Information card for entry 7206501

Structure parameters

• Formula: C18 H14 N2 O8 Pb S
• Calculated formula: C18 H14 N2 O8 Pb S
• Title of publication: Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate
• Authors of publication: Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5915
• a: 19.2816 ± 0.0015 Å
• b: 6.9457 ± 0.0006 Å
• c: 14.1263 ± 0.0012 Å
• α: 90°
• β: 100.807 ± 0.002°
• γ: 90°
• Cell volume: 1858.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No