Information card for entry 7123053

Structure parameters

• Formula: C12 H30 B6 Li O3
• Calculated formula: C12 H30 B6 Li O3
• Title of publication: Molten metal closo-borate solvates
• Authors of publication: Møller, Kasper T.; Paskevicius, Mark; Andreasen, Jacob Ginnerup; Lee, Junqiao; Chen-Tan, Nigel; Overgaard, Jacob; Payandeh, Seyedhosein; Silvester, Debbie S.; Buckley, Craig; Jensen, Torben Rene R.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.7037 ± 0.0004 Å
• b: 14.1409 ± 0.0003 Å
• c: 18.2503 ± 0.0004 Å
• α: 90°
• β: 111.27 ± 0.003°
• γ: 90°
• Cell volume: 3536.18 ± 0.16 ų
• Cell temperature: 100.02 ± 0.16 K
• Ambient diffraction temperature: 100.02 ± 0.16 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: 0.0668
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No