Information card for entry 4077313

Structure parameters

• Formula: C42 H57 Br3 N6 Pd3
• Calculated formula: C42 H57 Br3 N6 Pd3
• SMILES: [N]1(Cc2c3[Pd]1(Br)[N](Cc3cc(c2)c1cc(c2cc3c4[Pd]([N](C3)(C)C)(Br)[N](Cc4c2)(C)C)cc(c2cc3c4[Pd]([N](C3)(C)C)(Br)[N](Cc4c2)(C)C)c1)(C)C)(C)C
• Title of publication: Design and Performance of Rigid Nanosize Multimetallic Cartwheel Pincer Compounds as Lewis-Acid Catalysts
• Authors of publication: Dijkstra, Harm P.; Meijer, Michel D.; Patel, Jim; Kreiter, Rob; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; Canty, Allan J.; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 14
• Pages of publication: 3159
• a: 15.6134 ± 0.0002 Å
• b: 15.6134 ± 0.0002 Å
• c: 35.2061 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7432.65 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No