Information card for entry 1570079

Structure parameters

• Formula: C60 H34 Cl4 N4 O8 Zn2
• Calculated formula: C60 H34 Cl4 N4 O8 Zn2
• 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: 7.5165 ± 0.0002 Å
• b: 21.9107 ± 0.0006 Å
• c: 15.9258 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2622.85 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.3606
• Weighted residual factors for all reflections included in the refinement: 0.3735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No