Information card for entry 4345058

Structure parameters

• Formula: C23 H39 Cl2 Ga N2 O
• Calculated formula: C23 H39 Cl2 Ga N2 O
• SMILES: [Ga]12(Cl)(Cl)Oc3c(cc(C(C)(C)C)cc3C[NH]1[C@@H]1CCCC[C@H]1[N]2(C)C)C(C)(C)C.[Ga]12(Cl)(Cl)Oc3c(cc(C(C)(C)C)cc3C[NH]1[C@H]1CCCC[C@@H]1[N]2(C)C)C(C)(C)C
• Title of publication: A Comparison of Gallium and Indium Alkoxide Complexes as Catalysts for Ring-Opening Polymerization of Lactide.
• Authors of publication: Kremer, Alexandre B.; Andrews, Ryan J.; Milner, Matthew J.; Zhang, Xu R.; Ebrahimi, Tannaz; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1375 - 1385
• a: 10.4391 ± 0.001 Å
• b: 17.9407 ± 0.0016 Å
• c: 12.9885 ± 0.0012 Å
• α: 90°
• β: 92.392 ± 0.002°
• γ: 90°
• Cell volume: 2430.4 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No