Information card for entry 2229409

Structure parameters

• Chemical name: Bis(2,3-diaminopyridinium) bis(μ-pyridine-2,6-dicarboxylato)- κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^; κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aqua(pyridine-2,6- dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bismuthate(III)] tetrahydrate
• Formula: C38 H40 Bi2 N10 O22
• Calculated formula: C38 H40 Bi2 N10 O22
• SMILES: Nc1[nH+]cccc1N.[Bi]12345([n]6c(cccc6C(=O)O1)C(=O)O3)[n]1c(cccc1C(=O)O2)C(=O)[O]4[Bi]1234([n]6c(cccc6C(=O)O1)C(=O)O3)[n]1c(cccc1C(=O)O2)C(=O)[O]45.Nc1[nH+]cccc1N.O.O.O.O.O.O
• Title of publication: Bis(2,3-diaminopyridinium) bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bismuthate(III)] tetrahydrate
• Authors of publication: Aghabozorg, Hossein; Kazemi, Shokoofeh; Agah, Ali Akbar; Mirzaei, Masoud; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m360 - m361
• a: 9.3462 ± 0.0019 Å
• b: 10.726 ± 0.002 Å
• c: 11.098 ± 0.002 Å
• α: 95.13 ± 0.03°
• β: 91.38 ± 0.03°
• γ: 90.47 ± 0.03°
• Cell volume: 1107.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes