Information card for entry 7034606

Structure parameters

• Formula: C44 H64 K2 N6 O4
• Calculated formula: C44 H64 K2 N6 O4
• SMILES: [K]123456([O](C)CC[O]1C)[N]1(c7c(cc(cc7C)C)C)[N]27=[N]3(c2c(cc(cc2C)C)C)[K]12378([O](C)CC[O]3C)[N]4(c1c(cc(cc1C)C)C)[N]25=[N]68c1c(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: 10.4235 ± 0.0002 Å
• b: 12.6648 ± 0.0002 Å
• c: 17.7569 ± 0.0003 Å
• α: 90°
• β: 102.744 ± 0.001°
• γ: 90°
• Cell volume: 2286.37 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No