Information card for entry 7028995

Structure parameters

• Formula: C45 H40 Cl N3 O Zn
• Calculated formula: C45 H40 Cl N3 O Zn
• SMILES: [Zn]123(Cl)[n]4ccccc4C[N]2(Cc2[n]1cccc2)Cc1c(O3)c(cc(c1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.
• Authors of publication: Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4550 - 4564
• a: 9.1363 ± 0.0015 Å
• b: 22.025 ± 0.005 Å
• c: 19.679 ± 0.004 Å
• α: 90°
• β: 91.47 ± 0.011°
• γ: 90°
• Cell volume: 3958.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2295
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No