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Information card for entry 7101221
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7101221.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H5 B F10 Fe O3 |
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Calculated formula | C20 H5 B F10 Fe O3 |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]2345(C#[O])(C#[O])C#[O])[BH](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
Title of publication | Migratory insertion of [B(C6F5)2]- into C-H bonds: CO promoted boryl anion transfer |
Authors of publication | S. Aldridge; A. Al-Fawaz; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Kevin M. Jones; Deborah L. Kays |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 24 |
a | 7.4491 ± 0.0003 Å |
b | 8.4985 ± 0.0004 Å |
c | 15.6646 ± 0.0005 Å |
α | 103.233 ± 0.002° |
β | 90.73 ± 0.002° |
γ | 92.815 ± 0.002° |
Cell volume | 963.88 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0393 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 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/7101221.html
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