Information card for entry 2220899

Structure parameters

• Chemical name: Tetrakis(2,2'-bipyridyl)dichloridodi-μ~3~-hydroxido-di-μ~2~-hydroxido- tetracopper(II) dinitrate hexahydrate
• Formula: C40 H48 Cl2 Cu4 N10 O16
• Calculated formula: C40 H48 Cl2 Cu4 N10 O16
• SMILES: c12cccc[n]2[Cu]2([n]3c1cccc3)([OH]1[Cu]3([n]4c(c5[n]3cccc5)cccc4)([OH]2)[OH]2[Cu]3([n]4c(cccc4)c4cccc[n]34)([OH][Cu]312[n]1c(c2[n]3cccc2)cccc1)Cl)Cl.N(=O)(=O)[O-].O.O.O.N(=O)(=O)[O-].O.O.O
• Title of publication: Tetrakis(2,2'-bipyridyl)dichloridodi-μ~3~-hydroxido-di-μ~2~-hydroxido-tetracopper(II) dinitrate hexahydrate
• Authors of publication: Fan, Ying; Cui, Yong-Tao; Qian, Hui-Fen; Liu, Jian-Lan; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m131 - m132
• a: 9.389 ± 0.003 Å
• b: 10.622 ± 0.003 Å
• c: 12.95 ± 0.004 Å
• α: 86.909 ± 0.004°
• β: 77.263 ± 0.003°
• γ: 72.512 ± 0.004°
• Cell volume: 1201.4 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes