Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081557
Preview
Coordinates | 4081557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H70 Cl12 Fe5 N8 O5 |
---|---|
Calculated formula | C69 H70 Cl12 Fe5 N8 O5 |
Title of publication | Bis(pyrazol-1-yl)acetic Acid Bearing Ferrocenyl Substituents |
Authors of publication | Tampier, Stefan; Bleifuss, Sascha M.; Abd-Elzaher, Mokhles M.; Sutter, Jörg; Heinemann, Frank W.; Burzlaff, Nicolai |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5935 |
a | 13.2993 ± 0.0006 Å |
b | 14.4632 ± 0.0006 Å |
c | 21.5123 ± 0.001 Å |
α | 85.745 ± 0.001° |
β | 78.137 ± 0.001° |
γ | 68.143 ± 0.001° |
Cell volume | 3758.4 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1134 |
Residual factor for significantly intense reflections | 0.0698 |
Weighted residual factors for significantly intense reflections | 0.1955 |
Weighted residual factors for all reflections included in the refinement | 0.2254 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
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/4081557.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.