Information card for entry 7012026

Structure parameters

• Formula: C24 H24 Cu N10 O8
• Calculated formula: C24 H24 Cu N10 O8
• SMILES: c1cccc2n3[n](nc12)[Cu]1([OH]C)([n]2n(c4cccc[n]14)c1ccccc1n2)([n]1c3cccc1)[OH]C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Benzotriazole as a structural component in chelating and bridging heterocyclic ligands; ruthenium, palladium, copper and silver complexes
• Authors of publication: Richardson, Chris; Steel, Peter J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 992
• a: 7.72 ± 0.001 Å
• b: 12.016 ± 0.001 Å
• c: 14.921 ± 0.002 Å
• α: 90°
• β: 103.14 ± 0.01°
• γ: 90°
• Cell volume: 1347.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No