Information card for entry 4326249

Structure parameters

• Formula: C40 H36 Cl2 N8 O8 Zn2
• Calculated formula: C40 H36 Cl2 N8 O8 Zn2
• 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: 10.4159 ± 0.0008 Å
• b: 18.6675 ± 0.0015 Å
• c: 10.0697 ± 0.0008 Å
• α: 90°
• β: 98.734 ± 0.001°
• γ: 90°
• Cell volume: 1935.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No