Information card for entry 4314391

Structure parameters

• Chemical name: Tetrakis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)dioxotechnetium(V) pertechnetate
• Formula: C54 H100 N8 O8.5 Tc2
• Calculated formula: C54 H100 N8 O8.5 Tc2
• Title of publication: Synthesis and Structural Characterization of Cationic Rhenium(V) and Technetium(V) Dioxo Complexes Containing Four N-Heterocyclic Carbene Ligands
• Authors of publication: Henrik Braband; Theresa I. Zahn; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6160 - 6162
• a: 12.302 ± 0.005 Å
• b: 16.386 ± 0.005 Å
• c: 16.688 ± 0.005 Å
• α: 100.134 ± 0.005°
• β: 98.187 ± 0.005°
• γ: 106.092 ± 0.005°
• Cell volume: 3116.1 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No