Information card for entry 4341917

Structure parameters

• Formula: C35.5 H22 F10 N4 Zn
• Calculated formula: C35.5 H22 F10 N4 Zn
• SMILES: [Zn]1([N](=NC(=[N]1Nc1ccccc1)c1ccc(cc1)C)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1(ccccc1)C
• Title of publication: Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.
• Authors of publication: Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 379 - 388
• a: 10.8546 ± 0.0003 Å
• b: 10.9884 ± 0.0003 Å
• c: 13.7821 ± 0.0004 Å
• α: 82.9604 ± 0.0007°
• β: 85.6641 ± 0.0008°
• γ: 78.0685 ± 0.0007°
• Cell volume: 1594.08 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No