Information card for entry 1562083

Structure parameters

• Formula: C54 H54 Cd3 N12 O18
• Calculated formula: C54 H54 Cd3 N12 O18
• Title of publication: Luminescent MOFs comprising mixed tritopic linkers and Cd(II)/Zn(II) nodes for selective detection of organic nitro compounds and iodine capture
• Authors of publication: Rachuri, Yadagiri; Bisht, Kamal Kumar; Parmar, Bhavesh; Suresh, Eringathodi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 223
• Pages of publication: 23 - 31
• a: 8.644 ± 0.004 Å
• b: 10.479 ± 0.005 Å
• c: 16.369 ± 0.008 Å
• α: 95.523 ± 0.008°
• β: 102.341 ± 0.008°
• γ: 102.103 ± 0.008°
• Cell volume: 1400.7 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0925
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No