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Information card for entry 4063802
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Coordinates | 4063802.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,6-Dimethylpiperidinium tris(perfluorophenyl)borohydride |
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Formula | C25 H15 B F15 N |
Calculated formula | C25 H15 B F15 N |
SMILES | [B]([NH]1[C@@H](CCC[C@@H]1C)C)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
Title of publication | Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs |
Authors of publication | Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 8 |
Pages of publication | 2117 |
a | 17.8991 ± 0.0004 Å |
b | 9.0917 ± 0.0002 Å |
c | 14.4468 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2350.97 ± 0.09 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4063802.html
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