Information card for entry 7236417

Structure parameters

• Formula: C36 H24 Cu3 N9 O6
• Calculated formula: C36 H24 Cu3 N9 O6
• Title of publication: Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity
• Authors of publication: Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 17
• Pages of publication: 7816
• a: 17.4696 ± 0.0005 Å
• b: 17.4696 ± 0.0005 Å
• c: 33.7023 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10285.5 ± 0.5 ų
• Cell temperature: 100 ± 10 K
• Ambient diffraction temperature: 100 ± 10 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.3106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No