Information card for entry 4323634

Structure parameters

• Formula: C26 H22 Fe2
• Calculated formula: C26 H22 Fe2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1c([c]23[cH]4[Fe]9%10%11%12%13%142([cH]4[cH]9[cH]3%10)[cH]2[cH]%14[cH]%13[cH]%12[cH]%112)cccc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Topological Effects on Intramolecular Electron Transfer via Quantum Interference
• Authors of publication: Cendrine Patoux; Christophe Coudret; Jean-Pierre Launay; Christian Joachim; André Gourdon
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5037 - 5049
• a: 9.426 ± 0.001 Å
• b: 9.909 ± 0.001 Å
• c: 41.875 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3911.2 ± 0.6 ų
• Cell temperature: 24 K
• Ambient diffraction temperature: 24 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.0517
• Goodness-of-fit parameter for significantly intense reflections: 0.9716
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No