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Information card for entry 4127232
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4127232.cif |
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Original paper (by DOI) | HTML |
Formula | C125 H165 B4 K4 N8 S4 |
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Calculated formula | C125 H165 B4 K4 N8 S4 |
Title of publication | An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond. |
Authors of publication | Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 20 |
Pages of publication | 8073 - 8077 |
a | 15.5333 ± 0.0003 Å |
b | 16.3399 ± 0.0003 Å |
c | 27.911 ± 0.0007 Å |
α | 85.492 ± 0.002° |
β | 89.509 ± 0.002° |
γ | 61.864 ± 0.002° |
Cell volume | 6224.4 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.09 |
Residual factor for significantly intense reflections | 0.068 |
Weighted residual factors for significantly intense reflections | 0.1853 |
Weighted residual factors for all reflections included in the refinement | 0.2101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4127232.html
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