Information card for entry 7034675

Structure parameters

• Formula: C44 H64 Cu4 N10 O31
• Calculated formula: C44 H64 Cu4 N10 O31
• Title of publication: A metal-organic framework constructed using a flexible tripodal ligand and tetranuclear copper cluster for sensing small molecules.
• Authors of publication: Hou, Chaoyi; Bai, Yue-Ling; Bao, XiaoLi; Xu, Liangzhen; Lin, Rong-Guang; Zhu, Shourong; Fang, Jianhui; Xu, Jiaqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7770 - 7773
• a: 22.877 ± 0.003 Å
• b: 23.111 ± 0.003 Å
• c: 18.364 ± 0.002 Å
• α: 90°
• β: 105.399 ± 0.002°
• γ: 90°
• Cell volume: 9361 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No