Information card for entry 4341918

Structure parameters

• Formula: C46 H36 F10 N8 Zn
• Calculated formula: C46 H36 F10 N8 Zn
• SMILES: [Zn]12(N(N=C([N]1=Nc1c(cc(cc1C)C)C)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1F)[N](=NC(=NN2c1c(cc(cc1C)C)C)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1F
• 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: 11.1564 ± 0.0004 Å
• b: 16.0507 ± 0.0005 Å
• c: 24.0955 ± 0.001 Å
• α: 90°
• β: 101.165 ± 0.003°
• γ: 90°
• Cell volume: 4233.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No