Information card for entry 7233310

Structure parameters

• Formula: C31 H25 In N2 O8
• Calculated formula: C31 H25 In N2 O8
• Title of publication: Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity
• Authors of publication: Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 34
• Pages of publication: 5045
• a: 8.5776 ± 0.0001 Å
• b: 26.9064 ± 0.0005 Å
• c: 15.5158 ± 0.0002 Å
• α: 90°
• β: 91.233 ± 0.001°
• γ: 90°
• Cell volume: 3580.1 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No