Information card for entry 1571986

Structure parameters

• Formula: C92 H133 Mg4 N10 O1.5
• Calculated formula: C92 H133 Mg4 N10 O1.5
• 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: 20.0772 ± 0.0002 Å
• b: 15.05708 ± 0.00015 Å
• c: 30.2204 ± 0.0003 Å
• α: 90°
• β: 93.6657 ± 0.0009°
• γ: 90°
• Cell volume: 9117.06 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No