Information card for entry 7035492

Structure parameters

• Formula: C40 H66 N2 O2 Zn2
• Calculated formula: C40 H66 N2 O2 Zn2
• SMILES: [N]1(Cc2c(ccc(c2)C(C)(C)C)[O]2[Zn]1([O]1c3c(cc(cc3)C(C)(C)C)C[N](C)(C3CCCCC3)[Zn]21CC)CC)(C)C1CCCCC1
• Title of publication: Designing ancillary ligands for heteroleptic/homoleptic zinc complex formation: synthesis, structures and application in ROP of lactides.
• Authors of publication: Jędrzkiewicz, D; Ejfler, J.; Gulia, N.; John, Ł; Szafert, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13700 - 13715
• a: 15.827 ± 0.006 Å
• b: 12.689 ± 0.002 Å
• c: 20.032 ± 0.007 Å
• α: 90°
• β: 109.81 ± 0.03°
• γ: 90°
• Cell volume: 3785 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No