Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027856
Preview
Coordinates | 7027856.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H64 Cl4 Fe2 N16 O20 |
---|---|
Calculated formula | C50 H64 Cl4 Fe2 N16 O20 |
Title of publication | Synthesis and co-ordination chemistry of the tetradentate chelating ligand 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane: crystal structures of complexes with FeII, CuII, ZnII, AgI and PbII |
Authors of publication | Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 18 |
Pages of publication | 3029 |
a | 19.714 ± 0.006 Å |
b | 11.095 ± 0.002 Å |
c | 14.91 ± 0.003 Å |
α | 90° |
β | 104.03 ± 0.02° |
γ | 90° |
Cell volume | 3163.9 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1178 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections | 0.1171 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Goodness-of-fit parameter for all reflections | 1.043 |
Goodness-of-fit parameter for significantly intense reflections | 1.124 |
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/7027856.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.