Information card for entry 2217247

Structure parameters

• Chemical name: Poly[μ~3~-aqua-μ~2~-2,4-dinitrophenolato-rubidium(I)]
• Formula: C6 H5 N2 O6 Rb
• Calculated formula: C6 H5 N2 O6 Rb
• SMILES: [Rb+].O=N(=O)c1c([O-])ccc(c1)N(=O)=O.O
• Title of publication: Poly[μ~3~-aqua-μ~2~-2,4-dinitrophenolato-rubidium(I)]
• Authors of publication: Zhangqin Yang; Mancheng Hu; Xiuhang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m225 - m225
• a: 5.8519 ± 0.0018 Å
• b: 20.846 ± 0.007 Å
• c: 7.412 ± 0.002 Å
• α: 90°
• β: 93.148 ± 0.005°
• γ: 90°
• Cell volume: 902.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes