Information card for entry 7014302

Structure parameters

• Formula: C60 H54 Cu6 N18 O32
• Calculated formula: C60 H54 Cu6 N18 O32
• SMILES: [n]12ccccc1c1[n]([Cu]342[OH][Cu]2([OH]3[Cu]35([n]6ccccc6c6[n]3cccc6)[OH]3[Cu]67([n]8c(c9[n]6cccc9)cccc8)[OH][Cu]6([n]8c(cccc8)c8cccc[n]68)([OH]7[Cu]63([n]3ccccc3c3[n]6cccc3)[OH]45)ON(=O)=O)(ON(=O)=O)[n]3c(cccc3)c3cccc[n]23)cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
• Title of publication: New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units.
• Authors of publication: Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 277 - 286
• a: 10.9 ± 0.002 Å
• b: 11.965 ± 0.002 Å
• c: 15.477 ± 0.003 Å
• α: 98.08 ± 0.03°
• β: 108.35 ± 0.03°
• γ: 94.36 ± 0.03°
• Cell volume: 1881.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No