Information card for entry 7123054

Structure parameters

• Formula: C8 H18 B6 Li N4
• Calculated formula: C8 H18 B6 Li N4
• 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: 10.0374 ± 0.0004 Å
• b: 10.0374 ± 0.0004 Å
• c: 31.778 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3201.6 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No