Information card for entry 7217599

Structure parameters

• Formula: C7 H4 In0.25 O2
• Calculated formula: C7 H4 In0.25 O2
• Title of publication: Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations
• Authors of publication: Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 7434
• a: 10.7454 ± 0.0001 Å
• b: 10.7454 ± 0.0001 Å
• c: 14.4927 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1673.38 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 112
• Hermann-Mauguin space group symbol: P -4 2 c
• Hall space group symbol: P -4 2c
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7215835
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No