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Information card for entry 4327025
Preview
Coordinates | 4327025.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H66 Cl6 Fe4 N20 O15 |
---|---|
Calculated formula | C42 H58 Cl6 Fe4 N20 O15 |
SMILES | [Fe]12345[O]6[Fe]7(Cl)(Cl)([O]8[Fe]9%10%11([O]%12[Fe]%13(Cl)(Cl)([O]1C(C(=[N]%13O)C)=N[N]5=C(N)c1[n]4cccc1)[N](O)=C(C%12=N[N]%10=C(N)c1[n]9cccc1)C)[n]1ccccc1C(N)=[N]%11N=C8C(=[N]7O)C)[N](O)=C(C6=N[N]3=C(N)c1[n]2cccc1)C.[Cl-].[Cl-].OC.OC.OC.OC.OC.OC.O |
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 | 12.7241 ± 0.0012 Å |
b | 14.1843 ± 0.0012 Å |
c | 20.88 ± 0.002 Å |
α | 74.137 ± 0.005° |
β | 80.594 ± 0.006° |
γ | 70.854 ± 0.005° |
Cell volume | 3413.1 ± 0.6 Å3 |
Cell temperature | 158 ± 2 K |
Ambient diffraction temperature | 158 ± 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 | 0.087 |
Residual factor for significantly intense reflections | 0.0791 |
Weighted residual factors for significantly intense reflections | 0.2317 |
Weighted residual factors for all reflections included in the refinement | 0.2417 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/4327025.html
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Users of the data should acknowledge the original authors of the
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