Information card for entry 4326246

Structure parameters

• Formula: C24 H32 N4 O12 Zn
• Calculated formula: C24 H32 N4 O12 Zn
• 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: 11.114 ± 0.003 Å
• b: 11.991 ± 0.003 Å
• c: 11.422 ± 0.003 Å
• α: 90°
• β: 119.11°
• γ: 90°
• Cell volume: 1329.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No