Information card for entry 7023755

Structure parameters

• Formula: C64 H90 Cu8 N16 O49
• Calculated formula: C64 H64 Cu8 N16 O49
• 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: 15.5074 ± 0.001 Å
• b: 15.5074 ± 0.001 Å
• c: 19.892 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4783.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No