Information card for entry 2203252

Structure parameters

• Chemical name: Diamminediaquabis(4-pyridylthioacetato)copper(II)
• Formula: C14 H22 Cu N4 O6 S2
• Calculated formula: C14 H22 Cu N4 O6 S2
• SMILES: c1cc(cc[n]1[Cu]([OH2])([n]1ccc(cc1)SCC(=O)[O-])([NH3])([NH3])[OH2])SCC(=O)[O-]
• Title of publication: Diamminediaquabis(4-pyridylthioacetato)copper(II)
• Authors of publication: Huang, Yong-Qing; Zhang, Hui; Chen, Jian-Gu; Zou, Wei; Li, Li; Wei, Zan-Bin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m133 - m134
• a: 23.263 ± 0.001 Å
• b: 7.0762 ± 0.0003 Å
• c: 11.5216 ± 0.0005 Å
• α: 90°
• β: 100.989 ± 0.001°
• γ: 90°
• Cell volume: 1861.84 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes