Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4107511
Preview
Coordinates | 4107511.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H45 B2 Cl2 F2 N5 O |
---|---|
Calculated formula | C46 H43 B2 Cl2 F2 N5 O |
Title of publication | Corrole as a Binucleating Ligand: Preparation, Molecular Structure and Density Functional Theory Study of Diboron Corroles |
Authors of publication | Amelia M. Albrett; Jeanet Conradie; Peter D. W. Boyd; George R. Clark; Abhik Ghosh; Penelope J. Brothers |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 2888 - 2889 |
a | 14.2841 ± 0.0007 Å |
b | 16.2847 ± 0.0008 Å |
c | 17.3657 ± 0.0009 Å |
α | 90° |
β | 100.91 ± 0.001° |
γ | 90° |
Cell volume | 3966.5 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 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 all reflections | 0.1083 |
Residual factor for significantly intense reflections | 0.0764 |
Weighted residual factors for significantly intense reflections | 0.1806 |
Weighted residual factors for all reflections included in the refinement | 0.2069 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4107511.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.