Information card for entry 7241633

Structure parameters

• Formula: C10 H11 Cu N O5
• Calculated formula: C10 H11 Cu N O5
• SMILES: [Cu]12(Oc3cc(OC)ccc3C=[N]2CC(=O)O1)[OH2]
• Title of publication: Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology
• Authors of publication: Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 70
• Pages of publication: 42964 - 42970
• a: 7.4851 ± 0.0004 Å
• b: 13.4109 ± 0.0007 Å
• c: 21.5161 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2159.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No