricarbonyl |
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Chemical name | tricarbonyl[dimethyl(eta6-phenyl)phenylethynylsilane]molybdenum(0) |
Formula | C19 H16 Mo O3 Si |
Calculated formula | C19 H16 Mo O3 Si |
SMILES | [Mo]12345(C#[O])(C#[O])(C#[O])[cH]6[cH]1[cH]2[cH]3[cH]4[c]56[Si](C)(C)C#Cc1ccccc1 |
Title of publication | Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands |
Authors of publication | Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4531 |
a | 10.8693 ± 0.0003 Å |
b | 13.4334 ± 0.0004 Å |
c | 25.0323 ± 0.0008 Å |
α | 75.765 ± 0.002° |
β | 89.536 ± 0.002° |
γ | 88.945 ± 0.002° |
Cell volume | 3542.16 ± 0.19 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0515 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0671 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4081250.html
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Users of the data should acknowledge the original authors of the
structural data.