Information card for entry 4087546

Structure parameters

• Formula: C32 H25 F6 N O Rh S Sb
• Calculated formula: C32 H25 F6 N O Rh S Sb
• SMILES: [Rh]123456(c7c(c8[n]1cccc8)cccc7)[S](=O)(c1c([c]72[c]3([cH]4[c]25[c]67cccc2)C)c2c(cc1)cccc2)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Electronic Control of Metal-Centered Chirality in η5:κS-Indenyl-Sulfanyl and -Sulfinyl Rhodacycles of 2-Phenylpyridine
• Authors of publication: Baker, Robert W.; Turner, Peter; Luck, Ian J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1751
• a: 10.3247 ± 0.0002 Å
• b: 12.1351 ± 0.0003 Å
• c: 13.5994 ± 0.0003 Å
• α: 104.285 ± 0.002°
• β: 109.105 ± 0.002°
• γ: 103.413 ± 0.002°
• Cell volume: 1466.45 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No