Information card for entry 4118022

Structure parameters

• Common name: [TcNCl(LMe)4]Cl
• Chemical name: Tetrakis(1,3,4,5-tetramethylimidazol-2-ylidene)nitridotechnetium(V) chloride
• Formula: C28 H48 Cl2 N9 Tc
• Calculated formula: C28 H48 Cl2.04 N9 Tc
• Title of publication: Aryl and NHC Compounds of Technetium and Rhenium
• Authors of publication: Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9118 - 9121
• a: 13.484 ± 0.001 Å
• b: 13.484 ± 0.001 Å
• c: 9.799 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No