Information card for entry 1574604

Structure parameters

• Chemical name: L-42
• Formula: C24 H22 N4 O14 Zn2
• Calculated formula: C24 H22 N4 O14 Zn2
• Title of publication: Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices
• Authors of publication: Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10742 - 10749
• a: 8.5446 ± 0.0001 Å
• b: 11.378 ± 0.0001 Å
• c: 14.9531 ± 0.0001 Å
• α: 90°
• β: 92.073 ± 0.001°
• γ: 90°
• Cell volume: 1452.8 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No