Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129062
Preview
Coordinates | 7129062.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H54 B2 F14 N6 |
---|---|
Calculated formula | C70 H54 B2 F14 N6 |
Title of publication | Planar hexaphyrin-like macrocycles turning into bis-BODIPYs with box-shaped structures exhibiting excitonic coupling. |
Authors of publication | Kalaiselvan, Arumugam; Dhamija, Shaina; Aswathi, Chakrapani; De, Arijit K.; Gokulnath, Sabapathi |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 87 |
Pages of publication | 11485 - 11488 |
a | 17.626 ± 0.003 Å |
b | 16.38 ± 0.003 Å |
c | 24.678 ± 0.006 Å |
α | 90° |
β | 95.021 ± 0.005° |
γ | 90° |
Cell volume | 7098 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1175 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1631 |
Weighted residual factors for all reflections included in the refinement | 0.2088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7129062.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.