Information card for entry 4110155

Structure parameters

• Formula: C112.5 H136.25 F36 N12 O26 P6 Pd1.5 S0
• Calculated formula: C112.5 H136.254 F36.06 N12 O26 P6.01 Pd1.5
• Title of publication: Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles
• Authors of publication: Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13978 - 13986
• a: 37.8491 ± 0.001 Å
• b: 37.8491 ± 0.001 Å
• c: 33.4157 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41456 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1882
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No