Information card for entry 4110150

Structure parameters

• Formula: C51 H50 F12 N7 O8 P2
• Calculated formula: C51 H50 F12 N7 O8 P2
• 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: 10.7113 ± 0.0012 Å
• b: 14.2665 ± 0.0017 Å
• c: 36.27 ± 0.004 Å
• α: 90°
• β: 98.144 ± 0.002°
• γ: 90°
• Cell volume: 5486.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No