Information card for entry 7715932

Structure parameters

• Formula: C51 H57 Li3 N6 Si3
• Calculated formula: C51 H57 Li3 N6 Si3
• SMILES: [Si]([N]1([Li][N]([Si](C)(C)C)([Li][N]([Si](C)(C)C)([Li]1)N1c2ccccc2C=Cc2ccccc12)N1c2ccccc2C=Cc2ccccc12)N1c2ccccc2C=Cc2ccccc12)(C)(C)C
• 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
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 8642 - 8656
• a: 11.5186 ± 0.0009 Å
• b: 19.8427 ± 0.0016 Å
• c: 21.2591 ± 0.0017 Å
• α: 90°
• β: 100.794 ± 0.002°
• γ: 90°
• Cell volume: 4773 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No