Information card for entry 7001898

Structure parameters

• Common name: 1,8-bis((trans-bis(triethylphosphino)ethynylchloro)palladium(II))anthracene
• Chemical name: 1,8-bis[{trans-bis(triethylphosphino)ethynylchloro}palladium(II)]anthracene
• Formula: C42 H68 Cl2 P4 Pd2
• Calculated formula: C42 H68 Cl2 P4 Pd2
• SMILES: C(#Cc1cccc2c1cc1c(C#C[Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Cl)cccc1c2)[Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Cl
• Title of publication: Self-assembly of a PdII neutral molecular rectangle via a new organometallic PdII2 molecular clip and oxygen donor linker
• Authors of publication: Bar, Arun Kumar; Gole, Bappaditya; Ghosh, Sushobhan; Mukherjee, Partha Sarathi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 34
• Pages of publication: 6701 - 6704
• a: 26.723 ± 0.003 Å
• b: 12.9521 ± 0.0016 Å
• c: 14.0694 ± 0.0018 Å
• α: 90°
• β: 100.178 ± 0.003°
• γ: 90°
• Cell volume: 4793.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No