Information card for entry 7018699

Structure parameters

• Formula: C32 H24 Bi2 N4 O18
• Calculated formula: C32 H24 Bi2 N4 O18
• SMILES: [Bi]1234([OH]C)([n]5c(C(=O)O1)cccc5C(=O)OC)[n]1c(C(=O)[O]2)cccc1C(=O)[O]3[Bi]123([OH]C)([n]5c(C(=O)O1)cccc5C(=O)OC)[n]1c(C(=O)[O]2)cccc1C(=O)[O]34
• Title of publication: Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.
• Authors of publication: Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4126 - 4134
• a: 9.1117 ± 0.0004 Å
• b: 10.1375 ± 0.0003 Å
• c: 10.8648 ± 0.0004 Å
• α: 67.217 ± 0.003°
• β: 71.802 ± 0.003°
• γ: 81.548 ± 0.003°
• Cell volume: 878.61 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No