Information card for entry 7120291

Structure parameters

• Formula: C52 H32 N20 O17 Zn6
• Calculated formula: C52 H32 N20 O17 Zn6
• Title of publication: A highly emissive and stable Zinc(II) metal-organic framework as a host-guest chemopalette for approaching white-light-emission
• Authors of publication: Cai, Hong; Xu, Lili; Lai, Heyun; Liu, Jing-Yi; Ng, Seik Weng; Li, Dan
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.4267 ± 0.0001 Å
• b: 12.4267 ± 0.0001 Å
• c: 27.1577 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4193.77 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.3191
• Weighted residual factors for all reflections included in the refinement: 0.3269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No