Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4327023
Preview
Coordinates | 4327023.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H84 Cl6 Fe4 N20 O15 |
---|---|
Calculated formula | C48 H40 Cl6 Fe4 N20 O4 |
SMILES | [Fe]123(Cl)(Cl)[O]4[Fe]567([O]8[Fe]9(Cl)(Cl)([O]%10[Fe]%11%12%13([O]1C(=N[N]%12=C(N)c1[n]%13cccc1)c1[n]3cccc1)[N](N=C%10c1[n]9cccc1)=C(N)c1[n]%11cccc1)[n]1ccccc1C8=N[N]6=C(N)c1[n]7cccc1)[N](N=C4c1[n]2cccc1)=C(N)c1[n]5cccc1.[Cl-].[Cl-] |
Title of publication | Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations |
Authors of publication | Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 12141 - 12154 |
a | 15.692 ± 0.005 Å |
b | 29.941 ± 0.008 Å |
c | 21.67 ± 0.007 Å |
α | 90° |
β | 130.817 ± 0.004° |
γ | 90° |
Cell volume | 7705 ± 4 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0978 |
Residual factor for significantly intense reflections | 0.0895 |
Weighted residual factors for significantly intense reflections | 0.2632 |
Weighted residual factors for all reflections included in the refinement | 0.2818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71075 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/4327023.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.