Information card for entry 7028991

Structure parameters

• Formula: C39 H35 N3 O
• Calculated formula: C39 H35 N3 O
• SMILES: C(c1cc(cc(c1O)CN(Cc1ccccn1)Cc1ccccn1)C)(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: 10.9042 ± 0.0006 Å
• b: 13.0721 ± 0.0006 Å
• c: 14.7332 ± 0.0007 Å
• α: 112.417 ± 0.002°
• β: 91.203 ± 0.002°
• γ: 104.786 ± 0.002°
• Cell volume: 1860.58 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No