Information card for entry 7233284

Structure parameters

• Chemical name: Dimethoxy-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium(III) 4,4-Azopyridine
• Formula: C31 H24 F9 N2 Nd O8 S3
• Calculated formula: C31 H24 F9 N2 Nd O8 S3
• Title of publication: Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission
• Authors of publication: Kumar, Kunal; Abe, Daisuke; Komori-Orisaku, Keiko; Stefańczyk, Olaf; Nakabayashi, Koji; Shakirova, Julia R.; Tunik, Sergey P.; Ohkoshi, Shin-ichi
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 41
• Pages of publication: 23444
• a: 10.8784 ± 0.0004 Å
• b: 18.8797 ± 0.0008 Å
• c: 19.2659 ± 0.0007 Å
• α: 90°
• β: 105.874 ± 0.008°
• γ: 90°
• Cell volume: 3806 ± 0.3 ų
• Cell temperature: 340 ± 2 K
• Ambient diffraction temperature: 340 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No