Information card for entry 7056625

Structure parameters

• Formula: C62 H44 N12 O17 Zn2
• Calculated formula: C62 H44 N12 O17 Zn2
• Title of publication: Structural Diversity of Zn(II) Based Coordination Polymers Constructed from a Flexible Carboxylate Linker and Pyridyl Co-linkers : Fluorescence Sensing of Nitro-aromatics
• Authors of publication: Gupta, Anoop Kumar; Tomar, Kapil; Bharadwaj, Parimal K.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 14.513 ± 0.005 Å
• b: 14.2 ± 0.005 Å
• c: 14.873 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.193 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2911.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No