Information card for entry 7012025

Structure parameters

• Formula: C13 H10 Cl2 Cu N6
• Calculated formula: C13 H10 Cl2 Cu N6
• 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: 8.554 ± 0.001 Å
• b: 9.25 ± 0.001 Å
• c: 10.322 ± 0.001 Å
• α: 88.79 ± 0.01°
• β: 72.78 ± 0.01°
• γ: 65.83 ± 0.01°
• Cell volume: 707.01 ± 0.15 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: 0.0495
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No