Information card for entry 4318977

Structure parameters

• Formula: C82 H69 F6 Fe Hg P5 Pt2 S2
• Calculated formula: C82 H69 F6 Fe Hg P5 Pt2 S2
• SMILES: [Hg]1([S]2[Pt]([S]1[Pt]2([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthetic, Structural, Electrochemical, and Theoretical Studies of Heterometallic Aggregates with a [Pt2(μ-S)2M] Core (M = Hg, Au)
• Authors of publication: Xingling Xu; S.-W. Audi Fong; Zhaohui Li; Zhi-Heng Loh; Feng Zhao; Jagadese J. Vittal; William Henderson; Soo-Beng Khoo; T. S. Andy Hor
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6838 - 6845
• a: 12.2184 ± 0.0001 Å
• b: 13.3114 ± 0.0002 Å
• c: 46.2508 ± 0.0005 Å
• α: 90°
• β: 94.646 ± 0.001°
• γ: 90°
• Cell volume: 7497.7 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No