Information card for entry 4319133

Structure parameters

• Formula: C19 H26 O P S4 Tc
• Calculated formula: C19 H26 O P S4 Tc
• SMILES: [Tc]12(SCC[S]1CCS2)(Sc1ccc(OC)cc1)[P](C)(C)c1ccccc1
• Title of publication: Synthesis and Characterization of Novel Trigonal Bipyramidal Technetium(III) Mixed-Ligand Complexes with SES/S/P Coordination (E = O, N(CH3), S)
• Authors of publication: Hans-Jürgen Pietzsch; Francesco Tisato; Fiorenzo Refosco; Peter Leibnitz; Antje Drews; Sepp Seifert; Hartmut Spies
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 59 - 64
• a: 8.3869 ± 0.0004 Å
• b: 11.1578 ± 0.0006 Å
• c: 12.3806 ± 0.0006 Å
• α: 95.496 ± 0.001°
• β: 99.376 ± 0.001°
• γ: 92.235 ± 0.001°
• Cell volume: 1136.08 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.0855
• Goodness-of-fit parameter for all reflections: 0.748
• Goodness-of-fit parameter for significantly intense reflections: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No