Information card for entry 7232237

Structure parameters

• Formula: B12 H2 Li2 Na2 O21
• Calculated formula: B12 H2 Li2 Na2 O21
• Title of publication: Li2Na2[B12O19(OH)2]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units
• Authors of publication: Han, Bei-Bei; Cheng, Jian-Wen; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1262
• a: 14.259 ± 0.002 Å
• b: 13.0995 ± 0.0013 Å
• c: 10.2027 ± 0.0014 Å
• α: 90°
• β: 123.36 ± 0.02°
• γ: 90°
• Cell volume: 1591.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No