Information card for entry 4342072

Structure parameters

• Formula: C42 H34 Mg N12 S6
• Calculated formula: C42 H34 Mg N12 S6
• SMILES: [Mg]([n]1[nH]c(cc1)c1sccc1)([n]1[nH]c(cc1)c1sccc1)([n]1[nH]c(cc1)c1sccc1)([n]1[nH]c(cc1)c1sccc1)(n1nc(cc1)c1sccc1)n1nc(cc1)c1sccc1
• 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: 10.0449 ± 0.0003 Å
• b: 10.1005 ± 0.0004 Å
• c: 12.2584 ± 0.0003 Å
• α: 84.551 ± 0.002°
• β: 85.855 ± 0.002°
• γ: 61.404 ± 0.002°
• Cell volume: 1086.56 ± 0.06 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: 0.0957
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No