Information card for entry 7061123

Structure parameters

• Formula: C78.2 H71.55 Cl5.55 N4.45 O18.45 Zn4
• Calculated formula: C78.2 H71.55 Cl5.55 N4.45 O18.45 Zn4
• Title of publication: A novel luminescent phosphor of a metal–organic framework with orange-red emission
• Authors of publication: Meng, Wei; Sun, Lin; Long, Yuhao; Wang, Qianping; Zhou, Lian; Zhang, Jun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 933 - 935
• a: 12.662 ± 0.002 Å
• b: 13.459 ± 0.002 Å
• c: 24.432 ± 0.004 Å
• α: 90.626 ± 0.003°
• β: 96.747 ± 0.003°
• γ: 112.981 ± 0.003°
• Cell volume: 3799.3 ± 1 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No