Information card for entry 4133316

Structure parameters

• Formula: C216 H244 Cl4 Co4 F72 N76 O16 P12
• Calculated formula: C120 H100 Cl4 Co4 F72 N28 O16 P12
• Title of publication: Visualizing Kinetically Robust Co^III₄L₆ Assemblies in Vivo: SPECT Imaging of the Encapsulated [^99mTc]TcO₄^- Anion.
• Authors of publication: Burke, Benjamin P.; Grantham, William; Burke, Michael J.; Nichol, Gary S.; Roberts, David; Renard, Isaline; Hargreaves, Rebecca; Cawthorne, Christopher; Archibald, Stephen J.; Lusby, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 16877 - 16881
• a: 21.728 Å
• b: 21.728 Å
• c: 21.728 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10257.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.1451
• Weighted residual factors for significantly intense reflections: 0.3653
• Weighted residual factors for all reflections included in the refinement: 0.3656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No