Information card for entry 7121643

Structure parameters

• Formula: C24 H12 In3 O15
• Calculated formula: C24 H12 In3 O15
• Title of publication: 3D negative thermal expansion in orthorhombic MIL-68(In).
• Authors of publication: Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 5712 - 5715
• a: 21.86 ± 0.004 Å
• b: 37.89 ± 0.013 Å
• c: 7.248 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6003 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No