Information card for entry 7031114

Structure parameters

• Formula: C14 H16 N2 O11 S2
• Calculated formula: C14 H16 N2 O11 S2
• Title of publication: Synthesis, characterization and properties of a family of lead(ii)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration-rehydration behaviours.
• Authors of publication: Zhang, Kou-Lin; Zhong, Zhao-Yin; Zhang, Lei; Jing, Chu-Yue; Daniels, Luke M.; Walton, Richard I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11597 - 11610
• a: 6.2881 ± 0.0012 Å
• b: 8.0961 ± 0.0014 Å
• c: 8.6404 ± 0.0014 Å
• α: 93.554 ± 0.005°
• β: 97.654 ± 0.006°
• γ: 102.178 ± 0.006°
• Cell volume: 424.3 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No