Information card for entry 7233309

Structure parameters

• Formula: C66 H38 In2 N2 O16
• Calculated formula: C66 H38 In2 N2 O16
• 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: 9.0282 ± 0.0002 Å
• b: 15.3282 ± 0.0003 Å
• c: 26.6329 ± 0.0005 Å
• α: 90.906 ± 0.002°
• β: 91.479 ± 0.002°
• γ: 98.927 ± 0.002°
• Cell volume: 3639.03 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No