Information card for entry 7036082

Structure parameters

• Formula: C8 H40 B4 Mg N2
• Calculated formula: C8 H40 B4 Mg N2
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.[BH2]1[H][Mg]234([H]1)([H][BH2][H]3)([H][BH2][H]2)[H][BH2][H]4
• Title of publication: Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials.
• Authors of publication: Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19469 - 19477
• a: 9.4601 ± 0.0009 Å
• b: 12.9288 ± 0.0011 Å
• c: 19.082 ± 0.003 Å
• α: 90°
• β: 119.79 ± 0.016°
• γ: 90°
• Cell volume: 2025.5 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0342
• Goodness-of-fit parameter for all reflections: 1.39
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No