Information card for entry 7236416

Structure parameters

• Chemical name: Tripticene triacid
• Formula: C25 H13 Br Cd N3 O7
• Calculated formula: C25 H13 Br Cd N3 O7
• Title of publication: Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF
• Authors of publication: Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 5402
• a: 13.9438 ± 0.0015 Å
• b: 42.307 ± 0.006 Å
• c: 16.9583 ± 0.0016 Å
• α: 90°
• β: 104.249 ± 0.007°
• γ: 90°
• Cell volume: 9696 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2267
• Residual factor for significantly intense reflections: 0.1802
• Weighted residual factors for significantly intense reflections: 0.4784
• Weighted residual factors for all reflections included in the refinement: 0.5026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No