Information card for entry 4349200

Structure parameters

• Formula: C56 H55 Cl6 F6 Fe2 N9 O9 S2
• Calculated formula: C56 H55 Cl6 F6 Fe2 N9 O9 S2
• Title of publication: Multiple Bistability in Quinonoid-Bridged Diiron(II) Complexes: Influence of Bridge Symmetry on Bistable Properties.
• Authors of publication: van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Marx, Raphael; Neugebauer, Petr; Frank, Uta; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11944 - 11953
• a: 12.219 ± 0.004 Å
• b: 13.352 ± 0.004 Å
• c: 20.302 ± 0.007 Å
• α: 102.612 ± 0.007°
• β: 95.369 ± 0.008°
• γ: 101.673 ± 0.008°
• Cell volume: 3132.4 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No