Information card for entry 4321676

Structure parameters

• Formula: C86 H32 F72 O Pb5 S8
• Calculated formula: C86 H32 F72 O Pb5 S8
• Title of publication: Formation and Structure of the Oxygen-Centered Lead Thiolate Cluster Pb5O(SRF)8.2C7H8 [RF= 2,4,6-Tris(trifluoromethyl)phenyl]
• Authors of publication: Frank T. Edelmann; Jan-Karel F. Buijink; Sally A. Brooker; Regine Herbst-Irmer; Ulrike Kilimann; Frank M. Bohnen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 6134 - 6135
• a: 17.385 ± 0.004 Å
• b: 18.104 ± 0.005 Å
• c: 20.073 ± 0.005 Å
• α: 68.2 ± 0.01°
• β: 78.21 ± 0.01°
• γ: 70.81 ± 0.01°
• Cell volume: 5516 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No