Information card for entry 1575140

Structure parameters

• Formula: C45 H48 Cu7 N O6
• Calculated formula: C44.9995 H47.9991 Cu7 N O6
• Title of publication: <i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties.
• Authors of publication: Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 68
• Pages of publication: 12781 - 12784
• a: 26.729 ± 0.003 Å
• b: 26.729 ± 0.003 Å
• c: 26.729 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19096 ± 4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2882
• Weighted residual factors for all reflections included in the refinement: 0.3341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No