Information card for entry 7043347

Structure parameters

• Chemical name: Acetonitriletriphenylphosphinetris(2,4,6-trimetylphenyltelurolato)technetium(III)
• Formula: C47 H51 N P Tc Te3
• Calculated formula: C47 H51 N P Tc Te3
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Tc]([Te]c1c(C)cc(cc1C)C)([Te]c1c(cc(cc1C)C)C)([Te]c1c(cc(cc1C)C)C)[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: 11.344 ± 0.0006 Å
• b: 18.5139 ± 0.001 Å
• c: 21.8268 ± 0.0012 Å
• α: 87.249 ± 0.002°
• β: 83.169 ± 0.002°
• γ: 89.829 ± 0.002°
• Cell volume: 4546.3 ± 0.4 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: 0.0851
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No