Information card for entry 7037798

Structure parameters

• Formula: Cu3 H4 O8 S
• Calculated formula: Cu3 H4 O8 S
• SMILES: [Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].S(=O)(=O)([O-])[O-]
• Title of publication: A novel 3D Cu(i) coordination polymer based on Cu6Br2 and Cu2(CN)2 SBUs: in situ ligand formation and use as a naked-eye colorimetric sensor for NB and 2-NT.
• Authors of publication: Song, Jiang-Feng; Li, Yang; Zhou, Rui-Sha; Hu, Tuo-Ping; Wen, Yan-Liang; Shao, Jia; Cui, Xiao-Bing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 545 - 551
• a: 8.2583 ± 0.0004 Å
• b: 6.0512 ± 0.0003 Å
• c: 12.0063 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 599.99 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No