Information card for entry 4333243

Structure parameters

• Formula: C30 H34 Co2 Cu N20 O16
• Calculated formula: C30 H34 Co2 Cu N20 O16
• SMILES: N(=O)(=O)[O-].O=N(=O)[O-].[Cu]12([NH]=C3[N]4=C(N1)n1ccc[n]1[Co]154([n]4cccn34)[n]3c(cccc3C[OH]5)C[OH]1)[NH]=C1[N]3=C(N2)n2ccc[n]2[Co]243([n]3cccn13)[n]1c(cccc1C[OH]4)C[OH]2.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: 7.4824 ± 0.0006 Å
• b: 8.4117 ± 0.0007 Å
• c: 17.005 ± 0.0014 Å
• α: 86.338 ± 0.002°
• β: 86.662 ± 0.002°
• γ: 68.646 ± 0.002°
• Cell volume: 994.07 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No