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Information card for entry 4119823
Preview
Coordinates | 4119823.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | chisholm1925 |
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Formula | C64 H74 Mo2 N2 O10 S2 |
Calculated formula | C64 H74 Mo2 N2 O10 S2 |
Title of publication | Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons |
Authors of publication | Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 8254 - 8259 |
a | 10.0483 ± 0.0001 Å |
b | 11.2756 ± 0.0001 Å |
c | 14.6132 ± 0.0002 Å |
α | 79.001 ± 0.001° |
β | 73.124 ± 0.001° |
γ | 84.292 ± 0.001° |
Cell volume | 1553.57 ± 0.03 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0614 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
Diffraction radiation probe | x-ray |
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/4119823.html
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