Information card for entry 7710279

Structure parameters

• Formula: C86 H96 Ca N2 O5
• Calculated formula: C86 H96 Ca N2 O5
• 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: 30.1857 ± 0.0005 Å
• b: 34.568 ± 0.0005 Å
• c: 13.7013 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14296.7 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No