Information card for entry 4083621

Structure parameters

• Formula: C54 H70 Mg2 N8
• Calculated formula: C54 H70 Mg2 N8
• SMILES: C1(=[N]([Mg](N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)(N1C=CC=CC1)[n]1ccccc1)[N]1=C(C)C=C(C)N(c2c(cccc2C(C)C)C(C)C)[Mg]1(N1C=CC=CC1)[n]1ccccc1)C
• Title of publication: Multinuclear Magnesium Hydride Clusters: Selective Reduction and Catalytic Hydroboration of Pyridines
• Authors of publication: Intemann, Julia; Lutz, Martin; Harder, Sjoerd
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5722
• a: 30.8482 ± 0.0015 Å
• b: 9.9089 ± 0.0004 Å
• c: 17.3175 ± 0.0007 Å
• α: 90°
• β: 108.364 ± 0.002°
• γ: 90°
• Cell volume: 5023.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No