Information card for entry 4333241

Structure parameters

• Formula: C16 H16 Cu N14
• Calculated formula: C16 H16 Cu N14
• SMILES: C1(=NC(=[NH][Cu]2(N1)NC(=NC(=[NH]2)n1cccn1)n1cccn1)n1cccn1)n1cccn1
• Title of publication: Isolation of a Pentadentate Ligand and Stepwise Synthesis, Structures, and Magnetic Properties of a New Family of Homo- and Heterotrinuclear Complexes
• Authors of publication: Zheng, Ling-Ling; Zhang, Wei-Xiong; Qin, Lian-Jing; Leng, Ji-Dong; Lu, Jun-Xian; Tong, Ming-Liang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9548 - 9557
• a: 22.285 ± 0.008 Å
• b: 22.285 ± 0.008 Å
• c: 3.8905 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No