Information card for entry 2016303

Structure parameters

• Chemical name: (4-methoxybenzenethiolato-κS)oxido[2,2'-(propylimino)bis(ethanethiolato)- κ^3^S,N,S']technetium(V)
• Formula: C14 H22 N O2 S3 Tc
• Calculated formula: C14 H22 N O2 S3 Tc
• SMILES: [Tc]12(SCC[N]2(CCS1)CCC)(Sc1ccc(OC)cc1)=O
• Title of publication: Two mononuclear Tc complexes: [2,2'-(3-phenylpropylimino)- and [2,2'-(propylimino)bis(ethanethiolato)](4-methoxybenzenethiolato)oxidotechnate(V)
• Authors of publication: Franziska Emmerling; Werner Kraus; Bernhard Noll; Steffi Noll; Hans-Jürgen Pietzsch
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m579 - m582
• a: 10.61 ± 0.007 Å
• b: 10.356 ± 0.007 Å
• c: 16.296 ± 0.011 Å
• α: 90°
• β: 90.574 ± 0.015°
• γ: 90°
• Cell volume: 1790 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes