Information card for entry 4080693

Structure parameters

• Formula: C28 H44 K2 N2 O
• Calculated formula: C28 H44 K2 N2 O
• SMILES: [K]12[NH](c3c(cccc3C(C)C)C(C)C)[K]([O]13CCCC3)[NH]2c1c(cccc1C(C)C)C(C)C
• Title of publication: 2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity
• Authors of publication: Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2649
• a: 13.0114 ± 0.0003 Å
• b: 11.4886 ± 0.0002 Å
• c: 19.3697 ± 0.0005 Å
• α: 90°
• β: 100.042 ± 0.001°
• γ: 90°
• Cell volume: 2851.08 ± 0.11 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: 0.0612
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No