Information card for entry 7060964

Structure parameters

• Formula: C24 H18 Fe N2
• Calculated formula: C24 H18 Fe N2
• SMILES: [Fe]12345678([c]9(c%10cc(/N=N/c%11ccc(cc%11)C#C)ccc%10)[cH]1[cH]3[cH]4[cH]29)[cH]1[cH]7[cH]6[cH]8[cH]51
• Title of publication: D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies
• Authors of publication: Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 19917 - 19927
• a: 11.276 ± 0.004 Å
• b: 7.873 ± 0.002 Å
• c: 21.687 ± 0.007 Å
• α: 90°
• β: 100.141 ± 0.005°
• γ: 90°
• Cell volume: 1895.2 ± 1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No