Information card for entry 7046497

Structure parameters

• Formula: C68 H115 Cl2 N7 O23 S4 Tb2
• Calculated formula: C68 H115 Cl2 N7 O23 S4 Tb2
• Title of publication: Sensitive and selective urinary 1-hydroxypyrene detection by dinuclear terbium-sulfonylcalixarene complex.
• Authors of publication: Sun, Cheng-Zhe; Zhang, Li-Yi; Wang, Jin-Yun; Chen, Zhong-Ning; Dai, Feng-Rong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 25
• Pages of publication: 8301 - 8306
• a: 14.7653 ± 0.0007 Å
• b: 23.1399 ± 0.001 Å
• c: 25.0656 ± 0.0011 Å
• α: 88.199 ± 0.002°
• β: 85.335 ± 0.002°
• γ: 78.795 ± 0.002°
• Cell volume: 8372 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No