Information card for entry 4078379

Structure parameters

• Formula: C25 H32 P Rh S
• Calculated formula: C25 H32 P Rh S
• SMILES: [Rh]12345(Sc6c(c7c5cccc7)cccc6)([P](C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation
• Authors of publication: Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3819
• a: 9.7151 ± 0.0002 Å
• b: 14.3632 ± 0.0001 Å
• c: 16.5451 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2308.7 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.0693
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No