Information card for entry 4066065

Structure parameters

• Formula: C34 H24 Fe2 N2 O6 Se2
• Calculated formula: C34 H24 Fe2 N2 O6 Se2
• SMILES: [Se]1([Fe]2([Se]([Fe]12(C#[O])(C#[O])C#[O])C(=N\c1ccc(C)cc1)/c1ccccc1)(C#[O])(C#[O])C#[O])C(=N\c1ccc(C)cc1)/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: 13.5607 ± 0.0019 Å
• b: 14.769 ± 0.002 Å
• c: 17.946 ± 0.003 Å
• α: 77.737 ± 0.002°
• β: 74.268 ± 0.002°
• γ: 77.965 ± 0.002°
• Cell volume: 3336.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No