Information card for entry 7006586

Structure parameters

• Formula: C44 H52 Cl2 Cu2 N9 O16
• Calculated formula: C43.5 H53 Cl2 Cu2 N9 O15.5
• Title of publication: Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.
• Authors of publication: Mukherjee, Jhumpa; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 13
• Pages of publication: 1611 - 1621
• a: 11.234 ± 0.005 Å
• b: 23.253 ± 0.005 Å
• c: 19.581 ± 0.005 Å
• α: 90°
• β: 98.723 ± 0.005°
• γ: 90°
• Cell volume: 5056 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No