Information card for entry 4341919

Structure parameters

• Formula: C52 H58 N8 Zn
• Calculated formula: C52 H58 N8 Zn
• SMILES: [Zn]12([N](=NC(=NN1c1c(C)cc(C)cc1C)c1ccc(C)cc1)c1c(C)cc(C)cc1C)[N](=NC(=NN2c1c(cc(cc1C)C)C)c1ccc(C)cc1)c1c(C)cc(cc1C)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: 11.1353 ± 0.0006 Å
• b: 12.0886 ± 0.0007 Å
• c: 17.9233 ± 0.0009 Å
• α: 75.379 ± 0.002°
• β: 87.426 ± 0.002°
• γ: 76.677 ± 0.002°
• Cell volume: 2271.5 ± 0.2 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: 0.0612
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No