Information card for entry 2216854

Structure parameters

• Chemical name: (4-Methoxybenzenethiolato-κS)oxido[2,2'-(propylimino)bis(ethanethiolato)- κ^3^S,N,S']rhenium(V)
• Formula: C14 H22 N O2 Re S3
• Calculated formula: C14 H22 N O2 Re S3
• SMILES: [Re]12(SCC[N]2(CCS1)CCC)(Sc1ccc(OC)cc1)=O
• Title of publication: (4-Methoxybenzenethiolato-κ<i>S</i>)oxido[2,2'-(propylimino)bis(ethanethiolato)-κ^3^<i>S</i>,<i>N</i>,<i>S</i>']rhenium(V)
• Authors of publication: Werner Kraus; Franziska Emmerling; Bernhard Noll; Steffi Noll; Hans-Jürgen Pietzsch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3018 - m3018
• a: 12.16 ± 0.003 Å
• b: 16.809 ± 0.004 Å
• c: 9.441 ± 0.002 Å
• α: 90°
• β: 111.459 ± 0.004°
• γ: 90°
• Cell volume: 1795.9 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes