Information card for entry 7018698

Structure parameters

• Formula: C38 H42 Bi2 N8 O18
• Calculated formula: C38 H42 Bi2 N8 O18
• SMILES: C1(O[Bi]234([n]5c(C(=O)O[Bi]678([n]9c1cccc9C(=O)O6)[n]1c(C(=O)O7)cccc1C(=O)O8)cccc5C(=O)O2)[n]1c(C(O3)=O)cccc1C(=O)O4)=O.N(C)(C)C=O.[NH2+](C)C.N(C)(C)C=O.[NH2+](C)C
• 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: 9.2386 ± 0.0005 Å
• b: 10.7144 ± 0.0006 Å
• c: 12.2516 ± 0.0006 Å
• α: 79.607 ± 0.004°
• β: 68.55 ± 0.005°
• γ: 78.703 ± 0.005°
• Cell volume: 1098.98 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.7 ± 0.2 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: 0.0205
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No