Information card for entry 4341915

Structure parameters

• Formula: C46 H46 N8 Zn
• Calculated formula: C46 H46 N8 Zn
• SMILES: c1(ccccc1)[N]1=NC(c2ccc(cc2)C)=NN(c2c(C)cc(cc2C)C)[Zn]21[N](c1ccccc1)=NC(c1ccc(cc1)C)=NN2c1c(cc(cc1C)C)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: 17.9988 ± 0.0006 Å
• b: 11.4774 ± 0.0005 Å
• c: 19.3454 ± 0.0005 Å
• α: 90°
• β: 96.906 ± 0.001°
• γ: 90°
• Cell volume: 3967.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No