Information card for entry 7001800

Structure parameters

• Formula: C92 H116 Cl2 Co9 N8 O28
• Calculated formula: C92 H112 Cl2 Co9 N8 O28
• SMILES: c1cccc2c1O[Co]1345[N](=C2)C2(C[OH][Co]678([O]9(CC(C[O]58)(C)[N]1=Cc1c(O4)cccc1)[Co]14(Cl)[O]5(CC8(C[O]%10[Co]59%11[O]5CC([N]9=Cc%12c(O[Co]%13%1059[N]8=Cc5c(cccc5)O%13)cccc%12)(C[OH]%11)C)C)[Co]589([O]%10CC(C[OH]5)([N]5=Cc%11c(cccc%11)O[Co]5%11%12%10[N](=Cc5c(O%11)cccc5)C(C[O]9%12)(C[O]18[Co]158[O]9CC([N]%10=Cc%11c(cccc%11)O[Co]9%11%12%10[N](=Cc9c(cccc9)O%12)C(C[O]8%11)(C[O]745)C)(C[OH]1)C)C)C)[Cl]6)[O]3C2)C.C(C)O.O.C(C)O.O
• Title of publication: Structure and magnetic property of a mixed-valence nonanuclear cobalt compound with a square-pyramidal CoII5 core
• Authors of publication: Jia, Zhong-Quan; Sun, Xiao-Jun; Hu, Li-Li; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 32
• Pages of publication: 6364 - 6367
• a: 32.6238 ± 0.0016 Å
• b: 9.4814 ± 0.0004 Å
• c: 33.395 ± 0.002 Å
• α: 90°
• β: 109.339 ± 0.005°
• γ: 90°
• Cell volume: 9746.9 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No