Information card for entry 7033586

Structure parameters

• Formula: C38 H72 Cl2 O2 P4 Pd2
• Calculated formula: C38 H72 Cl2 O2 P4 Pd2
• SMILES: C(#Cc1c(OCC)cc(C#C[Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Cl)c(c1)OCC)[Pd]([P](CC)(CC)CC)(Cl)[P](CC)(CC)CC
• Title of publication: Synthesis, characterization and solid-state photoluminescence studies of six alkoxy phenylene ethynylene dinuclear palladium(ii) rods.
• Authors of publication: Figueira, João; Czardybon, Wojciech; Mesquita, José Carlos; Rodrigues, João; Lahoz, Fernando; Russo, Luca; Valkonen, Arto; Rissanen, Kari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4003 - 4015
• a: 12.093 ± 0.002 Å
• b: 15.652 ± 0.003 Å
• c: 13.128 ± 0.003 Å
• α: 90°
• β: 107.02 ± 0.03°
• γ: 90°
• Cell volume: 2376 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1425
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No