Information card for entry 1502786

Structure parameters

• Formula: C49 H86 Co2 N4 O9
• Calculated formula: C49 H86 Co2 N4 O9
• SMILES: [Co]1234([O]5[Co]67([O]3c3c8C[NH]2CC(C[NH]1Cc1c5c(C[NH]7CC(C[NH]6Cc3cc(c8)C(C)(C)C)(C)C)cc(c1)C(C)(C)C)(C)C)([O]=C(O4)C)OC(=O)C)OC(=O)C.O.CCCCCC.CCCCCC.CCCCCC
• Title of publication: Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure
• Authors of publication: Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K.
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2291
• a: 40.1077 ± 0.0018 Å
• b: 11.9548 ± 0.0003 Å
• c: 27.7661 ± 0.0012 Å
• α: 90°
• β: 128.183 ± 0.007°
• γ: 90°
• Cell volume: 10464.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No