Information card for entry 4319134

Structure parameters

• Formula: C20 H29 N O P S3 Tc
• Calculated formula: C20 H29 N O P S3 Tc
• SMILES: [Tc]12([P](C)(C)c3ccccc3)(SCC[N]2(C)CCS1)Sc1ccc(OC)cc1
• 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: 13.3054 ± 0.0005 Å
• b: 9.4678 ± 0.0004 Å
• c: 18.7909 ± 0.0007 Å
• α: 90°
• β: 100.708 ± 0.001°
• γ: 90°
• Cell volume: 2325.92 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.0594
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No