Information card for entry 4304568

Structure parameters

• Formula: C34 H28 Cu3 N8 O16
• Calculated formula: C34 H28 Cu3 N8 O16
• SMILES: c12c3cccc[n]3[Cu]3([n]1cccc2)([O]=C1C(=[O][Cu]2([n]4c(c5cccc[n]25)cccc4)(O1)[OH2])O3)[OH2].[n]12ccccc1c1[n]([Cu]32OC(=O)C(=O)O3)cccc1.N(=O)(=O)[O-].N(=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: 21.753 ± 0.006 Å
• b: 10.443 ± 0.003 Å
• c: 16.037 ± 0.004 Å
• α: 90°
• β: 95.538 ± 0.004°
• γ: 90°
• Cell volume: 3626.1 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No