Information card for entry 4080821

Structure parameters

• Formula: C12 H30 Br2 Mg N4
• Calculated formula: C12 H30 Br2 Mg N4
• SMILES: C(C[N]1(C)C)[N]23CC[N]([Mg]12(Br)[N](CC3)(C)C)(C)C.[Br-]
• Title of publication: Synthesis and Reactivity of Magnesium Complexes Supported by Tris(2-dimethylaminoethyl)amine (Me6tren)
• Authors of publication: Guard, Louise M.; Hazari, Nilay
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2787
• a: 12.193 ± 0.017 Å
• b: 12.193 ± 0.017 Å
• c: 12.193 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1813 ± 4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No