Information card for entry 7237952

Structure parameters

• Formula: C33 H36 Cl3 Er N3 O18 S6 Yb
• Calculated formula: C33.978 H36 Cl2.022 Er2 N3.978 O18 S6
• 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: 9.4433 ± 0.0003 Å
• b: 10.6073 ± 0.0003 Å
• c: 13.0079 ± 0.0004 Å
• α: 75.844 ± 0.002°
• β: 79.142 ± 0.003°
• γ: 87.177 ± 0.002°
• Cell volume: 1240.78 ± 0.07 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No