Information card for entry 7012028

Structure parameters

• Formula: C24 H20 Cl4 Cu2 N8
• Calculated formula: C24 H20 Cl4 Cu2 N8
• SMILES: Cl[Cu]12([n]3n(Cc4cccc[n]24)c2ccccc2[n]3[Cu]2([n]3n(Cc4cccc[n]24)c2ccccc2[n]13)(Cl)Cl)Cl
• 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: 8.39 ± 0.002 Å
• b: 21.467 ± 0.006 Å
• c: 8.328 ± 0.002 Å
• α: 90°
• β: 119.217 ± 0.008°
• γ: 90°
• Cell volume: 1309.1 ± 0.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0248
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No