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Information card for entry 4300124
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Coordinates | 4300124.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Mo(CO)(S2C2Me2)2](Bu4N) |
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Formula | C31 H53 Mo N O S5 |
Calculated formula | C31 H53 Mo N O S5 |
SMILES | [Mo]12(SC(=C(S1)C)C)(SC(=C(S2)C)C)(Sc1ccccc1)C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Synthesis and Structures of Bis(dithiolene)molybdenum Complexes Related to the Active Sites of the DMSO Reductase Enzyme Family |
Authors of publication | Booyong S. Lim; James P. Donahue; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 263 - 273 |
a | 9.5576 ± 0.0012 Å |
b | 19.684 ± 0.002 Å |
c | 19.248 ± 0.002 Å |
α | 90° |
β | 98.081 ± 0.007° |
γ | 90° |
Cell volume | 3585.2 ± 0.7 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0982 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for all reflections | 0.0796 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Goodness-of-fit parameter for all reflections | 1.114 |
Goodness-of-fit parameter for significantly intense reflections | 1.289 |
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/4300124.html
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