Information card for entry 7235237

Structure parameters

• Formula: C12 H8 B2 D24 Mg O3
• Calculated formula: C12 H8 B2 D24 Mg O3
• Title of publication: Structural and reorientational dynamics of tetrahydroborate (BH₄^-) and tetrahydrofuran (THF) in a Mg(BH₄)₂·3THF adduct: neutron-scattering characterization.
• Authors of publication: Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2019
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 368 - 378
• a: 11.9604 ± 0.0012 Å
• b: 12.4903 ± 0.0014 Å
• c: 19.9494 ± 0.0023 Å
• α: 90°
• β: 144.456 ± 0.0031°
• γ: 90°
• Cell volume: 1732.5 ± 0.4 ų
• Cell temperature: 225 K
• Ambient diffraction temperature: 225 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• RFsqd: 0.08542
• Goodness-of-fit parameter for all reflections: 1.22
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.5397 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No