Information card for entry 2235542

Structure parameters

• Chemical name: Poly[μ~2~-aqua-μ~4~-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin- 1-yl}acetato)-sodium]
• Formula: C11 H13 Cl N3 Na O4
• Calculated formula: C11 H13 Cl N3 Na O4
• SMILES: [Na+].Clc1ncc(cc1)CN1CCN(C1=O)CC(=O)[O-].O
• Title of publication: Poly[μ~2~-aqua-μ~4~-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin-1-yl}acetato)-sodium]
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik; Deshmukh, Madhukar B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m891 - m892
• a: 45.655 ± 0.002 Å
• b: 4.9113 ± 0.0002 Å
• c: 12.5205 ± 0.0007 Å
• α: 90°
• β: 102.184 ± 0.005°
• γ: 90°
• Cell volume: 2744.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes