Information card for entry 1571989

Structure parameters

• Formula: C52 H75 Mg2 N5 O3
• Calculated formula: C52 H75 Mg2 N5 O3
• Title of publication: Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.
• Authors of publication: Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 11807 - 11813
• a: 9.2215 ± 0.0003 Å
• b: 11.1028 ± 0.0004 Å
• c: 27.4961 ± 0.0007 Å
• α: 80.246 ± 0.003°
• β: 84.648 ± 0.003°
• γ: 67.366 ± 0.003°
• Cell volume: 2559.57 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0757
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No