Information card for entry 7113977

Structure parameters

• Formula: C38 H33 Cd N3 O7 S
• Calculated formula: C38 H33 Cd N3 O7 S
• Title of publication: Solid-state polymerization in a polyrotaxane coordination polymer via a [2+2] cycloaddition reaction
• Authors of publication: In-Hyeok Park; Raghavender Medishetty; Shim Sung Lee; Jagadese J. Vittal
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6585
• a: 7.388 ± 0.0017 Å
• b: 15.153 ± 0.004 Å
• c: 15.551 ± 0.003 Å
• α: 91.805 ± 0.014°
• β: 95.361 ± 0.014°
• γ: 90.38 ± 0.015°
• Cell volume: 1732.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No