Information card for entry 7048897

Structure parameters

• Common name: [Li(N3Dmp2)(OC4H8)2].OC4H8
• Formula: C60 H74 Li N3 O3
• Calculated formula: C60 H74 Li N3 O3
• 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: 11.925 ± 0.0004 Å
• b: 17.6801 ± 0.0005 Å
• c: 24.5702 ± 0.0007 Å
• α: 90°
• β: 97.213 ± 0.001°
• γ: 90°
• Cell volume: 5139.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No