Information card for entry 4309787

Structure parameters

• Formula: C22 H18 Fe N2 O
• Calculated formula: C22 H18 Fe N2 O
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]5[cH]6[cH]7[cH]81)c1cc(N=Nc2ccc(O)cc2)ccc1
• 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: 25.55 ± 0.02 Å
• b: 11.318 ± 0.007 Å
• c: 5.848 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1691 ± 2 ų
• Cell temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No