Information card for entry 7056695

Structure parameters

• Formula: C30 H74 Co7 N12 O22 S6
• Calculated formula: C30 H54 Co7 N12 O12 S6
• SMILES: CC12C[O]34[Co]5678[O]9%10CC%11(C)C[O]%12[Co]39([NH2]2)([NH2]%11)[O](C1)[Co]1%10(N=C=S)(N=C=S)[O]2CC3(C)[NH2][Co]9%10%112[O]5(C3)[Co]2(N=C=S)(N=C=S)([O]3CC5(C)C[O]%136[Co]4%12(N=C=S)(N=C=S)[O]4CC6(C)C[O]72[Co]3%134([NH2]5)[NH2]6)[O]%11CC(C)([NH2]9)C[O]81%10
• Title of publication: A disc like Co7 cluster with solvent dependent catecholase activity
• Authors of publication: Ahamad, M. Naqi; Sama, Farasha; Akhtar, Muhammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Ahmad, Musheer; Shahid, M.; Hussain, Sahid; Khan, Kulsum
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 14057 - 14061
• a: 22.4034 ± 0.0016 Å
• b: 14.9191 ± 0.0016 Å
• c: 20.435 ± 0.002 Å
• α: 90°
• β: 113.618 ± 0.004°
• γ: 90°
• Cell volume: 6258 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1268
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No