Information card for entry 7135603

Structure parameters

• Formula: C36.955 H67.886 Br0.023 Mg N O P Si
• Calculated formula: C36.9544 H67.886 Br0.0228 Mg N O P Si
• Title of publication: Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp3) bonds
• Authors of publication: Kubisz, Malte; Hadlington, Terrance John; Fernandez, Israel
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 20.032 ± 0.004 Å
• b: 19.501 ± 0.004 Å
• c: 19.921 ± 0.004 Å
• α: 90°
• β: 95.54 ± 0.03°
• γ: 90°
• Cell volume: 7746 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No