Information card for entry 4332067

Structure parameters

• Formula: C61 H65 Cl8 Cu I N P5 Re3 S4
• Calculated formula: C61 H65 Cl8 Cu I N P5 Re3 S4
• SMILES: c1ccc(cc1)[P](c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I[Cu]12[S]3[Re]456([S]1[Re]175([S]2[Re]367([P](c2ccccc2)(C)C)([S]41)(Cl)Cl)([P](c1ccccc1)(C)C)(Cl)Cl)([P](c1ccccc1)(C)C)(Cl)Cl.ClCCl
• Title of publication: Synthesis and Characterization of Rhenium−Copper Sulfide Cluster Complexes [(Ph3P)2N][Re3(CuX)(μ3-S)4Cl6(PMe2Ph)3] (X = Cl, Br, I)
• Authors of publication: Iijima, Kazuya; Sunaga, Tomoaki; Hirose, Masaya; Saito, Taro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3452 - 3455
• a: 11.1246 ± 0.0008 Å
• b: 14.0736 ± 0.001 Å
• c: 46.934 ± 0.004 Å
• α: 90°
• β: 95.651 ± 0.002°
• γ: 90°
• Cell volume: 7312.4 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 9
• 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: 0.1032
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No