Information card for entry 7028963

Structure parameters

• Common name: TctacnOnorbornadiol
• Chemical name: (exo-bicyclo{2.2.1}heptane-2,3-diolato)(oxo) (1,4,7-triazacyclononane)99technetium(V)bromide
• Formula: C13 H29 Br N3 O5 Tc
• Calculated formula: C13 H29 Br N3 O5 Tc
• SMILES: [Tc]123(=O)(O[C@@H]4[C@H](O1)[C@H]1CC[C@@H]4C1)[NH]1CC[NH]2CC[NH]3CC1.O.O.[Br-]
• Title of publication: A novel (99m)Tc labelling strategy for the development of silica based particles for medical applications.
• Authors of publication: Wuillemin, Michel A.; Stuber, Wanda T.; Fox, Thomas; Reber, Michael J.; Brühwiler, Dominik; Alberto, Roger; Braband, Henrik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4260 - 4263
• a: 7.1578 ± 0.0002 Å
• b: 11.8422 ± 0.0004 Å
• c: 21.8142 ± 0.0005 Å
• α: 92.863 ± 0.002°
• β: 91.351 ± 0.002°
• γ: 105.704 ± 0.003°
• Cell volume: 1776.5 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No