Information card for entry 7249119

Structure parameters

• Common name: No.167
• Formula: C55 H43 Cd2 N9 O13
• Calculated formula: C55 H43 Cd2 N9 O13
• Title of publication: Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers
• Authors of publication: Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 34
• Pages of publication: 4708 - 4719
• a: 10.6934 ± 0.0003 Å
• b: 36.4837 ± 0.0007 Å
• c: 15.7079 ± 0.0004 Å
• α: 90°
• β: 98.7233 ± 0.0019°
• γ: 90°
• Cell volume: 6057.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No