Information card for entry 4078952

Structure parameters

• Chemical name: (pR*,R~S~*)-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfinyl-κS)-1-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium
• Formula: C22 H17 Cl5 D O Rh S
• Calculated formula: C22 H17 Cl5 D O Rh S
• Title of publication: Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)
• Authors of publication: Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5622
• a: 12.3101 ± 0.0009 Å
• b: 10.2161 ± 0.0007 Å
• c: 18.6589 ± 0.0013 Å
• α: 90°
• β: 91.306 ± 0.003°
• γ: 90°
• Cell volume: 2346 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No