Information card for entry 4000890

Structure parameters

• Formula: C60 H78 Cl2 Co7 N6 O26
• Calculated formula: C60 H78 Cl2 Co7 N6 O26
• SMILES: [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C[N]1=Cc2cccc3c2[O]2[Co]4561[O](C)c1c7[O]4[Co]489([O]6(C)[Co]6%10%11%12[O]5([Co]5%132([O]%12([Co]2%12%14([O]6([Co]6%15%16([O]%10([Co]%10%17([O]9%11C)([O]8c8c([O]4C)cccc8C=[N]%10C)[O](C)c4c([O]6%17)c(C=[N]%15C)ccc4)C)[O](C)c4c([O]2%16)c(C=[N]%12C)ccc4)C)[O]5c2c([O]%14C)cccc2C=[N]%13C)C)[O]3C)C)[N](=Cc7ccc1)C
• Title of publication: Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties
• Authors of publication: Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 14
• Pages of publication: 4295
• a: 14.2295 ± 0.0001 Å
• b: 14.2295 ± 0.0001 Å
• c: 23.5443 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4128.53 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No