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Information card for entry 4108013
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4108013.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Cp*2Mo2S2S(Bz)S(Me)] + C6H6 |
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Formula | C34 H46 Mo2 S4 |
Calculated formula | C34 H46 Mo2 S4 |
Title of publication | Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex |
Authors of publication | Aaron M. Appel; Suh-Jane Lee; James A. Franz; Daniel L. DuBois; M. Rakowski DuBois; Jerome C. Birnbaum; Brendan Twamley |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 8940 - 8951 |
a | 10.5202 ± 0.0004 Å |
b | 12.5398 ± 0.0005 Å |
c | 26.2385 ± 0.001 Å |
α | 87.631 ± 0.002° |
β | 84.018 ± 0.002° |
γ | 78.866 ± 0.001° |
Cell volume | 3377 ± 0.2 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0523 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0774 |
Weighted residual factors for all reflections included in the refinement | 0.0837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108013.html
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Users of the data should acknowledge the original authors of the
structural data.