Information card for entry 7022589

Structure parameters

• Formula: C40 H56 Co4 O20
• Calculated formula: C40 H56 Co4 O20
• SMILES: COc1cccc2C=[O][Co]34(Oc12)([O]1(C)[Co]25([O]=Cc6cccc(c6O2)OC)([O]3(C)[Co]23(Oc6c(C=[O]2)cccc6OC)([O]4(C)[Co]21(Oc1c(C=[O]2)cccc1OC)([O]53C)[OH]C)[OH]C)[OH]C)[OH]C
• Title of publication: Microwave and traditional solvothermal syntheses, crystal structures, mass spectrometry and magnetic properties of Co(II)4O4 cubes.
• Authors of publication: Zhang, Kun; Dai, Jun; Wang, Yun-Hong; Zeng, Ming-Hua; Kurmoo, Mohamedally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5439 - 5446
• a: 22.4649 ± 0.0017 Å
• b: 22.4649 ± 0.0017 Å
• c: 9.7584 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4924.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No