Information card for entry 7029898

Structure parameters

• Formula: C34 H48 Li N2 O
• Calculated formula: C34 H48 Li N2 O
• Title of publication: Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.
• Authors of publication: Janes, Trevor; Rawson, Jeremy M.; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10640 - 10648
• a: 10.412 ± 0.0005 Å
• b: 10.412 ± 0.0005 Å
• c: 29.2952 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3175.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No