Information card for entry 1508108

Structure parameters

• Formula: C46 H60 Mg2 N4
• Calculated formula: C46 H60 Mg2 N4
• SMILES: C1=C(C)N(c2c(cc(cc2C)C)C)[Mg]2([N](=C1C)c1c(cc(cc1C)C)C)[H][Mg]1([H]2)N(c2c(cc(cc2C)C)C)C(C)=CC(C)=[N]1c1c(cc(cc1C)C)C
• Title of publication: Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.
• Authors of publication: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 865 - 869
• a: 13.475 ± 0.003 Å
• b: 8.2292 ± 0.0016 Å
• c: 19.771 ± 0.004 Å
• α: 90°
• β: 101.7 ± 0.03°
• γ: 90°
• Cell volume: 2146.8 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No