Information card for entry 4321579

Structure parameters

• Formula: C97 H82 Au2 F12 P8 Pt2 S2
• Calculated formula: C97 H82 Au2 F12 P8 Pt2 S2
• SMILES: [Pt]2([S]1[Au][P](c3ccccc3)(c3ccccc3)C[P](c3ccccc3)(c3ccccc3)[Au][S]2[Pt]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 31.95 ± 0.002 Å
• b: 16.0157 ± 0.0008 Å
• c: 18.846 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9643.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1403
• Weighted residual factors for significantly intense reflections: 0.1196
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No