Information card for entry 7710270

Structure parameters

• Formula: C60 H60 Mg N2 O3
• Calculated formula: C60 H60 Mg N2 O3
• Title of publication: Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)
• Authors of publication: Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 21.6285 ± 0.0005 Å
• b: 10.8549 ± 0.0002 Å
• c: 21.1559 ± 0.0004 Å
• α: 90°
• β: 103.708 ± 0.001°
• γ: 90°
• Cell volume: 4825.4 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No