Information card for entry 1515015

Structure parameters

• Formula: C45.5 H73 Cl11 Co2 N6 O2
• Calculated formula: C45.5 H73 Cl11 Co2 N6 O2
• SMILES: [Co]1234([O]5[Co]67([Cl]1)(Cl)[O]2c1c2C[NH]3CC(C[NH]4Cc3c5c(C[NH]7CC(C[NH]6Cc1cc(c2)C(C)(C)C)(C)C)cc(c3)C(C)(C)C)(C)C)[n]1ccc(cc1)N(C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?
• Authors of publication: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1245
• a: 35.3728 ± 0.0013 Å
• b: 20.4934 ± 0.0004 Å
• c: 19.9836 ± 0.0006 Å
• α: 90°
• β: 124.046 ± 0.005°
• γ: 90°
• Cell volume: 12003.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No