Information card for entry 4078623

Structure parameters

• Formula: C36 H28 O P2 S
• Calculated formula: C36 H28 O P2 S
• SMILES: S(=O)(c1c(P(c2ccccc2)c2ccccc2)cccc1)c1c(P(c2ccccc2)c2ccccc2)cccc1
• Title of publication: Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes
• Authors of publication: Suess, Daniel L. M.; Peters, Jonas C.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5213
• a: 10.3898 ± 0.0011 Å
• b: 16.0613 ± 0.0019 Å
• c: 34.037 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5679.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No