Information card for entry 7117026

Structure parameters

• Formula: C54 H41.2 Cd Cl2 N12 O10
• Calculated formula: C54 H41.2 Cd Cl2 N12 O10
• Title of publication: p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion
• Authors of publication: Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7443
• a: 15.90821 ± 0.00018 Å
• b: 15.90821 ± 0.00018 Å
• c: 21.6184 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5470.99 ± 0.13 ų
• Cell temperature: 100.03 ± 0.11 K
• Ambient diffraction temperature: 100.03 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No