Information card for entry 2230048

Structure parameters

• Chemical name: <i>catena</i>-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ- pyridine-2,5-dicarboxylato)]
• Formula: C34 H30 N8 O20 Pr2
• Calculated formula: C34 H30 N8 O20 Pr2
• SMILES: [Pr]1234([OH2])([OH2])OC(=O)c5[n]4cc(cc5)C(=O)O[Pr]456([OH2])([OH2])(OC(=O)c7[n]6cc(cc7)C(=O)[O-])OC(=O)c6[n]5cc(cc6)C(=O)O[Pr]56([OH2])([OH2])(OC(=O)c7[n]5cc(cc7)C(=O)O4)OC(=O)c4[n]6cc(cc4)C(=O)O[Pr]45([OH2])([OH2])(OC(=O)c6ccc([n]2c6)C(=O)O1)(OC(=O)c1[n]4cc(cc1)C(=O)O3)OC(=O)c1[n]5cc(cc1)C(=O)[O-].[nH]1cc[nH+]c1.[nH]1c[nH+]cc1.[nH]1cc[nH+]c1.[nH]1c[nH+]cc1
• Title of publication: <i>catena</i>-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ-pyridine-2,5-dicarboxylato)]
• Authors of publication: Zhang, Wenjun; Chen, Yanmei; Lei, Tao; Li, Yahong; Li, Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m569 - m570
• a: 9.5444 ± 0.0019 Å
• b: 10.667 ± 0.002 Å
• c: 11.222 ± 0.002 Å
• α: 64.63 ± 0.03°
• β: 79.5 ± 0.03°
• γ: 87.5 ± 0.03°
• Cell volume: 1014.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0157
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes