Information card for entry 7048893

Structure parameters

• Common name: [Na(N3Dmp2)]
• Formula: C48 H50 N3 Na
• Calculated formula: C48 H50 N3 Na
• SMILES: c1(c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)N1[Na][N](=N1)c1c(cccc1c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C
• Title of publication: Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.
• Authors of publication: McKay, Alasdair I.; Cole, Marcus L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 2948 - 2952
• a: 14.2522 ± 0.0019 Å
• b: 19.794 ± 0.003 Å
• c: 14.8684 ± 0.0018 Å
• α: 90°
• β: 109.082 ± 0.006°
• γ: 90°
• Cell volume: 3964 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No