Information card for entry 4106417

Structure parameters

• Formula: C47 H57 Cl N2 O3 Sn
• Calculated formula: C47 H57 Cl N2 O3 Sn
• SMILES: [Sn]123(Oc4c(cc(cc4c4ccc([n]14)=C(c1ccccc1)c1ccc(n21)c1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(Cl)[O]1CCCC1
• 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: 9.453 ± 0.004 Å
• b: 18.891 ± 0.009 Å
• c: 25.813 ± 0.012 Å
• α: 90°
• β: 96.559 ± 0.009°
• γ: 90°
• Cell volume: 4579 ± 4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.2085
• Residual factor for significantly intense reflections: 0.1637
• Weighted residual factors for significantly intense reflections: 0.3702
• Weighted residual factors for all reflections included in the refinement: 0.4006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No