Information card for entry 7031518

Structure parameters

• Formula: C36 H50 N6 O2 Zn2
• Calculated formula: C36 H50 N6 O2 Zn2
• SMILES: [Zn@@]12([n]3c(n4[n]([Zn]56([n]7c(n8[n]5c(cc8C)C)cccc7C=C([O]16)C(C)(C)C)CC)c(cc4C)C)cccc3C=C(O2)C(C)(C)C)CC
• Title of publication: Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide.
• Authors of publication: Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14470 - 14480
• a: 12.1185 ± 0.0011 Å
• b: 12.1185 ± 0.0011 Å
• c: 24.9106 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No