Information card for entry 7704731

Structure parameters

• Formula: B5 Cu H12.5 K0.54 Na0.47 O15.5
• Calculated formula: B5 Cu H8 K0.54 Na0.46 O13.25
• Title of publication: Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.
• Authors of publication: Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 10156 - 10161
• a: 18.1973 ± 0.0011 Å
• b: 18.1973 ± 0.0011 Å
• c: 10.6676 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3532.5 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.15 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No