Information card for entry 4304405

Structure parameters

• Common name: [ReO3(tpzm*)]
• Chemical name: (Tris((3,5-dimethyl)pyrazol-1-yl)methan)-trioxo-rhenium(VII) perrhenat
• Formula: C16 H22 N6 O7 Re2
• Calculated formula: C16 H22 N6 O7 Re2
• SMILES: [Re]12([n]3c(cc(C)n3C(n3c(C)cc(C)[n]13)n1c(C)cc(C)[n]21)C)(=O)(=O)=O.[Re](=O)(=O)(=O)[O-]
• Title of publication: High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities
• Authors of publication: Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 257 - 264
• a: 15.2111 ± 0.0002 Å
• b: 12.8651 ± 0.0002 Å
• c: 22.0324 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4311.57 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No