Information card for entry 7220193

Structure parameters

• Formula: C44 H52 N4 O16 Zn4
• Calculated formula: C44 H52 N4 O16 Zn4
• Title of publication: Cubane-type {M4O4} (M = CoII, ZnII, CuII) clusters: synthesis, crystal structures, and luminescent and magnetic properties
• Authors of publication: Gao, Qian; Qin, Yaru; Chen, Yanmei; Liu, Wei; Li, Hai-Yan; Wu, Bing; Li, Yahong; Li, Wu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 26.369 ± 0.005 Å
• b: 8.4456 ± 0.0013 Å
• c: 22.718 ± 0.004 Å
• α: 90°
• β: 114.642 ± 0.006°
• γ: 90°
• Cell volume: 4598.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No