Information card for entry 7023947

Structure parameters

• Formula: C70 H74 N4 O6 Zn
• Calculated formula: C70 H74 N4 O6 Zn
• SMILES: [Zn]1234([O](c5c(N1c1ccc6ccccc6c1c1c([NH2]2)ccc2ccccc12)cccc5)C)[O](c1c(N3c2ccc3ccccc3c2c2c3ccccc3ccc2[NH2]4)cccc1)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Zinc complexes containing asymmetrical N,N,O-tridentate ligands and their application in lactide polymerization.
• Authors of publication: Gao, Bo; Duan, Ranlong; Pang, Xuan; Li, Xiang; Qu, Zhi; Shao, Huili; Wang, Xianhong; Chen, Xuesi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 46
• Pages of publication: 16334 - 16342
• a: 15.561 ± 0.0009 Å
• b: 15.8885 ± 0.0009 Å
• c: 24.3185 ± 0.0014 Å
• α: 90°
• β: 101.036 ± 0.001°
• γ: 90°
• Cell volume: 5901.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No