Information card for entry 7007552

Structure parameters

• Formula: C20 H14 Fe2 O4
• Calculated formula: C20 H14 Fe2 O4
• SMILES: [Fe]1234([Fe]5678(C#[O])(C#[O])(C1c1ccccc1)[c]19[cH]6[cH]7[cH]8[c]51[CH]3=[CH]4C2C9)(C#[O])C#[O]
• Title of publication: Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.
• Authors of publication: Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 36
• Pages of publication: 4348 - 4358
• a: 9.2338 ± 0.0014 Å
• b: 16.086 ± 0.003 Å
• c: 11.8502 ± 0.0018 Å
• α: 90°
• β: 97.343 ± 0.003°
• γ: 90°
• Cell volume: 1745.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1233
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No