Information card for entry 7021790

Structure parameters

• Formula: C50 H46 Cu2 N6 O8
• Calculated formula: C50 H46 Cu2 N6 O8
• SMILES: c1(c2ccccc2)cc(c2ccccc2)nn1Cc1[n](cccc1)[Cu]1234[O]=C(C)O[Cu]4([n]4c(Cn5c(cc(c6ccccc6)n5)c5ccccc5)cccc4)([O]=C(O1)C)(OC(=[O]3)C)[O]=C(O2)C
• Title of publication: Structural and kinetic studies of the polymerization reactions of ε-caprolactone catalyzed by (pyrazol-1-ylmethyl)pyridine Cu(ii) and Zn(ii) complexes.
• Authors of publication: Ojwach, Stephen O.; Okemwa, Teddy T.; Attandoh, Nelson W.; Omondi, Bernard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10735 - 10745
• a: 9.6202 ± 0.0003 Å
• b: 10.6016 ± 0.0003 Å
• c: 11.7735 ± 0.0003 Å
• α: 72.88 ± 0.001°
• β: 75.393 ± 0.001°
• γ: 78.193 ± 0.001°
• Cell volume: 1099.39 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No