Information card for entry 7224586

Structure parameters

• Chemical name: 1
• Formula: C21 H16 N2 O6 Pb S
• Calculated formula: C21 H16 N2 O6 Pb S
• Title of publication: Cation-directed assembly of polyrotaxane and polycatenane
• Authors of publication: Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2621
• a: 7.9089 ± 0.0004 Å
• b: 11.4057 ± 0.0006 Å
• c: 12.6968 ± 0.0006 Å
• α: 65.743 ± 0.002°
• β: 77.931 ± 0.002°
• γ: 85.251 ± 0.002°
• Cell volume: 1021.13 ± 0.09 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: 0.0175
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No