Information card for entry 7010176

Structure parameters

• Formula: C44 H50 Cu2 N12 O12 Zn
• Calculated formula: C44 H50 Cu2 N12 O12 Zn
• SMILES: c1c2c(ccc1)C=[N](O)[Cu]13([N](c4ccccc4C=N3=O)=C3C(O[Zn]4(O3)([O]=CN(C)C)(OC3C(=[N]5c6ccccc6C=N(=O)[Cu]65([N]=3c3ccccc3C=[N]6O)[O]=CN(C)C)O4)[O]=CN(C)C)=[N]21)[O]=CN(C)C
• Title of publication: Trinuclear CuIIMIICuII complexes of an oxamide/dioxime ligand and extension to a bimetallic magnetic compound
• Authors of publication: Fukita, Nobuo; Ohba, Masaaki; Shiga, Takuya; Ōkawa, Hisashi; Ajiro, Yoshitami
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 64
• a: 24.91 ± 0.004 Å
• b: 10.245 ± 0.003 Å
• c: 19.459 ± 0.003 Å
• α: 90°
• β: 104.72 ± 0.01°
• γ: 90°
• Cell volume: 4803 ± 1.8 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.405
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No