Information card for entry 2240992

Structure parameters

• Chemical name: Octa-μ~3~-selenido-(<i>p</i>-toluenesulfonato-κ<i>O</i>)pentakis(triethylphosphane-κ<i>P</i>)-<i>octahedro</i>-hexarhenium(III) <i>p</i>-toluenesulfonate dichloromethane disolvate
• Formula: C46 H93 Cl4 O6 P5 Re6 S2 Se8
• Calculated formula: C46 H93 Cl4 O6 P5 Re6 S2 Se8
• Title of publication: Crystal structure of octa-μ~3~-selenido-(<i>p</i>-toluenesulfonato-κ<i>O</i>)pentakis(triethylphosphane-κ<i>P</i>)-<i>octahedro</i>-hexarhenium(III) <i>p</i>-toluenesulfonate dichloromethane disolvate
• Authors of publication: Edwards, Julia A.; McDonald, Robert; Szczepura, Lisa F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: m158 - m159
• a: 11.7432 ± 0.001 Å
• b: 16.6878 ± 0.0014 Å
• c: 18.9786 ± 0.0016 Å
• α: 93.4729 ± 0.0011°
• β: 95.9862 ± 0.0012°
• γ: 100.085 ± 0.0011°
• Cell volume: 3629.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes