Information card for entry 7010175

Structure parameters

• Formula: C44 H50 Cu2 N12 Ni O12
• Calculated formula: C44 H50 Cu2 N12 Ni O12
• SMILES: c12c(cccc2)C=N(=O)[Cu]23([N]1=C1C(=[N]3c3ccccc3C=[N]2O)O[Ni]2(O1)(OC1C(=[N]3c4ccccc4C=[N](O)[Cu]43([N]=1c1ccccc1C=N4=O)[O]=CN(C)C)O2)([O]=CN(C)C)[O]=CN(C)C)[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: 24.86 ± 0.01 Å
• b: 10.279 ± 0.003 Å
• c: 19.373 ± 0.005 Å
• α: 90°
• β: 104.86 ± 0.03°
• γ: 90°
• Cell volume: 4785 ± 3 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: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No