Information card for entry 7000686

Structure parameters

• Formula: C67 H51 Cl9 P4 Pd2 S4
• Calculated formula: C67 H51 Cl9 P4 Pd2 S4
• SMILES: [Pd]12(Sc3ccccc3S2)[P](C#C[P]([Pd]2(Sc3ccccc3S2)[P](C#C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 13.7965 ± 0.0003 Å
• b: 14.0504 ± 0.0003 Å
• c: 36.1985 ± 0.0008 Å
• α: 90°
• β: 93.538 ± 0.001°
• γ: 90°
• Cell volume: 7003.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No