Information card for entry 2219319

Structure parameters

• Chemical name: Di-μ-bromido-bis[bromido(di-2-pyridylmethanediol-κ^2^N,N')copper(II)] dihydrate
• Formula: C22 H24 Br4 Cu2 N4 O6
• Calculated formula: C22 H24 Br4 Cu2 N4 O6
• SMILES: c1cccc2C3(c4[n]([Cu]([n]12)([OH]3)(Br)Br)cccc4)O.O
• Title of publication: Di-μ-bromido-bis[bromido(di-2-pyridylmethanediol-κ^2^<i>N</i>,<i>N</i>')copper(II)] dihydrate
• Authors of publication: Westcott, Barry L.; Kopp-Vaughn, Kristin M.; Daniels, Lee M.; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1122 - m1123
• a: 21.2685 ± 0.0007 Å
• b: 9.1275 ± 0.0003 Å
• c: 14.4731 ± 0.0004 Å
• α: 90°
• β: 100.749 ± 0.002°
• γ: 90°
• Cell volume: 2760.34 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes