Information card for entry 4087547

Structure parameters

• Formula: C33 H27 Cl2 F6 N O Rh S Sb
• Calculated formula: C33 H27 Cl2 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-].ClCCl
• 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: 8.0569 ± 0.0003 Å
• b: 9.0206 ± 0.0003 Å
• c: 22.9236 ± 0.0008 Å
• α: 84.576 ± 0.002°
• β: 87.844 ± 0.002°
• γ: 76.751 ± 0.002°
• Cell volume: 1614.22 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No