Information card for entry 7719146

Structure parameters

• Formula: C126.5 H179.5 Al2 Mg2 N8 O6.75 Si1.5
• Calculated formula: C122 H166 Al2 Mg2 N8 O6
• Title of publication: Homocoupling of C₁ building blocks by a heterometallic Mg-Al complex.
• Authors of publication: Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 11828 - 11832
• a: 16.77596 ± 0.00016 Å
• b: 16.77596 ± 0.00016 Å
• c: 45.5458 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12818.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No