Information card for entry 7244433

Structure parameters

• Formula: C32 H64 Bi2 N8 Na2 O24
• Calculated formula: C32 H64 Bi2 N8 Na2 O24
• Title of publication: Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications
• Authors of publication: Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 5772 - 5781
• a: 17.1003 ± 0.0002 Å
• b: 6.5597 ± 0.0001 Å
• c: 19.8702 ± 0.0003 Å
• α: 90°
• β: 101.62 ± 0.001°
• γ: 90°
• Cell volume: 2183.22 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No