Information card for entry 2103677

Structure parameters

• Common name: dinitratotripyrimidinecopper(II)
• Chemical name: catena-dinitrato-[m-pyrimidine-N1:N3]-(pyrimidine-N1)-copper(II)
• Formula: C8 H8 Cu N6 O6
• Calculated formula: C8 H8 Cu N6 O6
• SMILES: [Cu](ON(=O)=O)(ON(=O)=O)([n]1cnccc1)([n]1cnccc1)[n]1c[n]([Cu](ON(=O)=O)(ON(=O)=O)[n]2cnccc2)ccc1
• Title of publication: Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions
• Authors of publication: Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 288 - 295
• a: 9.991 ± 0.005 Å
• b: 8.531 ± 0.006 Å
• c: 14.359 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1223.9 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes