Information card for entry 1543520

Structure parameters

• Formula: C57 H86 N2 Pd Zn4
• Calculated formula: C57 H86 N2 Pd Zn4
• Title of publication: Zn⋯Zn interactions at nickel and palladium centers
• Authors of publication: Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 6413
• a: 25.6662 ± 0.0006 Å
• b: 25.5792 ± 0.0006 Å
• c: 35.0042 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22981 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No