Information card for entry 7123728

Structure parameters

• Formula: C47 H51 Er F3 N8 O6 S
• Calculated formula: C47 H51 Er F3 N8 O6 S
• Title of publication: Monometallic lanthanide salicylhydrazone complexes exhibiting strong near-infrared luminescence
• Authors of publication: Ayers, Kaitlynn M.; Schley, Nathan D.; Ung, Gaël
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 26.8628 ± 0.0004 Å
• b: 9.29634 ± 0.00017 Å
• c: 37.5992 ± 0.0005 Å
• α: 90°
• β: 98.6743 ± 0.0013°
• γ: 90°
• Cell volume: 9282.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No