Information card for entry 4308682

Structure parameters

• Chemical name: tetraaquo-bis(5-nitro-pyrimidin-2-olate)-nickel(ii)
• Formula: C8 H12 N6 Ni O10
• Calculated formula: C6 N6 Ni O4
• Title of publication: Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate
• Authors of publication: Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1472 - 1481
• a: 7.502977 Å
• b: 11.46582 Å
• c: 8.750554 Å
• α: 90°
• β: 101.781°
• γ: 90°
• Cell volume: 736.934 ų
• Ambient diffraction temperature: 298 ± 2 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: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 7.86
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No