Information card for entry 7039019

Structure parameters

• Formula: C11 H10 Cu O7
• Calculated formula: C11 H8 Cu O7.00007
• Title of publication: Tuning the adsorption behaviors of water, methanol, and ethanol in a porous material by varying the flexibility of substituted groups.
• Authors of publication: Sha, Yunfei; Bai, Shizhe; Lou, Jiaying; Wu, Da; Liu, Baizhan; Ling, Yun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7235 - 7239
• a: 18.4978 ± 0.0019 Å
• b: 18.4978 ± 0.0019 Å
• c: 6.7746 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2007.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No