Information card for entry 4064472

Structure parameters

• Formula: C26 H24 Fe2 O4
• Calculated formula: C26 H24 Fe2 O4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C(=C(\[c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)C(=O)OC)C(=O)OC)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Electronic Communications in (Z)-Bis(ferrocenyl)ethylenes with Electron-Withdrawing Substituents
• Authors of publication: Solntsev, Pavlo V.; Dudkin, Semen V.; Sabin, Jared R.; Nemykin, Victor N.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3037
• a: 8.9925 ± 0.0018 Å
• b: 11.639 ± 0.002 Å
• c: 11.748 ± 0.002 Å
• α: 93.01 ± 0.03°
• β: 102.02 ± 0.03°
• γ: 112.7 ± 0.03°
• Cell volume: 1097.4 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No