Information card for entry 1574635

Structure parameters

• Chemical name: Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate
• Formula: C48 H64 Cl4 N6 Zn
• Calculated formula: C48 H64 Cl4 N6 Zn
• Title of publication: Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate
• Authors of publication: Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 5
• Pages of publication: x250356
• a: 14.0683 ± 0.0002 Å
• b: 18.4885 ± 0.0002 Å
• c: 17.7569 ± 0.0002 Å
• α: 90°
• β: 93.407 ± 0.001°
• γ: 90°
• Cell volume: 4610.44 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0522
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No