Information card for entry 2017210

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(iminodiacetato-κ<i>O</i>)silver(I)]-μ~3~-2- aminopyrimidine-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]
• Formula: C8 H13 Ag N4 O5
• Calculated formula: C8 H13 Ag N4 O5
• SMILES: [Ag]1(OC(=O)C[NH2+]CC(=O)[O-])[NH2]c2nccc[n]2[Ag]2(OC(=O)C[NH2+]CC(=O)[O-])[NH2]c3[n]1ccc[n]3[Ag]1(OC(=O)C[NH2+]CC(=O)[O-])[NH2]c3[n]2ccc[n]3[Ag](OC(=O)C[NH2+]CC(=O)[O-])[NH2]c2[n]1cccn2.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[(iminodiacetato-κ<i>O</i>)silver(I)]-μ~3~-2-aminopyrimidine-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]: a one-dimensional silver(I) coordination polymer with mixed ligands
• Authors of publication: Sun, Di; Luo, Geng-Geng; Huang, Rong-Bin; Zhang, Na; Zheng, Lan-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m305 - m307
• a: 13.495 ± 0.003 Å
• b: 6.5202 ± 0.0013 Å
• c: 14.103 ± 0.003 Å
• α: 90°
• β: 113.49 ± 0.03°
• γ: 90°
• Cell volume: 1138.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK~α~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes