Information card for entry 2211443

Structure parameters

• Chemical name: 1,2-bis(4-ferrocenylphenyl)ethene
• Formula: C34 H28 Fe2
• Calculated formula: C34 H28 Fe2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)c1ccc(cc1)/C=C/c1ccc([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)cc1
• Title of publication: 1,2-Bis(4-ferrocenylphenyl)ethene
• Authors of publication: Wang, Jian-Hui; Zhang, Li-Gai; Shao, Ming-Bo; Wu, Bin; Lin, Shi-Xian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3390 - m3391
• a: 12.452 ± 0.002 Å
• b: 8.1688 ± 0.0014 Å
• c: 12.5419 ± 0.0018 Å
• α: 90°
• β: 104.88 ± 0.009°
• γ: 90°
• Cell volume: 1233 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes