Information card for entry 4101486

Structure parameters

• Formula: C45 H37 Cl P2 Pd2
• Calculated formula: C45 H37 Cl P2 Pd2
• SMILES: [Pd]123([Pd]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)([Cl]1)[CH]13=[CH]2c2c(C41)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.
• Authors of publication: Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6508 - 6519
• a: 13.8689 ± 0.0003 Å
• b: 14.2117 ± 0.0003 Å
• c: 19.1372 ± 0.0006 Å
• α: 90°
• β: 104.345 ± 0.002°
• γ: 90°
• Cell volume: 3654.35 ± 0.16 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No