Information card for entry 7710690

Structure parameters

• Formula: C4 H11 N3 O S
• Calculated formula: C4 H11 N3 O S
• Title of publication: Hexadentate Technetium-99m Bis(thiosemicarbazonato) Complexes: Synthesis, Characterisation and Biodistribution
• Authors of publication: Kelderman, Cormac; Davey, Patrick; Ma, Michelle; de Veer, Michael; Salimova, Ekaterina; Donnelly, Paul Stephen; Paterson, Brett Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.9054 ± 0.0003 Å
• b: 7.1107 ± 0.0002 Å
• c: 10.2511 ± 0.0004 Å
• α: 90°
• β: 92.937 ± 0.003°
• γ: 90°
• Cell volume: 721.08 ± 0.04 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No