Information card for entry 2217411

Structure parameters

• Chemical name: Poly[piperazinediium [[aquabismuthate(III)]-di-μ-pyridine-2,6-dicarboxylato- bismuthate(III)-di-μ-pyridine-2,6-dicarboxylato] monohydrate]
• Formula: C32 H28 Bi2 N6 O18
• Calculated formula: C32 H28 Bi2 N6 O18
• SMILES: C1(=O)c2cccc3C(=O)O[Bi]456([n]23)([n]2c(C(O4)=O)cccc2C(=O)O5)[O]2C(c3[n]4[Bi]257([O]16)([n]1c(C(=O)O7)cccc1C(O5)=O)OC(=O)c4ccc3)=O.[NH2+]1CC[NH2+]CC1.O.O
• Title of publication: Poly[piperazinediium [[aquabismuthate(III)]-di-μ-pyridine-2,6-dicarboxylato-bismuthate(III)-di-μ-pyridine-2,6-dicarboxylato] monohydrate]
• Authors of publication: Aghabozorg, Hossein; Nemati, Andya; Derikvand, Zohreh; Ghadermazi, Mohammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m374 - m374
• a: 10.8111 ± 0.0004 Å
• b: 12.166 ± 0.0005 Å
• c: 14.0402 ± 0.0005 Å
• α: 96.094 ± 0.001°
• β: 93.169 ± 0.001°
• γ: 113.848 ± 0.001°
• Cell volume: 1669.65 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0478
• 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