Information card for entry 7028674

Structure parameters

• Formula: C64 H40 Cd2 N4 O12
• Calculated formula: C64 H40 Cd2 N4 O12
• Title of publication: The photoluminescence and gas sorption properties of three Cd(ii) MOFs based on 1,3,5-benzenetribenzoate with -NH2 or -OH groups.
• Authors of publication: Fu, Hong-Ru; Wang, Fei; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4668 - 4673
• a: 17.1902 ± 0.001 Å
• b: 29.7214 ± 0.0018 Å
• c: 16.0823 ± 0.0006 Å
• α: 90°
• β: 98.722 ± 0.005°
• γ: 90°
• Cell volume: 8121.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No