Information card for entry 4347838

Structure parameters

• Common name: tap014
• Formula: C50 H53.5 Ce K4 N10 O18
• Calculated formula: C49.824 H53.648 Ce K4 N10 O18
• Title of publication: A Macrocyclic Chelator That Selectively Binds Ln⁴⁺ over Ln³⁺ by a Factor of 10²⁹.
• Authors of publication: Pham, Tiffany A.; Altman, Alison B.; Stieber, S Chantal E; Booth, Corwin H.; Kozimor, Stosh A.; Lukens, Wayne W.; Olive, Daniel T.; Tyliszczak, Tolek; Wang, Jian; Minasian, Stefan G.; Raymond, Kenneth N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 9989 - 10002
• a: 11.351 ± 0.0007 Å
• b: 16.411 ± 0.0012 Å
• c: 20.117 ± 0.0014 Å
• α: 79.136 ± 0.002°
• β: 86.923 ± 0.002°
• γ: 80.854 ± 0.002°
• Cell volume: 3632.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1036
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No