Information card for entry 2228752

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(pyridine-4-carboxylato-κ<i>N</i>)silver(I)]- μ-hexamethylenetetraamine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Formula: C12 H22 Ag N5 O5
• Calculated formula: C12 H22 Ag N5 O5
• SMILES: [Ag]([n]1ccc(cc1)C(=O)[O-])([N]12CN3CN(C1)CN(C3)C2)([OH2])[N]12CN3C[N]([Ag]([n]4ccc(cc4)C(=O)[O-])[OH2])(CN(C3)C2)C1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(pyridine-4-carboxylato-κ<i>N</i>)silver(I)]-μ-hexamethylenetetraamine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Sun, Dajun; Han, Liying; Zang, Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m47
• a: 11.8271 ± 0.0005 Å
• b: 13.2122 ± 0.0005 Å
• c: 10.256 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1602.62 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0165
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes