Information card for entry 7027734

Structure parameters

• Formula: C22 H19 Cl2 Cu N5
• Calculated formula: C22 H19 Cl2 Cu N5
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3[C@@H]([NH]2[C@@H](c2[n]1cccc2)c1ncccc1)c1ncccc1
• 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: 8.374 ± 0.001 Å
• b: 21.546 ± 0.003 Å
• c: 11.939 ± 0.002 Å
• α: 90°
• β: 92.98 ± 0.02°
• γ: 90°
• Cell volume: 2151.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.086
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No