Information card for entry 7063105

Structure parameters

• Formula: C40 H50 Br1.86 Mg2 N8 O
• Calculated formula: C40 H50 Br1.8544 Mg2 N8 O
• Title of publication: Magnesium(ii) complexes supported by indole- and pyrrole-containing Schiff-base ligands: syntheses, structures, and applications as precatalysts in the hydroboration of nitriles and alkynes
• Authors of publication: Wu, Mengxiang; Chen, Ling; Yang, Xiaohan; Li, Yahong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 7125 - 7133
• a: 9.4766 ± 0.0004 Å
• b: 13.9573 ± 0.0005 Å
• c: 31.4956 ± 0.0011 Å
• α: 90°
• β: 95.961 ± 0.001°
• γ: 90°
• Cell volume: 4143.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No