Information card for entry 2206143

Structure parameters

• Chemical name: [2-Carboxy-2,2',2''-nitrilotris(ethanethiolato)- κ^4^N,S,S',S''](triphenylphosphine-κP)rhenium(III) acetone solvate
• Formula: C28 H33 N O3 P Re S3
• Calculated formula: C28 H33 N O3 P Re S3
• Title of publication: [2-Carboxy-2,2',2''-nitrilotris(ethanethiolato)-κ^4^<i>N</i>,<i>S</i>,<i>S</i>',<i>S</i>''](triphenylphosphine-κ<i>P</i>)rhenium(III) acetone solvate
• Authors of publication: Eik Schiller; Werner Kraus; Günter Reck; Hartmut Spies; Hans-Jürgen Pietzsch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1373 - m1375
• a: 9.624 ± 0.006 Å
• b: 12.811 ± 0.007 Å
• c: 13.392 ± 0.009 Å
• α: 112.231 ± 0.005°
• β: 96.527 ± 0.006°
• γ: 90.078 ± 0.006°
• Cell volume: 1516.7 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes