Information card for entry 7200423

Structure parameters

• Formula: C40 H56 Co4 O20
• Calculated formula: C40 H56 Co4 O20
• SMILES: [O]1c2c(C=[O][Co]341([O]1(C)[Co]56([O]=Cc7cccc(c7O5)OC)([O]3(C)[Co]35(Oc7c(C=[O]3)cccc7OC)([O]6(C)[Co]31(Oc1c(C=[O]3)cccc1OC)([O]45C)[OH]C)[OH]C)[OH]C)[OH]C)cccc2OC
• Title of publication: Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster
• Authors of publication: Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 865 - 872
• a: 22.1046 ± 0.0016 Å
• b: 22.1046 ± 0.0016 Å
• c: 9.7539 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4765.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No