Information card for entry 7027738

Structure parameters

• Formula: C23 H19 Cl2 Cu N5 O
• Calculated formula: C23 H19 Cl2 Cu N5 O
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3C(c3ccccn3)=[N]2C(c2[n]1cccc2)(c1ccccn1)OC
• Title of publication: Synthesis, characterization and crystal structures of copper(II) complexes containing multidentate polypyridine ligands †
• Authors of publication: Hemmert, Catherine; Renz, Michael; Gornitzka, Heinz; Meunier, Bernard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 3989
• a: 8.184 ± 0.001 Å
• b: 17.278 ± 0.002 Å
• c: 15.242 ± 0.002 Å
• α: 90°
• β: 90.61 ± 0.02°
• γ: 90°
• Cell volume: 2155.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No