Information card for entry 7007723

Structure parameters

• Common name: Dinitrato(dibromoterpyrdine)copper(ii)
• Formula: C15 H9 Br2 Cu N5 O6
• Calculated formula: C15 H9 Br2 Cu N5 O6
• SMILES: [Cu]1234(ON(=[O]1)=O)(ON(=[O]2)=O)[n]1c(Br)cccc1c1[n]3c(ccc1)c1[n]4c(Br)ccc1
• Title of publication: Tuning the gas phase redox properties of copper(II) ternary complexes of terpyridines to control the formation of nucleobase radical cations.
• Authors of publication: Lam, Adrian K. Y.; Abrahams, Brendan F.; Grannas, Martin J.; McFadyen, W. David; O'Hair, Richard A J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 42
• Pages of publication: 5051 - 5061
• a: 7.55 ± 0.002 Å
• b: 17.238 ± 0.005 Å
• c: 14.203 ± 0.004 Å
• α: 90°
• β: 102.687 ± 0.006°
• γ: 90°
• Cell volume: 1803.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0781
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No