Information card for entry 4066061

Structure parameters

• Formula: C20 H13 Fe2 N O6 Se2
• Calculated formula: C20 H13 Fe2 N O6 Se2
• SMILES: [Se]1([Fe]2([Se]([Fe]12(C#[O])(C#[O])C#[O])C)(C#[O])(C#[O])C#[O])/C(=N/c1ccccc1)c1ccccc1
• Title of publication: Reactions of Monoanions [(μ-RE)(μ-E)Fe2(CO)6]−and Dianions [(μ-E)2Fe2(CO)6]2−(E = Se, S) with N-Substituted Benzimidoyl Chlorides, Leading to Novel Butterfly Fe/E Cluster Complexes†
• Authors of publication: Song, Li-Cheng; Mei, Shu-Zhen; Feng, Cui-Ping; Gong, Feng-Hua; Ge, Jian-Hua; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5050
• a: 7.8259 ± 0.0012 Å
• b: 18.98 ± 0.003 Å
• c: 14.842 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2204.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No