Information card for entry 2232498

Structure parameters

• Common name: rubidium <i>trans</i>-2-nitrocinnamate 1.5 hydrate
• Chemical name: Poly[tetra-μ-aqua-diaquatetrakis[μ-(<i>E</i>)-2-nitrocinnamato]tetrarubidium]
• Formula: C9 H9 N O5.5 Rb
• Calculated formula: C9 H9 N O5.5 Rb
• SMILES: [Rb+].O.O.O=C([O-])/C=C/c1c(N(=O)=O)cccc1
• Title of publication: Poly[tetra-μ-aqua-diaquatetrakis[μ-(<i>E</i>)-2-nitrocinnamato]tetrarubidium]
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1594 - m1595
• a: 7.02312 ± 0.00014 Å
• b: 7.77072 ± 0.00015 Å
• c: 41.1902 ± 0.0008 Å
• α: 89.5447 ± 0.0015°
• β: 88.6733 ± 0.0016°
• γ: 84.8679 ± 0.0016°
• Cell volume: 2238.29 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes