Information card for entry 7121791

Structure parameters

• Formula: C36 H32 F3 N4 Nd O10
• Calculated formula: C36 H32 F3 N4 Nd O10
• Title of publication: Anomalous thermally-activated NIR emission of ESIPT modulated Nd-complexes for optical fiber sensing devices.
• Authors of publication: Sun, Si-Si; Zhang, Jian-Hua; Wang, Zheng; Yu, Yong-Qin; Zhu, Cheng-Yi; Pan, Mei; Su, Cheng-Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 49
• Pages of publication: 6304 - 6307
• a: 10.1306 ± 0.0005 Å
• b: 11.4102 ± 0.0006 Å
• c: 17.3413 ± 0.0007 Å
• α: 70.926 ± 0.004°
• β: 88.066 ± 0.004°
• γ: 72.035 ± 0.004°
• Cell volume: 1797.08 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0412
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No