Information card for entry 7048699

Structure parameters

• Formula: C52 H60 Ca N6
• Calculated formula: C52 H60 Ca N6
• Title of publication: Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.
• Authors of publication: Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2479 - 2490
• a: 11.9432 ± 0.0002 Å
• b: 19.2797 ± 0.0003 Å
• c: 20.027 ± 0.0004 Å
• α: 90°
• β: 95.972 ± 0.001°
• γ: 90°
• Cell volume: 4586.42 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No