Information card for entry 4122216

Structure parameters

• Formula: C118 H101 B Cl2 F24 N O5 P2 Pt S2
• Calculated formula: C118 H101 B Cl2 F24 N O5 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: 10.8914 ± 0.0004 Å
• b: 23.607 ± 0.0006 Å
• c: 24.1102 ± 0.0007 Å
• α: 66.568 ± 0.0018°
• β: 79.589 ± 0.002°
• γ: 89.848 ± 0.002°
• Cell volume: 5577.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.06 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No