Information card for entry 7710274

Structure parameters

• Formula: C78 H80 Mg N2 O3
• Calculated formula: C78 H80 Mg N2 O3
• SMILES: [Mg]([O]1CCCC1)([O]1CCCC1)(Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.O1CCCC1
• 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: 11.6149 ± 0.0002 Å
• b: 11.8127 ± 0.0003 Å
• c: 23.2496 ± 0.0005 Å
• α: 103.213 ± 0.001°
• β: 95.942 ± 0.001°
• γ: 93.433 ± 0.001°
• Cell volume: 3077.27 ± 0.12 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: 0.1171
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No