Information card for entry 7119009

Structure parameters

• Formula: C54 H38 Cd N8 O4
• Calculated formula: C54 H38 Cd N8 O4
• Title of publication: Cd(II)-MOF-IM: post-synthesis functionalization of a Cd(II)-MOF as a triphase transfer catalyst
• Authors of publication: Jian-Cheng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Hong Hu; Yu-Bin Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6989
• a: 8.8932 ± 0.001 Å
• b: 11.8369 ± 0.0005 Å
• c: 15.1942 ± 0.0008 Å
• α: 72.926 ± 0.004°
• β: 88.754 ± 0.006°
• γ: 88.696 ± 0.006°
• Cell volume: 1528.4 ± 0.2 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No