Information card for entry 2219318

Structure parameters

• Chemical name: <i>catena</i>-Poly[[μ-bromido-(μ-hydroxydi-2-pyridylmethanolato- κ^4^N,O:O,N')dicopper(II)(Cu—Cu)]-di-μ-bromido]
• Formula: C11 H9 Br3 Cu2 N2 O2
• Calculated formula: C11 H9 Br3 Cu2 N2 O2
• SMILES: [Br]1[Cu]23([n]5ccccc5C5(c6cccc[n]6[Cu]1([O]25)Br)O)[Br][Cu]12([n]5ccccc5C5(c6cccc[n]6[Cu]([O]15)([Br]2)Br)O)[Br]3
• Title of publication: <i>catena</i>-Poly[[μ-bromido-(μ-hydroxydi-2-pyridylmethanolato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>,<i>N</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-di-μ-bromido]
• Authors of publication: Zeller, Matthias; Westcott, Barry L.; Kopp-Vaughn, Kristin M.; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1121
• a: 8.7708 ± 0.0007 Å
• b: 9.6018 ± 0.0008 Å
• c: 10.1839 ± 0.0008 Å
• α: 73.706 ± 0.001°
• β: 70.852 ± 0.001°
• γ: 63.928 ± 0.001°
• Cell volume: 718.28 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes