Information card for entry 7046962

Structure parameters

• Formula: C360 H304 N8 O84 S16 Zn16
• Calculated formula: C360 H294 N8 O84 S16 Zn16
• Title of publication: Stimuli-responsive metal-organic supercontainers as synthetic proton receptors.
• Authors of publication: Sun, Cheng-Zhe; Cheng, Li-Ji; Qiao, Yupu; Zhang, Li-Yi; Chen, Zhong-Ning; Dai, Feng-Rong; Lin, Wei; Wang, Zhenqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 10256 - 10263
• a: 20.5268 ± 0.0013 Å
• b: 25.0518 ± 0.0016 Å
• c: 26.6569 ± 0.0017 Å
• α: 111.239 ± 0.003°
• β: 90.99 ± 0.003°
• γ: 102.756 ± 0.003°
• Cell volume: 12389.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No