Information card for entry 7703889

Structure parameters

• Common name: [K(DME)2(N3Dipp2)]
• Formula: C32 H54 K N3 O4
• Calculated formula: C32 H54 K N3 O4
• SMILES: [K]123([N](=NN1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)([O](CC[O]3C)C)[O](CC[O]2C)C
• Title of publication: Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.
• Authors of publication: Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5653 - 5661
• a: 14.2751 ± 0.0005 Å
• b: 15.4085 ± 0.0005 Å
• c: 16.3889 ± 0.0006 Å
• α: 90°
• β: 108.583 ± 0.001°
• γ: 90°
• Cell volume: 3416.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No