Information card for entry 7224094

Structure parameters

• Formula: C37 H34 N O8 Tb
• Calculated formula: C37 H24 N O8 Tb
• Title of publication: Luminescent Lanthanide-Organic Polyrotaxane Framework as a Turn-Off Sensor for nitrobenzene and Fe3+
• Authors of publication: Cao, Xiao-Man; Wei, Na; Liu, Lin; Li, Li; Han, Zheng-Bo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.8481 ± 0.001 Å
• b: 15.9105 ± 0.0013 Å
• c: 19.5148 ± 0.0016 Å
• α: 90°
• β: 92.135 ± 0.002°
• γ: 90°
• Cell volume: 3365.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No