Information card for entry 2206245

Structure parameters

• Chemical name: Bis(3-bromo-1-oxidoanthraquinone-κ^2^<i>O</i>^1^,<i>O</i>^9^)bis(pyridine- κN)copper(II) dihydrate
• Formula: C38 H26 Br2 Cu N2 O8
• Calculated formula: C38 H26 Br2 Cu N2 O8
• SMILES: c1(cc2C(=O)c3ccccc3C3=[O][Cu]4([n]5ccccc5)([n]5ccccc5)(Oc(c1)c23)Oc1cc(cc2C(=O)c3ccccc3C(=[O]4)c12)Br)Br.O.O
• Title of publication: Bis(3-bromo-1-oxidoanthraquinone-κ^2^<i>O</i>^1^,<i>O</i>^9^)bis(pyridine-κ<i>N</i>)copper(II) dihydrate
• Authors of publication: Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Koushik, Saha; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1431 - m1432
• a: 8.8121 ± 0.0008 Å
• b: 10.0253 ± 0.0009 Å
• c: 10.172 ± 0.0009 Å
• α: 69.474 ± 0.001°
• β: 80.252 ± 0.001°
• γ: 81.477 ± 0.001°
• Cell volume: 825.58 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes