Information card for entry 2242462

Structure parameters

• Chemical name: (<i>E</i>)-1,2-Diferrocenyl-1,2-bis(furan-2-yl)ethene
• Formula: C30 H24 Fe2 O2
• Calculated formula: C30 H24 Fe2 O2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)/C(=C(\c1occc1)[c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)c1occc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Crystal structure of (<i>E</i>)-1,2-diferrocenyl-1,2-bis(furan-2-yl)ethene
• Authors of publication: Linden, Anthony; Hamera-Fałdyga, Róża; Mlostoń, Grzegorz; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 625 - 629
• a: 5.81006 ± 0.00013 Å
• b: 22.7138 ± 0.0005 Å
• c: 8.38031 ± 0.00018 Å
• α: 90°
• β: 91.785 ± 0.002°
• γ: 90°
• Cell volume: 1105.4 ± 0.04 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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 all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes