Information card for entry 7704833

Structure parameters

• Formula: C34 H23.5 Cd N6 O10 S
• Calculated formula: C34 H23.5 Cd N6 O10 S
• Title of publication: One-step introduction of terminal sulfonic groups into a proton-conducting metal-organic framework by concerted deprotonation-metalation-hydrolysis reaction.
• Authors of publication: Szufla, Monika; Roztocki, Kornel; Krawczuk, Anna; Matoga, Dariusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 9953 - 9956
• a: 39.3542 ± 0.0004 Å
• b: 8.9707 ± 0.0001 Å
• c: 30.3706 ± 0.0002 Å
• α: 90°
• β: 109.407 ± 0.001°
• γ: 90°
• Cell volume: 10112.7 ± 0.18 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.0991
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No