Information card for entry 4309786

Structure parameters

• Formula: C22 H17 Cl Fe N2
• Calculated formula: C22 H17 Cl Fe N2
• SMILES: [Fe]12345678([cH]9[c]1([cH]2[cH]3[cH]49)c1cc(N=Nc2ccccc2)c(Cl)cc1)[cH]1[cH]5[cH]6[cH]7[cH]18
• Title of publication: Photon-, Electron-, and Proton-Induced Isomerization Behavior of Ferrocenylazobenzenes
• Authors of publication: Aiko Sakamoto; Akira Hirooka; Kosuke Namiki; Masato Kurihara; Masaki Murata; Manabu Sugimoto; Hiroshi Nishihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7547 - 7558
• a: 10.61 ± 0.01 Å
• b: 7.825 ± 0.01 Å
• c: 21.57 ± 0.03 Å
• α: 90°
• β: 92.808 ± 0.008°
• γ: 90°
• Cell volume: 1789 ± 4 ų
• Cell temperature: 113 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No