Information card for entry 2207305

Structure parameters

• Chemical name: Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine- 1-acetato)cadmium(II)
• Formula: C26 H24 Cd F2 N8 O10
• Calculated formula: C26 H24 Cd F2 N8 O10
• SMILES: c1[n]([Cd]([n]2c[nH]c3c2cccc3)(OC(=O)CN2C(=O)NC(=O)C(=C2)F)(OC(=O)CN2C(=O)NC(=O)C(=C2)F)([OH2])[OH2])c2c([nH]1)cccc2
• Title of publication: Diaquadibenzimidazolebis(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetato)cadmium(II)
• Authors of publication: Mao-Lin Hu; Xiao-Qing Cai; Zhi-Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2411 - m2413
• a: 7.5216 ± 0.0005 Å
• b: 8.3323 ± 0.0005 Å
• c: 12.2228 ± 0.0007 Å
• α: 88.287 ± 0.001°
• β: 89.114 ± 0.001°
• γ: 68.041 ± 0.001°
• Cell volume: 710.13 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes