Information card for entry 1561946

Structure parameters

• Chemical name: Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)
• Formula: C8 H22 Cl2 N4 O9 Zn
• Calculated formula: C8 H22 Cl2 N4 O9 Zn
• Title of publication: Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)
• Authors of publication: Ichimaru, Yoshimi; Kato, Koichi; Kurosaki, Hiromasa; Fujioka, Haruto; Sakai, Misa; Yamaguchi, Yoshihiro; Wanchun, Jin; Sugiura, Kirara; Imai, Masanori; Koike, Tohru
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 4
• a: 12.3428 ± 0.0006 Å
• b: 8.4603 ± 0.0004 Å
• c: 16.0543 ± 0.0006 Å
• α: 90°
• β: 92.881 ± 0.004°
• γ: 90°
• Cell volume: 1674.33 ± 0.13 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes