Information card for entry 1557915

Structure parameters

• Formula: C55 H84 N8 Ni2 O10
• Calculated formula: C55 H84 N8 Ni2 O10
• SMILES: [Ni]1234([O]5[Ni]67([O]1c1c(n8[n]7c7ccccc7n8)cc(cc1C[NH]4CC(C[NH]2Cc1c5c(n2[n]6c4ccccc4n2)cc(c1)C(C)(C)CC(C)(C)C)(C)C)C(C)(C)CC(C)(C)C)([O]=C(O3)C)[OH]C)OC(=O)C.OC.OC.OC
• Title of publication: Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides
• Authors of publication: Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 3225 - 3236
• a: 13.3819 ± 0.0004 Å
• b: 22.5315 ± 0.0007 Å
• c: 19.0121 ± 0.0008 Å
• α: 90°
• β: 95.058 ± 0.003°
• γ: 90°
• Cell volume: 5710.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1296
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No