Information card for entry 1571469

Structure parameters

• Chemical name: InOF-1_300K
• Formula: C8 H3 In O5
• Calculated formula: C8 H3 In O5
• Title of publication: Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.
• Authors of publication: Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian
• Journal of publication: Materials horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3345 - 3351
• a: 15.4732 ± 0.00014 Å
• b: 15.4732 ± 0.00014 Å
• c: 12.3324 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2952.62 ± 0.06 ų
• Cell temperature: 300.1 ± 0.18 K
• Ambient diffraction temperature: 300.1 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No