Information card for entry 7012027

Structure parameters

• Formula: C44 H32 Cl4 Cu2 N16
• Calculated formula: C44 H32 Cl4 Cu2 N16
• SMILES: c1cccc2n(n[n]([Cu]3([Cl][Cu]([Cl]3)(Cl)([n]3nn(c4ccccn4)c4ccccc34)[n]3nn(c4ccccn4)c4ccccc34)(Cl)[n]3nn(c4ccccn4)c4c3cccc4)c12)c1ccccn1
• 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: 10.161 ± 0.003 Å
• b: 10.464 ± 0.003 Å
• c: 11.13 ± 0.003 Å
• α: 103.268 ± 0.003°
• β: 107.246 ± 0.003°
• γ: 91.123 ± 0.003°
• Cell volume: 1095.1 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No