Information card for entry 7028994

Structure parameters

• Formula: C27 H35 N3 O
• Calculated formula: C27 H35 N3 O
• SMILES: N(Cc1ccccn1)(Cc1ccccn1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
• 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: 10.052 ± 0.002 Å
• b: 24.616 ± 0.006 Å
• c: 10.268 ± 0.002 Å
• α: 90°
• β: 110.971 ± 0.012°
• γ: 90°
• Cell volume: 2372.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.107
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No