Information card for entry 7018697

Structure parameters

• Formula: C27 H37 Bi N6 O14
• Calculated formula: C27 H33 Bi N6 O14
• 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: 16.793 ± 0.0003 Å
• b: 10.5974 ± 0.0002 Å
• c: 18.5857 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3307.55 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No