Information card for entry 7236413

Structure parameters

• Chemical name: Tripticene triacid
• Formula: C22 H11 Mn N3 O6
• Calculated formula: C22 H11 Mn N3 O6
• 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: 13.7763 ± 0.0011 Å
• b: 40.73 ± 0.006 Å
• c: 17.9835 ± 0.0014 Å
• α: 90°
• β: 101.209 ± 0.002°
• γ: 90°
• Cell volume: 9898.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.3694
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.3329
• Weighted residual factors for all reflections included in the refinement: 0.4213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No