Information card for entry 7239558

Structure parameters

• Formula: C31 H41 Cd N5 O14
• Calculated formula: C31 H41 Cd N5 O14
• Title of publication: Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands
• Authors of publication: Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 2213
• a: 10.217 ± 0.002 Å
• b: 10.362 ± 0.002 Å
• c: 18.118 ± 0.004 Å
• α: 102.53 ± 0.03°
• β: 99.35 ± 0.03°
• γ: 93.79 ± 0.03°
• Cell volume: 1837.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0963
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No