Information card for entry 4124376

Structure parameters

• Formula: C88 H125 Fe6 N27
• Calculated formula: C88 H125 Fe6 N27
• Title of publication: Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.
• Authors of publication: Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 34
• Pages of publication: 11126 - 11143
• a: 15.345 ± 0.003 Å
• b: 20.716 ± 0.005 Å
• c: 29.732 ± 0.007 Å
• α: 90°
• β: 103.496 ± 0.004°
• γ: 90°
• Cell volume: 9190 ± 4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.084
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No