Information card for entry 4081710

Structure parameters

• Formula: C38 H58 Br2 Mg2 N4 O2
• Calculated formula: C38 H58 Br2 Mg2 N4 O2
• SMILES: [Br]1[Mg]2([Br][Mg]31([O](CC)CC)[N](=C(N3C(C)C)C#Cc1ccccc1)C(C)C)([O](CC)CC)[N](=C(N2C(C)C)C#Cc1ccccc1)C(C)C
• Title of publication: Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds
• Authors of publication: Schwamm, Ryan J.; Coles, Martyn P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5277
• a: 18.0583 ± 0.00013 Å
• b: 12.4028 ± 0.00008 Å
• c: 19.3374 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4331.06 ± 0.05 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No