Information card for entry 4082240

Structure parameters

• Formula: C58 H40 Cl2 Cu2 P2 Pd2
• Calculated formula: C58 H40 Cl2 Cu2 P2 Pd2
• Title of publication: Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling
• Authors of publication: Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 1
• a: 10.7943 ± 0.0003 Å
• b: 17.6745 ± 0.0005 Å
• c: 13.7175 ± 0.0004 Å
• α: 90°
• β: 99.057 ± 0.003°
• γ: 90°
• Cell volume: 2584.45 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No