Information card for entry 7703482

Structure parameters

• Formula: C9 H12 N O9.5 P2 Pb2 S
• Calculated formula: C9 H12 N O9.5 P2 Pb2 S
• Title of publication: Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.
• Authors of publication: Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2724 - 2733
• a: 5.3434 ± 0.0001 Å
• b: 23.6346 ± 0.0003 Å
• c: 13.1707 ± 0.0002 Å
• α: 90°
• β: 91.839 ± 0.001°
• γ: 90°
• Cell volume: 1662.46 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1808
• Residual factor for significantly intense reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.3646
• Weighted residual factors for all reflections included in the refinement: 0.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.482
• Diffraction radiation wavelength: 0.72932 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No