Information card for entry 7056758

Structure parameters

• Formula: C16 H20 Cl4 Cu2 N4 O2
• Calculated formula: C16 H20 Cl4 Cu2 N4 O2
• SMILES: c1cccc2C=[N]([Cu]3([n]12)([Cl][Cu]1([n]2ccccc2C=[N]1CCO)([Cl]3)Cl)Cl)CCO
• Title of publication: Effects of appended hydroxyl groups and ligand chain length on copper coordination and oxidation activity
• Authors of publication: Jehdaramarn, Attawit; Pornsuwan, Soraya; Chumsaeng, Phongnarin; Phomphrai, Khamphee; Sangtrirutnugul, Preeyanuch
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 654
• a: 7.087 ± 0.003 Å
• b: 8.894 ± 0.003 Å
• c: 16.147 ± 0.006 Å
• α: 90°
• β: 101.284 ± 0.013°
• γ: 90°
• Cell volume: 998.1 ± 0.7 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No