Information card for entry 4087288

Structure parameters

• Formula: C25 H16 F3 Fe2 O6 P S2
• Calculated formula: C25 H16 F3 Fe2 O6 P S2
• SMILES: O1C[S]2[Fe]3([Fe]2([P](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)([S]3C1)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes
• Authors of publication: He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1322
• a: 8.269 ± 0.002 Å
• b: 9.059 ± 0.003 Å
• c: 18.252 ± 0.005 Å
• α: 102.405 ± 0.003°
• β: 94.178 ± 0.003°
• γ: 96.563 ± 0.003°
• Cell volume: 1319.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0878
• 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