Information card for entry 1574602

Structure parameters

• Chemical name: D-6
• Formula: C2.6 H0.05 N0.4 O1.2 Zn0.2
• Calculated formula: C2.6 H2.4 N0.4 O1.2 Zn0.2
• 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: 8.5952 ± 0.0002 Å
• b: 11.3099 ± 0.0002 Å
• c: 14.1931 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1379.72 ± 0.05 ų
• Cell temperature: 99.98 ± 0.18 K
• Ambient diffraction temperature: 99.98 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No