Information card for entry 7016073

Structure parameters

• Formula: C37 H62 B2 Mg N4
• Calculated formula: C37 H62 B2 Mg N4
• SMILES: [Mg]1([N]5(CCCC5)[BH2][N]5(CCCC5)[BH3])[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Stoichiometric reactivity of dialkylamine boranes with alkaline earth silylamides.
• Authors of publication: Hill, Michael S.; Hodgson, Marina; Liptrot, David J.; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7783 - 7790
• a: 11.8737 ± 0.0002 Å
• b: 16.2685 ± 0.0003 Å
• c: 19.3354 ± 0.0004 Å
• α: 90°
• β: 93.564 ± 0.001°
• γ: 90°
• Cell volume: 3727.74 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No