Information card for entry 7044155

Structure parameters

• Formula: C31 H41 Cl4 Ga N2 O2
• Calculated formula: C31 H41 Cl4 Ga N2 O2
• SMILES: c12c(cc(cc1C=[N]1[C@@H]3CCCC[C@H]3[N]3=Cc4c(c(cc(c4)C)C(C)(C)C)O[Ga]13(O2)Cl)C)C(C)(C)C.C(Cl)(Cl)Cl.c12c(cc(cc1C=[N]1[C@H]3CCCC[C@@H]3[N]3=Cc4c(c(cc(c4)C)C(C)(C)C)O[Ga]13(O2)Cl)C)C(C)(C)C.C(Cl)(Cl)Cl
• Title of publication: Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide
• Authors of publication: SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.015 ± 0.0007 Å
• b: 12.1751 ± 0.0007 Å
• c: 13.6371 ± 0.0008 Å
• α: 110.684 ± 0.001°
• β: 93.933 ± 0.001°
• γ: 115.863 ± 0.001°
• Cell volume: 1619.56 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No