Information card for entry 4106416

Structure parameters

• Formula: C43 H49 Cl Ge N2 O2
• Calculated formula: C43 H49 Cl Ge N2 O2
• SMILES: c1(cc(cc2c1O[Ge]13([n]4c2ccc4=C(c2ccccc2)c2ccc(n12)c1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)Cl)C(C)(C)C)C(C)(C)C
• Title of publication: Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide
• Authors of publication: Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10720 - 10723
• a: 14.9342 ± 0.0018 Å
• b: 21.214 ± 0.003 Å
• c: 23.28 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7375.4 ± 1.7 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 6
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No