Information card for entry 7048868

Structure parameters

• Formula: C47 H58.67 Mg N4 S2
• Calculated formula: C46.9999 H58.6663 Mg N4 S2
• Title of publication: Reactivity of a β-diketiminate-supported magnesium alkyl complex toward small molecules.
• Authors of publication: Ren, Wenshan; Zhang, Shaohui; Xu, Ziyi; Ma, Xuebing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 3109 - 3115
• a: 21.2566 ± 0.0002 Å
• b: 17.0216 ± 0.0002 Å
• c: 13.6278 ± 0.0002 Å
• α: 90°
• β: 105.952 ± 0.001°
• γ: 90°
• Cell volume: 4740.95 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No