Information card for entry 4110154

Structure parameters

• Formula: C112 H132 F29 N12 O42 P4 Pd2 S4
• Calculated formula: C112 H132 F29 N12 O42 P4 Pd2 S4
• 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: 18.292 ± 0.003 Å
• b: 20.433 ± 0.003 Å
• c: 20.878 ± 0.003 Å
• α: 76.237 ± 0.004°
• β: 78.635 ± 0.004°
• γ: 79.9 ± 0.004°
• Cell volume: 7362.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.274
• Residual factor for significantly intense reflections: 0.1589
• Weighted residual factors for significantly intense reflections: 0.4089
• Weighted residual factors for all reflections included in the refinement: 0.4637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No