Information card for entry 1568255

Structure parameters

• Formula: C62 H90 N4 Zn2
• Calculated formula: C62 H90 N4 Zn2
• Title of publication: Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.
• Authors of publication: Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1590 - 1597
• a: 12.4022 ± 0.0004 Å
• b: 15.979 ± 0.0004 Å
• c: 31.6956 ± 0.0007 Å
• α: 83.997 ± 0.002°
• β: 83.924 ± 0.002°
• γ: 68.783 ± 0.002°
• Cell volume: 5807.7 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No