Information card for entry 4342067

Structure parameters

• Formula: C38 H54 Mg N12
• Calculated formula: C38 H54 Mg N12
• SMILES: C1(=n2c(c(c(C)n23)C)C)n2c(c(c(C)[n]2[Mg]324([n]3c(c(c(C)n13)C)C)C)C)n1c(C)c(C)c(C)n1=C(n1c(c(c(C)[n]12)C)C)n1c(c(c(C)[n]14)C)C
• Title of publication: Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.
• Authors of publication: Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 635 - 645
• a: 14.2988 ± 0.0004 Å
• b: 14.2988 ± 0.0004 Å
• c: 20.8543 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3692.54 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No