Information card for entry 7021789

Structure parameters

• Formula: C15 H19 N3 O4 Zn
• Calculated formula: C15 H19 N3 O4 Zn
• SMILES: Cc1cc(C)[n]2[Zn](OC(=O)C)(OC(=O)C)[n]3c(Cn12)cccc3
• 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: 14.7323 ± 0.001 Å
• b: 8.1094 ± 0.0005 Å
• c: 13.5844 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1622.93 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No