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Information card for entry 7102417
Preview
Coordinates | 7102417.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | metallacycle |
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Formula | C40 H32 Mo O4 P2 S4 |
Calculated formula | C40 H32 Mo O4 P2 S4 |
SMILES | [Mo]1([P](c2ccccc2)(c2ccccc2)C(C([P]1(c1ccccc1)c1ccccc1)=C1SC(=C(S1)C)C)=C1SC(=C(S1)C)C)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Unprecedented metal template effect on the coupling of dithiafulvene moieties. |
Authors of publication | Lorcy, Dominique; Guerro, Michel; Pellon, Pascal; Carlier, Roger |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 2 |
Pages of publication | 212 - 213 |
a | 11.584 ± 0.0001 Å |
b | 11.9101 ± 0.0001 Å |
c | 15.1839 ± 0.0002 Å |
α | 82.692 ± 0.001° |
β | 87.987 ± 0.001° |
γ | 70.523 ± 0.001° |
Cell volume | 1958.89 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0908 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0741 |
Weighted residual factors for all reflections included in the refinement | 0.0975 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation probe | x-ray |
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/7102417.html
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Users of the data should acknowledge the original authors of the
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