Information card for entry 7023833

Structure parameters

• Formula: C10 H23 Br2 Mg N2 O
• Calculated formula: C10 H23 Br2 Mg N2 O
• SMILES: [Mg]1(Br)(Br)([O]2CCCC2)[N](CC[N]1(C)C)(C)C
• Title of publication: Cross-coupling of alkyl halides with aryl or alkyl Grignards catalyzed by dinuclear Ni(II) complexes containing functionalized tripodal amine-pyrazolyl ligands.
• Authors of publication: Xue, Fei; Zhao, Jin; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 5150 - 5158
• a: 11.4772 ± 0.0012 Å
• b: 12.3357 ± 0.0012 Å
• c: 22.48 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3182.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No