Information card for entry 4304566

Structure parameters

• Formula: C30 H30 Cu3 N10 O17
• Calculated formula: C30 H30 Cu3 N10 O17
• SMILES: [Cu]12(Oc3ncc[n]4[Cu]5([O]=C(c34)O1)([O]=C1c3[n]5ccnc3O[Cu]3(O1)([OH2])[n]1ccccc1c1cccc[n]31)([OH2])[OH2])([OH2])[n]1ccccc1c1cccc[n]21.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Hydrothermal In Situ Synthesis and Characterization of Cu(II) Complexes
• Authors of publication: Danfeng Weng; Weihua Mu; Xiangjun Zheng; Decai Fang; Linpei Jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1249 - 1251
• a: 22.114 ± 0.004 Å
• b: 16.83 ± 0.003 Å
• c: 10.4238 ± 0.0018 Å
• α: 90°
• β: 105.035 ± 0.003°
• γ: 90°
• Cell volume: 3746.7 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No