Information card for entry 2217707

Structure parameters

• Common name: succinylferrocene
• Chemical name: 1,4-Diferrocenylbutane-1,4-dione
• Formula: C24 H22 Fe2 O2
• Calculated formula: C24 H22 Fe2 O2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C(=O)CCC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: 1,4-Diferrocenylbutane-1,4-dione
• Authors of publication: Tombul, Mustafa; Bulut, Adnan; Güven, Kutalmış; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m444 - m445
• a: 10.4175 ± 0.0007 Å
• b: 18.5954 ± 0.001 Å
• c: 9.969 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1931.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes