Information card for entry 2213675

Structure parameters

• Chemical name: <i>catena</i>-Poly[2,4,6-triamino-1,3,5-triazin-1-ium [[aqua(pyridine-2,6-dicarboxylato-κ^3^O,N,O')bismuth(III)]-μ-\ μ~2~-pyridine-2,6-dicarboxylato-κ^4^O,N,O':O']]
• Formula: C17 H15 Bi N8 O9
• Calculated formula: C17 H15 Bi N8 O9
• SMILES: [Bi]1234(OC(=O)c5[n]3c(ccc5)C(O1)=O)([OH2])OC(=O)c1[n]4c(ccc1)C(O2)=[O][Bi]1234(OC(=O)c5[n]3c(ccc5)C(O1)=O)([OH2])OC(=O)c1[n]4c(ccc1)C(O2)=O.[nH+]1c(nc(nc1N)N)N.[nH+]1c(nc(nc1N)N)N
• Title of publication: <i>catena</i>-Poly[2,4,6-triamino-1,3,5-triazin-1-ium [[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')bismuthate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']]
• Authors of publication: Sharif, Mahboubeh A.; Aghabozorg, Hossein; Moghim, Abolghasem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1599 - m1601
• a: 9.3948 ± 0.0019 Å
• b: 23.351 ± 0.005 Å
• c: 9.95 ± 0.002 Å
• α: 90°
• β: 111.88 ± 0.03°
• γ: 90°
• Cell volume: 2025.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes