Information card for entry 7715938

Structure parameters

• Formula: C40 H30 N3 P
• Calculated formula: C40 H30 N3 P
• SMILES: P(=NN1c2ccccc2C=Cc2ccccc12)(N1c2ccccc2C=Cc2ccccc12)(c1ccccc1)c1ccccc1
• 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: 8.7777 ± 0.0009 Å
• b: 10.3537 ± 0.001 Å
• c: 16.8562 ± 0.0017 Å
• α: 82.729 ± 0.002°
• β: 80.357 ± 0.002°
• γ: 87.825 ± 0.002°
• Cell volume: 1497.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1069
• 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