Information card for entry 1516941

Structure parameters

• Formula: C113 H116 Cu9 N28 O21
• Calculated formula: C113 H116 Cu9 N28 O21
• SMILES: [Cu]123([N]4C(C5[N]6[Cu]7([N]8C(C9[N]%10[Cu]%11([N]%12C(C%13[N]1=[N]1[Cu]([n]%14ccccc%14)([n]%14ccccc%14)([O]=%13)Oc%13c(cccc%13)C1=[O]2)=[O][Cu]1([N]=%12C(c2c(cccc2)O1)=[O]%11)[n]1ccccc1)[O]=C1[N]=%10[Cu]([n]2ccccc2)([O]=9)(Oc2c1cccc2)[NH](C)C)=[O][Cu]1([N]=8C(c2c(cccc2)O1)=[O]7)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[O]=C1[N]=6[Cu](Oc2c1cccc2)([n]1ccccc1)[O]=5)=[O][Cu]1([N]=4C(c2c(cccc2)O1)=[O]3)[n]1ccccc1)[n]1ccccc1.CN(C)C=O.CN(C)C=O.CN(C)C=O.CNC.CNC
• Title of publication: Metal clusters constructed by dihydrazide ligand: Synthesis, structure and magnetic properties
• Authors of publication: Dongcheng Liu; Zilu Chen; Wanyun Huang; Suni Qin; Liping Jiang; Suping Zhou; Fupei Liang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 179 - 183
• a: 33.552 ± 0.007 Å
• b: 11.631 ± 0.002 Å
• c: 30.295 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11822 ± 4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No