Information card for entry 4081709

Structure parameters

• Formula: C38 H54 Mg N4 O2
• Calculated formula: C38 H54 Mg N4 O2
• SMILES: [Mg]12([N](=C(C#Cc3ccccc3)N1C(C)C)C(C)C)([N](=C(C#Cc1ccccc1)N2C(C)C)C(C)C)([O]1CCCC1)[O]1CCCC1
• 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: 9.373 ± 0.0003 Å
• b: 10.036 ± 0.0004 Å
• c: 10.5466 ± 0.0004 Å
• α: 78.282 ± 0.003°
• β: 70.533 ± 0.003°
• γ: 77.85 ± 0.003°
• Cell volume: 904.86 ± 0.06 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No