Information card for entry 4347929

Structure parameters

• Formula: C153 H60.5 B3 F60 Fe5 N24.5 O1.5
• Calculated formula: C153 H60.5 B3 F60 Fe5 N24.5 O1.5
• Title of publication: Intramolecular Electron Transfers Thwart Bistability in a Pentanuclear Iron Complex.
• Authors of publication: Gouré, Eric; Gerey, Bertrand; Clémancey, Martin; Pécaut, Jacques; Molton, Florian; Latour, Jean-Marc; Blondin, Geneviève; Collomb, Marie-Noëlle
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9178 - 9186
• a: 26.329 ± 0.002 Å
• b: 28.882 ± 0.003 Å
• c: 19.942 ± 0.002 Å
• α: 90°
• β: 91.807 ± 0.009°
• γ: 90°
• Cell volume: 15157 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.2107
• Residual factor for significantly intense reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.2527
• Weighted residual factors for all reflections included in the refinement: 0.3092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No