Information card for entry 7220192

Structure parameters

• Formula: C44 H52 Co4 N4 O16
• Calculated formula: C44 H52 Co4 N4 O16
• 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: 26.429 ± 0.005 Å
• b: 8.4637 ± 0.0017 Å
• c: 22.736 ± 0.005 Å
• α: 90°
• β: 114.74 ± 0.03°
• γ: 90°
• Cell volume: 4619 ± 2 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: 0.081
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No