Information card for entry 4110152

Structure parameters

• Formula: C146 H140 F48 N26 O20 P8 Pd2 S0
• Calculated formula: C146 H140 F48 N26 O20 P8 Pd2
• 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: 15.821 ± 0.004 Å
• b: 16.112 ± 0.004 Å
• c: 19.211 ± 0.004 Å
• α: 111.089 ± 0.004°
• β: 100.668 ± 0.004°
• γ: 98.214 ± 0.004°
• Cell volume: 4371.3 ± 1.8 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: 0.0685
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No