Information card for entry 4324297

Structure parameters

• Formula: C21 H26 Cl2 Cu N4 O2
• Calculated formula: C21 H26 Cl2 Cu N4 O2
• SMILES: [Cu]1(Cl)(Cl)[n]2n(C(n3[n]1c(cc3C)C)C1=CC(=O)C=C(C1=O)C(C)(C)C)c(cc2C)C
• Title of publication: Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection
• Authors of publication: Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 900 - 910
• a: 9.4281 ± 0.0003 Å
• b: 18.9355 ± 0.0007 Å
• c: 13.3689 ± 0.0005 Å
• α: 90°
• β: 91.056 ± 0.002°
• γ: 90°
• Cell volume: 2386.29 ± 0.15 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No