Information card for entry 2203296

Structure parameters

• Chemical name: Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)
• Formula: C30 H28 Cu2 N4 O12
• Calculated formula: C30 H28 Cu2 N4 O12
• SMILES: C1(C)=[O][Cu]234([O]=C(C)O[Cu]4(O1)([O]=C(C)O2)([O]=C(C)O3)[OH2])[OH2].c1cc2C(=O)c3cccnc3c2nc1.c1ccc2C(=O)c3cccnc3c2n1
• Title of publication: Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)
• Authors of publication: Zhao, Jian-She; Zhang, Rong-Lan; Yang, Shi-Yao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m264 - m266
• a: 7.4661 ± 0.0003 Å
• b: 25.951 ± 0.001 Å
• c: 8.2342 ± 0.0003 Å
• α: 90°
• β: 92.604 ± 0.001°
• γ: 90°
• Cell volume: 1593.75 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes