Information card for entry 7700879

Structure parameters

• Formula: C40 H42 B2 F4 N6 O2
• Calculated formula: C40 H42 B2 F4 N6 O2
• Title of publication: BODIPY-functionalized 1,10-phenanthroline as a long wavelength sensitizer for near-infrared emission of the ytterbium(iii) ion.
• Authors of publication: Kukoyi, Adedayo; Micheli, Eric A.; Liu, Beibei; He, Hongshan; May, P. Stanley
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 13880 - 13887
• a: 8.5972 ± 0.0005 Å
• b: 10.6737 ± 0.0006 Å
• c: 21.2322 ± 0.0013 Å
• α: 97.645 ± 0.001°
• β: 97.985 ± 0.001°
• γ: 105.649 ± 0.001°
• Cell volume: 1828 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0748
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No