Information card for entry 7056148

Structure parameters

• Formula: C48 H32 Cd3 N2 Na2 O26
• Calculated formula: C48 H32 Cd3 N2 Na2 O26
• Title of publication: Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand
• Authors of publication: Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 3537
• a: 14.915 ± 0.0009 Å
• b: 15.7739 ± 0.0009 Å
• c: 16.032 ± 0.0009 Å
• α: 100.659 ± 0.0007°
• β: 112.209 ± 0.0006°
• γ: 107.228 ± 0.0007°
• Cell volume: 3141.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No