Information card for entry 4332696

Structure parameters

• Formula: C160 H208 B4 F12 Fe4 N76 Ni4 O28 S8
• Calculated formula: C160 H200 B4 F12 Fe4 N76 Ni4 O28 S8
• Title of publication: Ancillary Ligand Functionalization of Cyanide-BridgedS= 6 FeIII4NiII4Complexes for Molecule-Based Electronics
• Authors of publication: Li, Dongfeng; Parkin, Sean; Clérac, Rodolphe; Holmes, Stephen M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7569 - 7571
• a: 33.918 ± 0.007 Å
• b: 24.258 ± 0.005 Å
• c: 28.472 ± 0.006 Å
• α: 90°
• β: 104.28 ± 0.03°
• γ: 90°
• Cell volume: 22702 ± 9 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2993
• Weighted residual factors for all reflections included in the refinement: 0.3345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No