Information card for entry 4000891

Structure parameters

• Formula: C54 H60 Cl2 Co7 N24 O20
• Calculated formula: C54 H60 Cl2 Co7 N24 O20
• SMILES: [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.N#N=N12[Co]3456[N](=Cc7c8[O]5[Co]59%10(N6(=N#N)[Co]6%11%122N2(=N#N)[Co]%13%141([O]4c1c([O]3C)cccc1C=[N]%13C)[O](C)c1c3[O]%14[Co]4%132(N6(=N#N)[Co]26%14(N%12(=N#N)[Co]%12%15(N5%11=N#N)([O]%10c5c([O]%15C)cccc5C=[N]9C)[O]%14c5c([O]6C)cccc5C=[N]%12C)[O]%13c5c([O]4C)cccc5C=[N]2C)[N](=Cc3ccc1)C)[O](c8ccc7)C)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: 14.1074 ± 0.0008 Å
• b: 14.1074 ± 0.0008 Å
• c: 23.882 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4116.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2361
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No