Information card for entry 7712191

Structure parameters

• Formula: C12 H88 B10 Mg5 N12
• Calculated formula: C12 H88 B10 Mg5 N12
• Title of publication: Structural insight into the magnesium borohydride - ethylenediamine solid-state Mg-ion electrolyte system.
• Authors of publication: Golub, Igor E.; Heere, Michael; Gounaris, Volodia; Li, Xiao; Steenhaut, Timothy; Wang, Jian; Robeyns, Koen; Li, Hai-Wen; Dovgaliuk, Iurii; Ikeda, Kazutaka; Hautier, Geoffroy; Filinchuk, Yaroslav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2404 - 2411
• a: 7.1569 ± 0.001 Å
• b: 12.192 ± 0.002 Å
• c: 12.5351 ± 0.0017 Å
• α: 99.432 ± 0.013°
• β: 103.986 ± 0.012°
• γ: 90.464 ± 0.013°
• Cell volume: 1045.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.798 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No