Information card for entry 7036859

Structure parameters

• Formula: C32 H35 Li N2 O2
• Calculated formula: C32 H35 Li N2 O2
• SMILES: c1ccc2C=[N](C(c3ccccc3)(c3ccccc3)c3ccccc3)[Li](n12)([O]1CCCC1)[O]1CCCC1
• Title of publication: Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.
• Authors of publication: Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19865 - 19879
• a: 16.5703 ± 0.0005 Å
• b: 16.4159 ± 0.0007 Å
• c: 39.7779 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10820.2 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No