Information card for entry 7034604

Structure parameters

• Formula: C18 H23 N3
• Calculated formula: C18 H23 N3
• SMILES: N(=NNc1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: 1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.
• Authors of publication: Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8089 - 8099
• a: 8.4016 ± 0.0003 Å
• b: 22.3568 ± 0.0007 Å
• c: 8.8088 ± 0.0002 Å
• α: 90°
• β: 96.33 ± 0.002°
• γ: 90°
• Cell volume: 1644.49 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No