Information card for entry 4326012

Structure parameters

• Formula: C11 H28 Cl2 O0 P4 Pd2 S2
• Calculated formula: C11 H28 Cl2 P4 Pd2 S2
• SMILES: C1[P](C)(C)[Pd]2([P](C[P](C)(C)[Pd](C(=S)S2)([P]1(C)C)Cl)(C)C)Cl
• Title of publication: Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates
• Authors of publication: Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8094 - 8105
• a: 27.7975 ± 0.0004 Å
• b: 27.7975 ± 0.0004 Å
• c: 17.7113 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11852 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No