Information card for entry 7023754

Structure parameters

• Formula: C48 H60 Cu6 N12 O30
• Calculated formula: C48 H60 Cu6 N12 O30
• SMILES: [Cu]123[O](C)[Cu]4([O]1C)[n]1n([Cu]5([O](C)[Cu]6([O]5C)[n]5n([Cu]7([O](C)[Cu]([O]7C)([n]7n3c(C(=O)OC)cc7C(=O)OC)n3[n]2c(cc3C(=O)OC)C(=O)OC)n2[n]6c(cc2C(=O)OC)C(=O)OC)c(C(=O)OC)cc5C(=O)OC)n2[n]4c(cc2C(=O)OC)C(=O)OC)c(C(=O)OC)cc1C(=O)OC
• Title of publication: Polynuclear copper(ii) pyrazolate complexes: temperature-dependent protonolysis reactions, crystal structures and high catalytic activity toward the condensation of nitriles with 2-aminoalcohol.
• Authors of publication: Wang, Ling; Guo, Bin; Li, Hong-Xi; Li, Qi; Li, Hai-Yan; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15570 - 15580
• a: 15.722 ± 0.003 Å
• b: 16.304 ± 0.003 Å
• c: 16.721 ± 0.003 Å
• α: 95.39 ± 0.03°
• β: 115.01 ± 0.03°
• γ: 114.83 ± 0.03°
• Cell volume: 3328 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No