Information card for entry 4135122

Structure parameters

• Formula: C84 H172 Cu4 K4 N12 O28 Sn18
• Calculated formula: C84 H172 Cu4 K4 N12 O28 Sn18
• Title of publication: [Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene.
• Authors of publication: Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 15.6801 ± 0.0003 Å
• b: 15.8817 ± 0.0003 Å
• c: 16.6035 ± 0.0003 Å
• α: 107.945 ± 0.002°
• β: 96.88 ± 0.001°
• γ: 112.688 ± 0.002°
• Cell volume: 3492.49 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No