Information card for entry 4326248

Structure parameters

• Formula: C80 H84 Cd4 N12 O32
• Calculated formula: C80 H84 Cd4 N12 O32
• Title of publication: 1D + 1D →1D Polyrotaxane, 2D + 2D →3D Interpenetrated, and 3D Self-Penetrated Divalent Metal Terephthalate Bis(pyridylformyl)piperazine Coordination Polymers
• Authors of publication: Curtis Y. Wang; Zachary M. Wilseck; Robert L. LaDuca
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8997 - 9003
• a: 9.5104 ± 0.0013 Å
• b: 12.7291 ± 0.0017 Å
• c: 19.131 ± 0.003 Å
• α: 100.348 ± 0.002°
• β: 97.09 ± 0.001°
• γ: 107.716 ± 0.001°
• Cell volume: 2130.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No