Information card for entry 7039489

Structure parameters

• Formula: C50 H54 F18 Nd2 O19 S10
• Calculated formula: C50 H54 F18 Nd2 O19 S10
• Title of publication: Insight into the roles of structures and energy levels of mono- and bis-β-diketones on sensitizing Nd(iii) NIR-luminescence.
• Authors of publication: Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11459 - 11470
• a: 19.7938 ± 0.0005 Å
• b: 28.2072 ± 0.0005 Å
• c: 15.0963 ± 0.0004 Å
• α: 90°
• β: 118.891 ± 0.004°
• γ: 90°
• Cell volume: 7379.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No