Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4505137
Preview
Coordinates | 4505137.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(CoTPP)2BPy]-C6H5CN |
---|---|
Formula | C126 H84 Co2 N14 |
Calculated formula | C126 H84 Co2 N14 |
SMILES | c1cc2[n]3[Co]45(n6c(=C2c2ccccc2)ccc6=C(c2[n]5c(=C(c5ccc(C(=c13)c1ccccc1)n45)c1ccccc1)cc2)c1ccccc1)[n]1ccc(c2cc[n](cc2)[Co]234[n]5c6=C(c7n4c(C(=c4[n]3c(C(=c3ccc(=C(c5cc6)c5ccccc5)n23)c2ccccc2)cc4)c2ccccc2)cc7)c2ccccc2)cc1.C(#N)c1ccccc1.C(#N)c1ccccc1.C(#N)c1ccccc1.C(#N)c1ccccc1 |
Title of publication | [60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties |
Authors of publication | Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2005 |
Journal volume | 5 |
Journal issue | 5 |
Pages of publication | 1807 |
a | 17.9296 ± 0.0007 Å |
b | 13.4047 ± 0.0005 Å |
c | 39.8176 ± 0.0015 Å |
α | 90° |
β | 99.769 ± 0.001° |
γ | 90° |
Cell volume | 9431 ± 0.6 Å3 |
Cell temperature | 90 ± 1 K |
Ambient diffraction temperature | 90 ± 1 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4505137.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.