Information card for entry 4317778

Structure parameters

• Formula: C30 H26 Cu4 N16 O18
• Calculated formula: C30 H26 Cu4 N16 O18
• SMILES: c1cncn1[Cu]12(OC3c4[n](cccc4)[Cu]4([N]=3[N]2=C(c2cccc[n]12)O[Cu]1([N]2[N]3=C(c5cccc[n]5[Cu]3(n3ccnc3)(OC=2c2[n]1cccc2)ON(=O)=O)O4)(ON(=O)=O)[OH2])(ON(=O)=O)[OH2])ON(=O)=O
• Title of publication: New Mononuclear, Cyclic Tetranuclear, and 1-D Helical-Chain Cu(II) Complexes Formed by Metal-Assisted Hydrolysis of 3,6-Di-2-pyridyl-1,2,4,5-tetrazine (DPTZ): Crystal Structures and Magnetic Properties
• Authors of publication: Xian-He Bu; He Liu; Miao Du; Lei Zhang; Ya-Mei Guo; Mitsuhiko Shionoya; Joan Ribas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1855 - 1861
• a: 9.3422 ± 0.0014 Å
• b: 15.987 ± 0.002 Å
• c: 13.963 ± 0.002 Å
• α: 90°
• β: 108.587 ± 0.003°
• γ: 90°
• Cell volume: 1976.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No