Information card for entry 1575136

Structure parameters

• Formula: C114 H114 Cu14 O12
• Calculated formula: C114 H114 Cu14 O12
• 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: 14.194 ± 0.002 Å
• b: 14.474 ± 0.002 Å
• c: 14.986 ± 0.002 Å
• α: 97.877 ± 0.004°
• β: 112.526 ± 0.004°
• γ: 97.863 ± 0.004°
• Cell volume: 2756.1 ± 0.7 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2156
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No