Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4331895
Preview
Coordinates | 4331895.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H32 Al N8 O2 |
---|---|
Calculated formula | C46 H30 Al N8 O2 |
Title of publication | Aluminum Tetraphenylporphyrin and Aluminum Phthalocyanine Neutral Radicals |
Authors of publication | Cissell, Julie A.; Vaid, Thomas P.; Rheingold, Arnold L. |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 6 |
Pages of publication | 2367 - 2369 |
a | 16.0554 ± 0.0019 Å |
b | 19.335 ± 0.002 Å |
c | 11.6391 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3613.1 ± 0.7 Å3 |
Cell temperature | 218 ± 2 K |
Ambient diffraction temperature | 218 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0615 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1271 |
Weighted residual factors for all reflections included in the refinement | 0.1369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179421 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18. |
4331895.cif |
97952 | 2014-01-29 | cif/ Adding structures of 4331895 via cif-deposit CGI script. |
4331895.cif |
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.