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Information card for entry 4071549
Preview
Coordinates | 4071549.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H24 Cl6 Fe8 O28 S4 |
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Calculated formula | C52 H24 Cl6 Fe8 O28 S4 |
Title of publication | Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes |
Authors of publication | Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 13 |
Pages of publication | 3225 |
a | 13.241 ± 0.006 Å |
b | 26.387 ± 0.012 Å |
c | 11.576 ± 0.005 Å |
α | 90° |
β | 115.037 ± 0.007° |
γ | 90° |
Cell volume | 3664 ± 3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.1056 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1586 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4071549.html
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Users of the data should acknowledge the original authors of the
structural data.