Information card for entry 4321580

Structure parameters

• Formula: C106.5 H89 Au2 Cl F12 Fe P8 Pt2 S2
• Calculated formula: C106.5 H89 Au2 Cl F12 Fe P8 Pt2 S2
• Title of publication: Structural, Dynamic, and Theoretical Studies of [AunPt2(PPh3)4(μ-S)2-n(μ3-S)nL][PF6] [n = 1, L = PPh3; n = 2, L = Ph2PCH2PPh2, (C5H4PPh2)2Fe]
• Authors of publication: Zhaohui Li; Zhi-Heng Loh; K. F. Mok; T. S. Andy Hor
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5299 - 5305
• a: 13.8668 ± 0.0002 Å
• b: 51.7754 ± 0.0004 Å
• c: 15.966 ± 0.0002 Å
• α: 90°
• β: 113.786 ± 0.001°
• γ: 90°
• Cell volume: 10489.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0859
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No