Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4505939
Preview
Coordinates | 4505939.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H57 Cl6 Co3 N15 O5 |
---|---|
Calculated formula | C39 H57 Cl6 Co3 N15 O5 |
Title of publication | Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions |
Authors of publication | Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 4 |
Pages of publication | 1952 |
a | 12.143 ± 0.0005 Å |
b | 12.948 ± 0.0005 Å |
c | 21.062 ± 0.0008 Å |
α | 88.99 ± 0.002° |
β | 81.93 ± 0.002° |
γ | 81.516 ± 0.002° |
Cell volume | 3242.8 ± 0.2 Å3 |
Cell temperature | 230 ± 2 K |
Ambient diffraction temperature | 230 ± 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 | 0.0683 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1408 |
Weighted residual factors for all reflections included in the refinement | 0.1551 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.831 |
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/4505939.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.