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Information card for entry 4327028
Preview
Coordinates | 4327028.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 Cl4 Fe2 N8 O4 |
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Calculated formula | C18 H20 Cl4 Fe2 N8 O4 |
SMILES | c1cccc2[n]1[Fe]13([O]=C(C(=N\O)\C)N[N]1=C2)([Cl][Fe]12([n]4ccccc4C=[N]1NC(/C(=N/O)C)=[O]2)([Cl]3)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 | 18.705 ± 0.004 Å |
b | 10.8869 ± 0.0017 Å |
c | 13.453 ± 0.003 Å |
α | 90° |
β | 113.481 ± 0.011° |
γ | 90° |
Cell volume | 2512.7 ± 0.9 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 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 | 0.0913 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.2052 |
Weighted residual factors for all reflections included in the refinement | 0.2094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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