Information card for entry 7005800

Structure parameters

• Formula: C50 H52 N4 O6 Zn2
• Calculated formula: C50 H52 N4 O6 Zn2
• SMILES: c12N([Zn]3([N]4=C(c2cccc1)OCC4(C)C)[O]([Zn]1(N(c2ccccc2C2=[N]1C(CO2)(C)C)c1c(cccc1)OC)[O]3Cc1ccccc1)Cc1ccccc1)c1c(cccc1)OC
• Title of publication: Zinc anilido-oxazolinate complexes as initiators for ring opening polymerization.
• Authors of publication: Chen, Chi-Tien; Chan, Chi-Yu; Huang, Chi-An; Chen, Ming-Tsz; Peng, Kuo-Fu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 36
• Pages of publication: 4073 - 4078
• a: 10.2184 ± 0.0006 Å
• b: 10.6669 ± 0.0006 Å
• c: 11.5997 ± 0.0007 Å
• α: 95.386 ± 0.001°
• β: 97.286 ± 0.001°
• γ: 115.641 ± 0.001°
• Cell volume: 1114.89 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1037
• 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