Information card for entry 4333244

Structure parameters

• Formula: C30 H34 Cu N20 Ni2 O16
• Calculated formula: C30 H34 Cu N20 Ni2 O16
• SMILES: C12=[NH][Cu]3(NC4=[N]2[Ni]25([n]6cccn16)([n]1cccn41)[n]1c(cccc1C[OH]5)C[OH]2)[NH]=C1[N]2=C(N3)n3ccc[n]3[Ni]342([n]2cccn12)[n]1c(cccc1C[OH]4)C[OH]3.N(=O)(=O)[O-].O=N(=O)[O-].N(=O)(=O)[O-].O=N(=O)[O-]
• 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: 7.7313 ± 0.0012 Å
• b: 8.5788 ± 0.0014 Å
• c: 16.549 ± 0.003 Å
• α: 85.636 ± 0.002°
• β: 84.976 ± 0.003°
• γ: 71.365 ± 0.003°
• Cell volume: 1034.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No