Information card for entry 7023948

Structure parameters

• Formula: C70 H72 F2 N4 O6 Zn
• Calculated formula: C70 H72 F2 N4 O6 Zn
• SMILES: [Zn]1234(N(c5ccc6ccccc6c5c5c([NH2]1)ccc1ccccc51)c1ccc(cc1[O]3C)F)N(c1ccc3ccccc3c1c1c([NH2]2)ccc2ccccc12)c1ccc(cc1[O]4C)F.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: 15.7664 ± 0.0007 Å
• b: 15.7481 ± 0.0007 Å
• c: 24.683 ± 0.0011 Å
• α: 90°
• β: 100.502 ± 0.0007°
• γ: 90°
• Cell volume: 6025.9 ± 0.5 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• 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: 0.0831
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No