Information card for entry 4115048

Structure parameters

• Formula: C57 H60 O24 Pd6 S12
• Calculated formula: C57 H60 O24 Pd6 S12
• Title of publication: [PdS2C2(COOMe)2]6n (n = 0, -1, -2, -3, -4): Hexanuclear Homoleptic Palladium Dithiolene Complexes
• Authors of publication: Colin L. Beswick; Raquel Terroba; Mark A. Greaney; Edward I. Stiefel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9664 - 9665
• a: 12.4637 ± 0.0006 Å
• b: 12.6975 ± 0.0006 Å
• c: 14.6816 ± 0.0007 Å
• α: 105.839 ± 0.001°
• β: 109.064 ± 0.001°
• γ: 106.899 ± 0.001°
• Cell volume: 1919.5 ± 0.16 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No