Information card for entry 7109746

Structure parameters

• Formula: C42.5 H49.5 N6.5 Na2 O20.5 Zn3
• Calculated formula: C33 H24 N3 Na2 O18 Zn3
• Title of publication: A multifunctional proton-conducting and sensing pillar-layer framework based on [24-MC-6] heterometallic crown clusters
• Authors of publication: Xing Meng; Xue-Zhi Song; Shu-Yan Song; Guo-Cheng Yang; Min Zhu; Zhao-Min Hao; Shu-Na Zhao; Hong-Jie Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8483
• a: 14.7 ± 0.002 Å
• b: 14.7 ± 0.004 Å
• c: 13.252 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120 ± 0.003°
• Cell volume: 2480 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No