Information card for entry 7715934

Structure parameters

• Formula: C35 H32 Cu F3 N4 O3 S
• Calculated formula: C35 H32 Cu F3 N4 O3 S
• SMILES: [Cu]1234([N](N5c6ccccc6[CH]1=[CH]2c1ccccc51)=C(C)C)[N](N1c2ccccc2[CH]3=[CH]4c2ccccc12)=C(C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 12.422 ± 0.0006 Å
• b: 13.8004 ± 0.0006 Å
• c: 18.5331 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3177.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No