Information card for entry 4118023

Structure parameters

• Common name: TcNPh2(PPh3)2
• Chemical name: Nitridodiphenylbis(triphenylphosphine)technetium(V) tetrahydrofuran solvate
• Formula: C56 H56 N O2 P2 Tc
• Calculated formula: C56 H56 N O2 P2 Tc
• SMILES: [Tc](#N)(c1ccccc1)(c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• 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: 9.984 ± 0.001 Å
• b: 13.382 ± 0.001 Å
• c: 18.572 ± 0.002 Å
• α: 105.39 ± 0.01°
• β: 93.52 ± 0.01°
• γ: 99.12 ± 0.01°
• Cell volume: 2348.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No