Information card for entry 7040211

Structure parameters

• Chemical name: DPT-MIDA
• Formula: C29 H28.5 B2 N3.5 O8 S
• Calculated formula: C29 H28.5 B2 N3.5 O8 S
• Title of publication: Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.
• Authors of publication: Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9754 - 9757
• a: 12.3898 ± 0.0005 Å
• b: 12.5148 ± 0.0005 Å
• c: 19.2391 ± 0.0008 Å
• α: 80.953 ± 0.002°
• β: 81.408 ± 0.002°
• γ: 85.928 ± 0.002°
• Cell volume: 2909.5 ± 0.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No