Information card for entry 4317780

Structure parameters

• Formula: C12 H8 Cu N6 O7
• Calculated formula: C12 H8 Cu N6 O7
• 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: 13.9299 ± 0.0014 Å
• b: 9.2275 ± 0.0009 Å
• c: 12.1865 ± 0.0013 Å
• α: 90°
• β: 111.248 ± 0.002°
• γ: 90°
• Cell volume: 1459.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0709
• 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