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Information card for entry 1546504
Preview
Coordinates | 1546504.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H66 B F24 P2 Rh |
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Calculated formula | C61 H66 B F24 P2 Rh |
SMILES | [Rh]123([P](C4CCCCC4)(C4CCCCC4)CC[P]1(C1CCCCC1)C1CCCCC1)[CH](C2)=[CH2]3.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates. |
Authors of publication | Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 12.7894 ± 0.0007 Å |
b | 12.8961 ± 0.0007 Å |
c | 19.8711 ± 0.0008 Å |
α | 91.256 ± 0.004° |
β | 90.745 ± 0.004° |
γ | 96.863 ± 0.004° |
Cell volume | 3252.7 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.1525 |
Residual factor for significantly intense reflections | 0.1277 |
Weighted residual factors for all reflections | 0.3806 |
Weighted residual factors for significantly intense reflections | 0.3264 |
Weighted residual factors for all reflections included in the refinement | 0.3806 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9616 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1546504.html
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Users of the data should acknowledge the original authors of the
structural data.