Information card for entry 2103680

Structure parameters

• Common name: diaquadinitratodipyrimidinecopper(II)
• Chemical name: diaquadinitratodipyrimidinecopper(II)
• Formula: C8 H12 Cu N6 O8
• Calculated formula: C8 H12 Cu N6 O8
• SMILES: c1ccnc[n]1[Cu]([n]1cnccc1)(ON(=O)=O)(ON(=O)=O)([OH2])[OH2]
• 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: 7.1658 ± 0.0012 Å
• b: 14.105 ± 0.002 Å
• c: 7.5358 ± 0.0014 Å
• α: 90°
• β: 114.324 ± 0.012°
• γ: 90°
• Cell volume: 694.1 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes