Information card for entry 4324101

Structure parameters

• Formula: C18 H20 Cl4 N2 O2
• Calculated formula: C18 H20 Cl4 N2 O2
• SMILES: c1(c(c(CN(CCN(Cc2cc(cc(c2O)Cl)Cl)C)C)cc(c1)Cl)O)Cl
• Title of publication: Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms
• Authors of publication: Julia B. H. Strautmann; Carl-Georg Freiherr von Richthofen; Gabriele Heinze-Brückner; Serena DeBeer; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 155 - 171
• a: 24.6578 ± 0.0016 Å
• b: 9.4218 ± 0.0006 Å
• c: 8.3806 ± 0.0005 Å
• α: 90°
• β: 96.41 ± 0.001°
• γ: 90°
• Cell volume: 1934.8 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No