Information card for entry 1572128

Structure parameters

• Chemical name: [1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate
• Formula: C23 H30 Cl N5 O3 Zn
• Calculated formula: C23 H30 Cl N5 O3 Zn
• Title of publication: [1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate
• Authors of publication: Ichimaru, Yoshimi; Sugiura, Kirara; Kato, Koichi; Kondo, Yuki; Kurihara, Masaaki; Jin, Wanchun; Imai, Masanori; Kurosaki, Hiromasa
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 7
• a: 15.9086 ± 0.0001 Å
• b: 7.8088 ± 0.0001 Å
• c: 19.5342 ± 0.0002 Å
• α: 90°
• β: 106.157 ± 0.001°
• γ: 90°
• Cell volume: 2330.83 ± 0.04 ų
• Cell temperature: 92.95 K
• Ambient diffraction temperature: 92.95 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: 0.0427
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No