Information card for entry 2205418

Structure parameters

• Chemical name: Bis(3-bromo-1-oxidoanthraquinone-κO^1^,O^9^)bis(pyridine-κN)zinc(II)
• Formula: C38 H22 Br2 N2 O6 Zn
• Calculated formula: C38 H22 Br2 N2 O6 Zn
• SMILES: c1(cc2c3c(c1)O[Zn]1([n]4ccccc4)([n]4ccccc4)(Oc4c5c(cc(c4)Br)C(=O)c4ccccc4C5=[O]1)[O]=C3c1c(C2=O)cccc1)Br
• Title of publication: Bis(3-bromo-1-oxidoanthraquinone-κ^2^<i>O</i>^1^,<i>O</i>^9^)bis(pyridine-κ<i>N</i>)zinc(II)
• Authors of publication: Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Koushik, Saha; Hj. Lajis, Nordin; Basirun, Wan Jefri; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m691 - m692
• a: 8.0912 ± 0.0006 Å
• b: 9.6445 ± 0.0007 Å
• c: 11.3013 ± 0.0008 Å
• α: 105.477 ± 0.001°
• β: 106.119 ± 0.001°
• γ: 99.227 ± 0.001°
• Cell volume: 789.9 ± 0.1 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: 0.061
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes