Information card for entry 7218417

Structure parameters

• Formula: C60 H72 Cl2 Co7 O32
• Calculated formula: C60 H72 Cl2 Co7 O32
• SMILES: c12c(cccc2C=[O][Co]234[O]1[Co]156[O]7(C)[Co]89%10([O]3(C)[Co]3%11([O]%12c%13c(cccc%13C=[O][Co]%13%12([O]%12c%14c(cccc%14C=[O][Co]%14%12([O]%12c%15c(cccc%15C=[O][Co]7%12([O]1c1c(cccc1C=[O]5)OCC)[O]%10%14C)OCC)[O]8%13C)OCC)[O]9%11C)OCC)[O]2c1c(cccc1C=[O]3)OCC)[O]46C)OCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature
• Authors of publication: zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 14.818 ± 0.0011 Å
• b: 14.818 ± 0.0011 Å
• c: 9.3912 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1785.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No