Information card for entry 4327028

Structure parameters

• Formula: C18 H20 Cl4 Fe2 N8 O4
• 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 ų
• 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