Information card for entry 7030590

Structure parameters

• Formula: C67 H57 Cl3 O2 P4 Pt2 S4
• Calculated formula: C67 H51 Cl3 O2 P4 Pt2 S4
• 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: 10.8814 ± 0.0008 Å
• b: 14.7267 ± 0.0012 Å
• c: 21.2919 ± 0.0016 Å
• α: 97.397 ± 0.002°
• β: 96.961 ± 0.002°
• γ: 92.179 ± 0.003°
• Cell volume: 3353.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000690
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No