Information card for entry 7239545

Structure parameters

• Formula: C110 H184 Cu4 N14 O44
• Calculated formula: C54 H30 Cu4 N2 O18
• Title of publication: Multipoint interactions enhanced H2 storage and organosulfur removal in a microporous metal‒organic framework
• Authors of publication: He, Wen-Wen; Li, Shun-Li; Li, Wen-Liang; Li, Ji-Sen; Yang, Guang-Sheng; Zhang, Shu-Ran; Lan, Ya-Qian; Shen, Ping; Su, Zhong-Min
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 37
• Pages of publication: 11111
• a: 26.07 ± 0.005 Å
• b: 26.07 ± 0.005 Å
• c: 18.601 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12642 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No