Information card for entry 7060970

Structure parameters

• Formula: C20 H15 N3 O4 Zn
• Calculated formula: C20 H15 N3 O4 Zn
• Title of publication: Conformational isomerism involving the carboxylate groups of a linker in metal organic frameworks and its distinctive influence on the detection of ketones
• Authors of publication: Kumar, Sandeep; Bhambri, Himanshi; Mandal, Sanjay K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 20219 - 20226
• a: 8.576 ± 0.003 Å
• b: 17.76 ± 0.006 Å
• c: 15.79 ± 0.006 Å
• α: 90°
• β: 93.828 ± 0.007°
• γ: 90°
• Cell volume: 2399.6 ± 1.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No