Information card for entry 4118826

Structure parameters

• Formula: C75 H74 N10 Ni2 O12 S2
• Calculated formula: C75 H74 N10 Ni2 O12 S2
• Title of publication: Nickel-Mediated Oxidative Fluorination for PET with Aqueous [18F] Fluoride
• Authors of publication: Eunsung Lee; Jacob M. Hooker; Tobias Ritter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17456 - 17458
• a: 14.5704 ± 0.0011 Å
• b: 15.7185 ± 0.0012 Å
• c: 30.632 ± 0.002 Å
• α: 90°
• β: 96.597 ± 0.001°
• γ: 90°
• Cell volume: 6969 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No