Information card for entry 7031844

Structure parameters

• Formula: C55 H102 Cu N10 O7
• Calculated formula: C54 H98 Cu N10 O6
• SMILES: c1(C(C)(C)C)nn(C(C(=O)O[Cu]2([OH2])([N](CC[N]2(C)C)(C)C)(OC(=O)C(n2c(cc(C(C)(C)C)n2)C(C)(C)C)n2c(cc(C(C)(C)C)n2)C(C)(C)C)[OH2])n2c(cc(C(C)(C)C)n2)C(C)(C)C)c(c1)C(C)(C)C
• Title of publication: Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.
• Authors of publication: Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14726 - 14736
• a: 31.3645 ± 0.0005 Å
• b: 10.4436 ± 0.0002 Å
• c: 18.7587 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6144.57 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No