Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036606
Preview
Coordinates | 7036606.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (μ-O)[FeL1]2 |
---|---|
Formula | C48 H48 Fe2 N4 O13 |
Calculated formula | C48 H48 Fe2 N4 O13 |
SMILES | C1(=C(C=[N]2c3cc4ccccc4cc3[N]3=CC(=C(C)O[Fe]23(O1)O[Fe]123[N](=CC(=C(C)O2)C(=O)OCC)c2cc4ccccc4cc2[N]1=CC(=C(C)O3)C(=O)OCC)C(=O)OCC)C(=O)OCC)C |
Title of publication | Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes. |
Authors of publication | Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 41 |
Pages of publication | 18065 - 18077 |
a | 13.273 ± 0.003 Å |
b | 14.292 ± 0.003 Å |
c | 14.51 ± 0.003 Å |
α | 63.065 ± 0.015° |
β | 69.534 ± 0.015° |
γ | 78.915 ± 0.016° |
Cell volume | 2297.1 ± 0.9 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1097 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.851 |
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/7036606.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.