Information card for entry 1570080

Structure parameters

• Formula: C30 H19 F N2 O4 Zn
• Calculated formula: C30 H19 F N2 O4 Zn
• Title of publication: Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.
• Authors of publication: Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 12321 - 12330
• a: 7.6189 ± 0.0002 Å
• b: 19.5052 ± 0.0006 Å
• c: 16.425 ± 0.0005 Å
• α: 90°
• β: 91.019 ± 0.001°
• γ: 90°
• Cell volume: 2440.5 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No