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Information card for entry 4063354
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4063354.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H55 B F24 O P2 Ru |
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Calculated formula | C82 H55 B F24 O P2 Ru |
SMILES | [Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=C=C(c1ccc(OC)cc1)c1ccccc1)[cH]1[c]62cccc[c]36[cH]4[cH]51.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 | Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes |
Authors of publication | Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 2 |
Pages of publication | 204 - 207 |
a | 20.985 ± 0.005 Å |
b | 16.589 ± 0.004 Å |
c | 21.235 ± 0.005 Å |
α | 90° |
β | 94.661 ± 0.003° |
γ | 90° |
Cell volume | 7368 ± 3 Å3 |
Cell temperature | 123.1 K |
Ambient diffraction temperature | 123.1 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 significantly intense reflections | 0.1661 |
Weighted residual factors for all reflections included in the refinement | 0.3203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063354.html
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Users of the data should acknowledge the original authors of the
structural data.