Information card for entry 2231364

Structure parameters

• Chemical name: Tetrakis[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene- κ^2^<i>N</i>:<i>N</i>']tetrakis(μ-methanolato-κ^2^<i>O</i>:<i>O</i>)bis(μ- perchlorato-κ^2^<i>O</i>:<i>O</i>')tetracopper(II) bis(perchlorate)
• Formula: C52 H60 Cl4 Cu4 N8 O28
• Calculated formula: C52 H60 Cl4 Cu4 N8 O28
• SMILES: C12c3ccc(cc3)C3=[N](CCO3)[Cu]345([N]6=C(OCC6)c6ccc(C7=[N](CCO7)[Cu]78([N]=1CCO2)[O](C)[Cu]1([O]7C)(OCl(=[O]8)(=O)=O)[N]2=C(c7ccc(C8=[N](CCO8)[Cu]([N]8=C(OCC8)c8ccc(cc8)C8=[N]1CCO8)([O]3C)[O]4C)cc7)OCC2)cc6)OCl(=[O]5)(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Tetrakis[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']tetrakis(μ-methanolato-κ^2^<i>O</i>:<i>O</i>)bis(μ-perchlorato-κ^2^<i>O</i>:<i>O</i>')tetracopper(II) bis(perchlorate)
• Authors of publication: Yeh, Chun-Wei; Huang, Fu-Chang; Jong, Ay; Suen, Maw-Cherng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1080 - m1081
• a: 8.3508 ± 0.0008 Å
• b: 16.982 ± 0.0018 Å
• c: 22.337 ± 0.002 Å
• α: 90°
• β: 93.936 ± 0.002°
• γ: 90°
• Cell volume: 3160.2 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes