Information card for entry 2205772

Structure parameters

• Chemical name: Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine- 1-acetato)nickel(II)
• Formula: C26 H24 F2 N8 Ni O10
• Calculated formula: C26 H24 F2 N8 Ni O10
• SMILES: C(=O)(CN1C(=O)NC(=O)C(=C1)F)O[Ni]([n]1c[nH]c2c1cccc2)([OH2])([n]1c[nH]c2c1cccc2)(OC(=O)CN1C(=O)NC(=O)C(=C1)F)[OH2]
• Title of publication: Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetato)nickel(II)
• Authors of publication: Mao-Lin Hu; Wei-Dong Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m975 - m977
• a: 7.2955 ± 0.0005 Å
• b: 8.3616 ± 0.0006 Å
• c: 11.93 ± 0.0008 Å
• α: 89.059 ± 0.001°
• β: 88.827 ± 0.001°
• γ: 70.549 ± 0.001°
• Cell volume: 686.04 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0741
• 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: Yes