Information card for entry 7233283

Structure parameters

• Chemical name: 4-pyridinol-aqua-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium
• Formula: C29 H18 F9 N Nd O8 S3
• Calculated formula: C29 H18 F9 N 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: 10.2196 ± 0.0003 Å
• b: 12.3454 ± 0.0005 Å
• c: 13.2336 ± 0.0005 Å
• α: 79.269 ± 0.006°
• β: 84.424 ± 0.006°
• γ: 81.211 ± 0.006°
• Cell volume: 1617.09 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No