Information card for entry 7119363

Structure parameters

• Common name: sulfonamide_MMF
• Chemical name: sulfonamide_MMF
• Formula: C94.65 H105.36 Cl12 N16.29 O3.82 Pd6 S0.41
• Calculated formula: C94.6499 H98.5318 Cl12 N16.2942 O3.8246 Pd6 S0.4123
• Title of publication: Non-covalent immobilisation of p-toluenesulfonic acid in a porous molecular crystal for size-specific acid-catalysed reactions
• Authors of publication: Shohei; Tashiro; Hirotaka; Yonezawa; Ryou; Kubota; Tsutomu; Umeki; Mitsuhiko; Shionoya
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7657
• a: 19.5493 ± 0.0009 Å
• b: 51.784 ± 0.003 Å
• c: 14.2759 ± 0.0007 Å
• α: 90°
• β: 90.7569 ± 0.0014°
• γ: 90°
• Cell volume: 14450.8 ± 1.3 ų
• Cell temperature: 96 K
• Ambient diffraction temperature: 96 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: 0.1699
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.3281
• Weighted residual factors for all reflections included in the refinement: 0.3675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No