Information card for entry 7703480

Structure parameters

• Formula: C18 H20 Ba2 N2 O21 P4 S2
• Calculated formula: C18 H22 Ba2 N2 O21 P4 S2
• 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: 15.596 ± 0.003 Å
• b: 24.683 ± 0.005 Å
• c: 8.749 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3368 ± 1.1 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 7
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No