Information card for entry 7000687

Structure parameters

• Formula: C64 H44 Cl4 O0 P4 Pd2 S4
• Calculated formula: C64 H44 Cl4 P4 Pd2 S4
• SMILES: C1#C[P](c2ccccc2)(c2ccccc2)[Pd]2(Sc3c(ccc(c3S2)Cl)Cl)[P](C#C[P](c2ccccc2)(c2ccccc2)[Pd]2(Sc3c(ccc(c3S2)Cl)Cl)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 26.9243 ± 0.0013 Å
• b: 17.0332 ± 0.0013 Å
• c: 17.4498 ± 0.0013 Å
• α: 90°
• β: 124.389 ± 0.005°
• γ: 90°
• Cell volume: 6603.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No