Information card for entry 7703890

Structure parameters

• Chemical name: [Na(N3Dipp2)(15-crown-5)]
• Formula: C41 H62 N3 Na O5
• Calculated formula: C41 H62 N3 Na O5
• SMILES: [Na]12345([O]6CC[O]2CC[O]4CC[O]1CC[O]3CC6)N(c1c(cccc1C(C)C)C(C)C)N=[N]5c1c(C(C)C)cccc1C(C)C.c1(ccccc1)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: 14.0109 ± 0.0015 Å
• b: 16.0444 ± 0.0013 Å
• c: 18.2255 ± 0.0018 Å
• α: 90°
• β: 86.298 ± 0.004°
• γ: 90°
• Cell volume: 4088.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.2016
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No