Information card for entry 4122217

Structure parameters

• Formula: C122 H106 B Cl2 F24 N3 O4 P2 Pt S2
• Calculated formula: C122 H106 B Cl2 F24 N3 O4 P2 Pt S2
• Title of publication: A multi-state, allosterically-regulated molecular receptor with switchable selectivity.
• Authors of publication: Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 29
• Pages of publication: 10340 - 10348
• a: 26.0542 ± 0.0007 Å
• b: 18.7864 ± 0.0005 Å
• c: 23.4577 ± 0.0007 Å
• α: 90°
• β: 90.777 ± 0.002°
• γ: 90°
• Cell volume: 11480.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No