Information card for entry 7243363

Structure parameters

• Formula: B12 Cs5 H8 Li O25
• Calculated formula: B12 Cs5 H6.5 Li O25
• Title of publication: Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer
• Authors of publication: Qiu, Qi-Ming; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 37
• Pages of publication: 6518 - 6525
• a: 9.3037 ± 0.0019 Å
• b: 10.863 ± 0.002 Å
• c: 13.007 ± 0.003 Å
• α: 90°
• β: 96.316 ± 0.006°
• γ: 90°
• Cell volume: 1306.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No