Information card for entry 4081392

Structure parameters

• Formula: C77 H108 Mg2 N4
• Calculated formula: C77 H108 Mg2 N4
• Title of publication: Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides
• Authors of publication: Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4961
• a: 14.3722 ± 0.0002 Å
• b: 14.2901 ± 0.0002 Å
• c: 16.8881 ± 0.0003 Å
• α: 90°
• β: 97.274 ± 0.001°
• γ: 90°
• Cell volume: 3440.57 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No