Information card for entry 1508106

Structure parameters

• Formula: C62 H96 Al2 I2 N6
• Calculated formula: C62 H96 Al2 I2 N6
• SMILES: I[Al]1([Al]2(I)[N](=C(N2c2c(cccc2C(C)C)C(C)C)N(C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(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: 10.045 ± 0.002 Å
• b: 20.189 ± 0.004 Å
• c: 15.403 ± 0.003 Å
• α: 90°
• β: 97.87 ± 0.03°
• γ: 90°
• Cell volume: 3094.3 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No