Information card for entry 4084956

Structure parameters

• Formula: C76 H90 Cl12 N16 O7 Ti2
• Calculated formula: C76 H90 Cl12 N16 O7 Ti2
• SMILES: c12c(cc(cc2n2nc3ccccc3n2)C)C[N]23Cc4c(O[Ti]3([N](CC2)(C)C)(O1)(OC(C)C)O[Ti]123([N](Cc5c(c(cc(c5)C)n5nc6ccccc6n5)O2)(Cc2c(O3)c(n3nc5ccccc5n3)cc(c2)C)CC[N]1(C)C)OC(C)C)c(n1nc2ccccc2n1)cc(c4)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide
• Authors of publication: Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7091
• a: 22.0223 ± 0.0006 Å
• b: 18.0893 ± 0.0005 Å
• c: 23.1113 ± 0.0006 Å
• α: 90°
• β: 112.054 ± 0.002°
• γ: 90°
• Cell volume: 8533.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1433
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No