Information card for entry 2208140

Structure parameters

• Chemical name: Aquabis(1-formyl-2-naphtholato-κ^2^O,O')copper(II)
• Formula: C22 H16 Cu O5
• Calculated formula: C22 H16 Cu O5
• SMILES: [Cu]12(Oc3ccc4ccccc4c3C=[O]1)([O]=Cc1c(ccc3ccccc13)O2)[OH2]
• Title of publication: Aquabis(1-formyl-2-naphtholato-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Authors of publication: Yu, Qing; Li, Chun-Ying; Yang, Xiao-E; Bian He-Dong; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m391 - m393
• a: 9.037 ± 0.004 Å
• b: 5.59 ± 0.003 Å
• c: 17.484 ± 0.008 Å
• α: 90°
• β: 90.248 ± 0.008°
• γ: 90°
• Cell volume: 883.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes