Information card for entry 4324299

Structure parameters

• Formula: C17 H20 Cl2 N4 O Zn
• Calculated formula: C17 H20 Cl2 N4 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2n(C(n3[n]1c(cc3C)C)c1c(O)cccc1)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: 9.1544 ± 0.0008 Å
• b: 14.4953 ± 0.0013 Å
• c: 15.0072 ± 0.0014 Å
• α: 90°
• β: 103.606 ± 0.004°
• γ: 90°
• Cell volume: 1935.5 ± 0.3 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: 0.0815
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No