Information card for entry 4111017

Structure parameters

• Common name: cis-Pd2(C6H4PPh2)(O2CCMe3)2Cl2
• Formula: C46 H46 Cl2 O4 P2 Pd2
• Calculated formula: C46 H46 Cl2 O4 P2 Pd2
• SMILES: C1(C(C)(C)C)=[O][Pd]234(c5c([P](c6ccccc6)(c6ccccc6)[Pd]4(O1)([O]=C(C(C)(C)C)O2)(c1c([P]3(c2ccccc2)c2ccccc2)cccc1)Cl)cccc5)Cl
• Title of publication: High Yield Syntheses of Stable, Singly Bonded Pd26+ Compounds
• Authors of publication: F. Albert Cotton; Igor O. Koshevoy; Pascual Lahuerta; Carlos A. Murillo; Mercedes Sanaú; M. Angeles Ubeda; Qinliang Zhao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13674 - 13675
• a: 11.711 ± 0.0003 Å
• b: 17.195 ± 0.0004 Å
• c: 21.146 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4258.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No