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Information card for entry 4115354
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4115354.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H109 B2 Fe6 Mo2 N24 S11 |
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Calculated formula | C60 H109 B2 Fe6 Mo2 N24 S11 |
Title of publication | Rearrangement of Symmetrical Dicubane Clusters into Topological Analogues of the P Cluster of Nitrogenase: Nature's Choice? |
Authors of publication | Yugen Zhang; Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 14292 - 14293 |
a | 18.3853 ± 0.0011 Å |
b | 17.5344 ± 0.001 Å |
c | 29.4244 ± 0.0016 Å |
α | 90° |
β | 96.619 ± 0.001° |
γ | 90° |
Cell volume | 9422.5 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0933 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1512 |
Weighted residual factors for all reflections included in the refinement | 0.1659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
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/4115354.html
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Users of the data should acknowledge the original authors of the
structural data.