Information card for entry 4323635

Structure parameters

• Formula: C26 H21 Cl Fe2
• Calculated formula: C26 H21 Cl Fe2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1cc([c]23[Fe]49%10%11%12%13%14([cH]2[cH]4[cH]9[cH]3%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)cc(Cl)c1)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 14.92 ± 0.01 Å
• b: 8.022 ± 0.003 Å
• c: 17.4 ± 0.01 Å
• α: 90°
• β: 97.59 ± 0.05°
• γ: 90°
• Cell volume: 2064 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 24 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0394
• Goodness-of-fit parameter for significantly intense reflections: 1.6395
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No