Information card for entry 4121401

Structure parameters

• Formula: C211 H152 Dy F9 N40 O45 S3 Zn16
• Calculated formula: C211 H152 Dy F9 N40 O45 S3 Zn16
• Title of publication: Highly emitting near-infrared lanthanide "encapsulated sandwich" metallacrown complexes with excitation shifted toward lower energy.
• Authors of publication: Trivedi, Evan R.; Eliseeva, Svetlana V.; Jankolovits, Joseph; Olmstead, Marilyn M.; Petoud, Stéphane; Pecoraro, Vincent L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 4
• Pages of publication: 1526 - 1534
• a: 30.4975 ± 0.0019 Å
• b: 30.4975 ± 0.0019 Å
• c: 13.3192 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12388.2 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 75
• Hermann-Mauguin space group symbol: P 4
• Hall space group symbol: P 4
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No