Information card for entry 4084957

Structure parameters

• Formula: C83 H94 N16 O7 Ti2
• Calculated formula: C83 H94 N16 O7 Ti2
• SMILES: [Ti]123(Oc4c(n5nc6ccccc6n5)cc(cc4C[N]2(Cc2c(O1)c(n1nc4ccccc4n1)cc(c2)C)CC[N]13CCCCC1)C)(OC(C)C)O[Ti]123(Oc4c(n5nc6ccccc6n5)cc(cc4C[N]2(Cc2c(O1)c(n1nc4ccccc4n1)cc(c2)C)CC[N]13CCCCC1)C)OC(C)C.Cc1ccccc1
• 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: 21.333 ± 0.0005 Å
• b: 24.6786 ± 0.0005 Å
• c: 29.4375 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15497.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No