Information card for entry 2103679

Structure parameters

• Common name: diaquadinitratodipyrimidinecopper(II)
• Chemical name: catena-diaquadinitrato-[m-pyrimidine-N1:N1]-copper(II)
• Formula: C4 H8 Cu N4 O8
• Calculated formula: C4 H8 Cu N4 O8
• SMILES: [Cu](ON(=O)=O)(ON(=O)=O)([OH2])([OH2])[n]1c[n](ccc1)[Cu](ON(=O)=O)(ON(=O)=O)([OH2])([OH2])[n]2cnccc2
• 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: 12.408 ± 0.008 Å
• b: 11.511 ± 0.009 Å
• c: 7.518 ± 0.009 Å
• α: 90°
• β: 114.99 ± 0.05°
• γ: 90°
• Cell volume: 973.3 ± 1.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0292
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes