Information card for entry 7715939

Structure parameters

• Formula: C29 H39 Li N2 O3
• Calculated formula: C29 H39 Li N2 O3
• Title of publication: Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.
• Authors of publication: Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 8.8126 ± 0.0017 Å
• b: 16.863 ± 0.003 Å
• c: 17.707 ± 0.004 Å
• α: 90°
• β: 93.616 ± 0.007°
• γ: 90°
• Cell volume: 2626.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No