Information card for entry 4305997

Structure parameters

• Formula: C54 H61 F6 N4 O6.5 P2 Pd2 S4
• Calculated formula: C54 H56 F6 N4 O6.5 P2 Pd2 S4
• Title of publication: Formation of P-C Bonds under Unexpectedly Mild Conditions. Phosphoryl Migration and Metal Coordination of Diphenylphosphinomethyl-oxazolines and -thiazolines
• Authors of publication: Roberto Pattacini; Günter Margraf; Abdelatif Messaoudi; Nicola Oberbeckmann-Winter; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9886 - 9897
• a: 9.6076 ± 0.0001 Å
• b: 12.7675 ± 0.0001 Å
• c: 25.3804 ± 0.0004 Å
• α: 96.3772 ± 0.0004°
• β: 92.954 ± 0.0004°
• γ: 107.771 ± 0.0007°
• Cell volume: 2934.37 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No