Information card for entry 4082238

Structure parameters

• Formula: C61 H57 As2 Cl2 Cu2 Pd2
• Calculated formula: C64 H40 As2 Cl2 Cu2 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: 12.041 ± 0.004 Å
• b: 20.957 ± 0.006 Å
• c: 11.964 ± 0.003 Å
• α: 90°
• β: 105.338 ± 0.008°
• γ: 90°
• Cell volume: 2911.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2837
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No