Information card for entry 4082937

Structure parameters

• Formula: C26 H26 Fe O8
• Calculated formula: C26 H26 Fe O8
• SMILES: [c]12([cH]3[Fe]4567892([cH]1[cH]7[cH]35)[c]1([cH]4[cH]6[cH]8[cH]91)C(C)=C1C(=O)OC(OC1=O)(C)C)C(C)=C1C(=O)OC(OC1=O)(C)C
• Title of publication: Synthesis, Structure, and Spectroelectrochemistry of Ferrocenyl‒Meldrum’s Acid Donor‒Acceptor Systems
• Authors of publication: Kowalski, Konrad; Szczupak, Łukasz; Skiba, Joanna; Abdel-Rahman, Obadah S.; Winter, Rainer F.; Czerwieniec, Rafał; Therrien, Bruno
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4697
• a: 17.563 ± 0.0009 Å
• b: 10.2026 ± 0.0005 Å
• c: 12.9769 ± 0.0008 Å
• α: 90°
• β: 97.061 ± 0.004°
• γ: 90°
• Cell volume: 2307.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No