Information card for entry 7710278

Structure parameters

• Formula: C96 H102 Ba2 N2 O4
• Calculated formula: C96 H102 Ba2 N2 O4
• 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: 11.4133 ± 0.0003 Å
• b: 12.6652 ± 0.0003 Å
• c: 14.479 ± 0.0003 Å
• α: 73.278 ± 0.001°
• β: 82.423 ± 0.001°
• γ: 81.815 ± 0.001°
• Cell volume: 1974.9 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No