Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130386
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7130386.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H33 Al2 B F30 N3 O2 |
---|---|
Calculated formula | C59 H33 Al2 B F30 N3 O2 |
Title of publication | Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide |
Authors of publication | Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 18.3096 ± 0.0001 Å |
b | 26.0399 ± 0.0003 Å |
c | 27.5573 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13138.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1268 |
Residual factor for significantly intense reflections | 0.1077 |
Weighted residual factors for significantly intense reflections | 0.3191 |
Weighted residual factors for all reflections included in the refinement | 0.3396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7130386.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.