Information card for entry 4302979

Structure parameters

• Common name: [Pd2(dppp)2(4,4'-bipy)(LpXy)].4(OTf)
• Chemical name: [p-xylene]
• Formula: C92 H80 F12 N8 O12 P4 Pd2 S4
• Calculated formula: C92 H80 F12 N8 O12 P4 Pd2 S4
• Title of publication: Heteroligand Molecular "Stirrups" Using Conformationally Flexible Ditopic Pyridyl-Pyrazolyl Ligands
• Authors of publication: Jinzhen Lu; David R. Turner; Lindsay P. Harding; Stuart R. Batten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7525 - 7527
• a: 28.0643 ± 0.0008 Å
• b: 23.5338 ± 0.0006 Å
• c: 18.5747 ± 0.0006 Å
• α: 90°
• β: 93.262 ± 0.002°
• γ: 90°
• Cell volume: 12248 ± 0.6 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No