Information card for entry 7000688

Structure parameters

• Formula: C66 H52 Cl0 P4 Pd2 S4
• Calculated formula: C66 H52 P4 Pd2 S4
• SMILES: [Pd]12([P](C#C[P]([Pd]3(Sc4cc(C)ccc4S3)[P](C#C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Sc1c(S2)ccc(C)c1
• Title of publication: Heteroleptic binuclear palladium(II) and platinum(II) complexes containing 1,2-bis(diphenylphosphino)acetylene and 1,2-benzenedithiolates: syntheses, crystal structures, electrochemistry and photoluminescence properties
• Authors of publication: Shin, Kyong-Soon; Son, Kyung-In; Kim, Jae Il; Hong, Chang Seop; Suh, Myungkoo; Noh, Dong-Youn
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1767 - 1775
• a: 10.8273 ± 0.0007 Å
• b: 14.6236 ± 0.001 Å
• c: 21.0611 ± 0.0013 Å
• α: 97.031 ± 0.002°
• β: 97.023 ± 0.002°
• γ: 91.372 ± 0.002°
• Cell volume: 3282.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No