Information card for entry 7035493

Structure parameters

• Formula: C40 H54 N2 O2 Zn2
• Calculated formula: C40 H54 N2 O2 Zn2
• SMILES: [Zn]12([O](c3c(ccc4c3cccc4)C[N]1(C)C1CCCCC1)[Zn]1([O]2c2c(ccc3c2cccc3)C[N]1(C)C1CCCCC1)CC)CC
• 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: 15.727 ± 0.009 Å
• b: 13.996 ± 0.007 Å
• c: 15.894 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3499 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No