Information card for entry 7005683

Structure parameters

• Formula: C22 H29 Br2 Cu N6 O2.5
• Calculated formula: C22 H29 Br2 Cu N6 O2.5
• Title of publication: Structure and DNA cleavage properties of two copper(II) complexes of the pyridine-pyrazole-containing ligands mbpzbpy and Hmpzbpya.
• Authors of publication: Maheswari, Palanisamy Uma; Lappalainen, Kristian; Sfregola, Michael; Barends, Sharief; Gamez, Patrick; Turpeinen, Urho; Mutikainen, Ilpo; van Wezel, Gilles P.; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3676 - 3683
• a: 18.391 ± 0.003 Å
• b: 15.522 ± 0.003 Å
• c: 9.122 ± 0.0018 Å
• α: 90°
• β: 104.03 ± 0.03°
• γ: 90°
• Cell volume: 2526.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No