Information card for entry 4065501

Structure parameters

• Formula: C14 H25 N O P Pd0.5
• Calculated formula: C14 H25 N O P Pd0.5
• Title of publication: Palladium Alkynyl and Allenylidene Complexes: Very Efficient Precatalysts for C‒C Coupling Reactions
• Authors of publication: Wuttke, Evelyn; Nägele, Bettina; Weibert, Bernhard; Kessler, Florian
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6270
• a: 7.8879 ± 0.0016 Å
• b: 9.0249 ± 0.0018 Å
• c: 11.313 ± 0.002 Å
• α: 96.64 ± 0.03°
• β: 105.58 ± 0.03°
• γ: 96.99 ± 0.03°
• Cell volume: 760.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No