Information card for entry 7251042

Structure parameters

• Formula: C26 H40 N0 O33 Sc6
• Calculated formula: C26 H40 O33 Sc6
• Title of publication: Homochiral coordination polymer with a 1D helical chain based on self-assembly of an achiral Sc(iii) trimer
• Authors of publication: Zhang, Liying; Li, Yan; Fan, Meiqing; Gao, Lu; Fan, Yong; Wang, Li
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 46
• Pages of publication: 7514 - 7519
• a: 14.9796 ± 0.0012 Å
• b: 14.9796 ± 0.0012 Å
• c: 25.7042 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4995 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No