Information card for entry 7048701

Structure parameters

• Formula: C50 H72 Ca N6
• Calculated formula: C50 H72 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: 11.9728 ± 0.0002 Å
• b: 16.9256 ± 0.0004 Å
• c: 12.7315 ± 0.0003 Å
• α: 90°
• β: 114.75 ± 0.001°
• γ: 90°
• Cell volume: 2343.01 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No