Information card for entry 7237951

Structure parameters

• Formula: C65.89 H72 Cl6.11 Er4 N5.89 O36 S12
• Calculated formula: C65.888 H72 Cl6.112 Er4 N5.888 O36 S12
• Title of publication: Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields
• Authors of publication: Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 36
• Pages of publication: 11207
• a: 19.7597 ± 0.001 Å
• b: 19.7597 ± 0.001 Å
• c: 14.6295 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5712 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No