Information card for entry 7004308

Structure parameters

• Formula: C12 H8 N2 O4 Pb
• Calculated formula: C12 H8 N2 O4 Pb
• Title of publication: Dynamic crystal-to-crystal conversion of a 3D‒3D coordination polymer by de- and re-hydration
• Authors of publication: Aslani, Alireza; Morsali, Ali; Zeller, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 5173 - 5177
• a: 16.595 ± 0.001 Å
• b: 10.028 ± 0.001 Å
• c: 14.635 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2435.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No