Information card for entry 4308459

Structure parameters

• Formula: C18 H48 Cl2 Cu3 N6 O12
• Calculated formula: C18 H40 Cl2 Cu3 N6 O12
• SMILES: [Cu]1234[N](=C(C)CC([NH2]3)(C)C)O[Cu]356[OH]1[Cu]1([N](O2)=C(CC([NH2]1)(C)C)C)(O[N]3=C(CC(C)([NH2]5)C)C)[Cl]46.O.Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: Synthesis, Crystal Structure, and Magnetic Properties of Oxime-Bridged Polynuclear Ni(II) and Cu(II) Complexes
• Authors of publication: Yun-Bo Jiang; Hui-Zhong Kou; Ru-Ji Wang; Ai-Li Cui; Joan Ribas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 709 - 715
• a: 12.611 ± 0.003 Å
• b: 21.931 ± 0.004 Å
• c: 11.987 ± 0.002 Å
• α: 90°
• β: 92.45 ± 0.03°
• γ: 90°
• Cell volume: 3312.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No