Information card for entry 4081394

Structure parameters

• Formula: C72 H97 Mg2 N4 O2
• Calculated formula: C72 H99 Mg2 N4 O2
• 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: 17.6079 ± 0.0006 Å
• b: 20.0029 ± 0.0008 Å
• c: 11.5326 ± 0.0004 Å
• α: 90°
• β: 124.421 ± 0.003°
• γ: 90°
• Cell volume: 3350.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No