Information card for entry 2209423

Structure parameters

• Chemical name: Bromotricarbonyl{15-[2-(methylsulfanyl)ethylsulfanyl]pentadecanoic acid-κ^2^S,S'}rhenium(I)
• Formula: C21 H36 Br O5 Re S2
• Calculated formula: C20.997 H36 Br O4.997 Re S2
• Title of publication: Bromotricarbonyl{15-[2-(methylsulfanyl)ethylsulfanyl]pentadecanoic acid-κ^2^<i>S</i>,<i>S</i>'}rhenium(I)
• Authors of publication: Werner Kraus; Martin Walther; Christian M. Jung; Franziska Emmerling; Hans-Jürgen Pietzsch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1660 - m1662
• a: 7.486 ± 0.005 Å
• b: 12.041 ± 0.008 Å
• c: 29.07 ± 0.02 Å
• α: 90°
• β: 90.349 ± 0.016°
• γ: 90°
• Cell volume: 2620 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No