Information card for entry 7031843

Structure parameters

• Formula: C52 H106 Cu N12 O10
• Calculated formula: C52 H94 Cu N12 O10
• 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: 10.945 ± 0.002 Å
• b: 31.194 ± 0.006 Å
• c: 18.956 ± 0.004 Å
• α: 90°
• β: 100.6 ± 0.03°
• γ: 90°
• Cell volume: 6361 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No