Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4116469
Preview
Coordinates | 4116469.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C~60~^.^2Co(OEP)^.^CHCl~3~ |
---|---|
Formula | C133 H89 Cl3 Co2 N8 |
Calculated formula | C133 H89 Cl3 Co2 N8 |
Title of publication | Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units |
Authors of publication | Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 7090 - 7097 |
a | 14.841 ± 0.008 Å |
b | 21.055 ± 0.016 Å |
c | 29.308 ± 0.016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9158 ± 10 Å3 |
Cell temperature | 154 ± 2 K |
Ambient diffraction temperature | 154 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1299 |
Residual factor for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections | 0.1969 |
Weighted residual factors for significantly intense reflections | 0.1711 |
Goodness-of-fit parameter for all reflections | 1.109 |
Goodness-of-fit parameter for significantly intense reflections | 1.212 |
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/4116469.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.