Information card for entry 4303578

Structure parameters

• Chemical name: Mu-(1,2,4,5-tetrathiolatobenzenebis((1,2-bis(dicyclohexyl phosphino)ethane)palladium(II)) Chlorobenzene solvate 1,2-Dichloroethane solvate
• Formula: C86 H126 Cl8 P4 Pd2 S4
• Calculated formula: C86 H126 Cl8 P4 Pd2 S4
• SMILES: c12c(S[Pd]3(S1)[P](C1CCCCC1)(C1CCCCC1)CC[P]3(C1CCCCC1)C1CCCCC1)cc1c(S[Pd]3(S1)[P](C1CCCCC1)(C1CCCCC1)CC[P]3(C1CCCCC1)C1CCCCC1)c2.C(Cl)CCl.c1(ccccc1)Cl.c1(ccccc1)Cl.C(CCl)Cl.c1(ccccc1)Cl.c1(ccccc1)Cl
• Title of publication: Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes
• Authors of publication: Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10591 - 10607
• a: 29.076 ± 0.003 Å
• b: 29.076 ± 0.003 Å
• c: 11.43 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9663.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No