Information card for entry 7239979

Structure parameters

• Formula: C108 H112 N6 O44 S12 Zn3
• Calculated formula: C108 H112 N6 O44 S12 Zn3
• Title of publication: Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture
• Authors of publication: Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.7067 ± 0.0006 Å
• b: 13.0794 ± 0.0004 Å
• c: 21.0583 ± 0.0008 Å
• α: 88.535 ± 0.003°
• β: 73.381 ± 0.004°
• γ: 61.238 ± 0.004°
• Cell volume: 2913.6 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0698
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No