Information card for entry 7043346

Structure parameters

• Chemical name: Acetonitriletriphenylphosphinetris(2,6-dimetylphenylselenolato)technetium(III)
• Formula: C44 H45 N P Se3 Tc
• Calculated formula: C44 H45 N P Se3 Tc
• SMILES: [Tc]([Se]c1c(C)cccc1C)([Se]c1c(cccc1C)C)([Se]c1c(C)cccc1C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC
• Title of publication: Technetium Complexes with Arylselenolato and Aryltellurolato Ligands
• Authors of publication: Noschang Cabral, Bruno; Kirsten, Lars; Hagenbach, Adelheid; Piquini, Paulo Cesar; Patzschke, Michael; Lang, Ernesto; Abram, Ulrich
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.7142 ± 0.0006 Å
• b: 11.2883 ± 0.0007 Å
• c: 18.3014 ± 0.0012 Å
• α: 86.201 ± 0.002°
• β: 79.812 ± 0.002°
• γ: 68.285 ± 0.002°
• Cell volume: 2024 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No