Information card for entry 4078633

Structure parameters

• Formula: C5.95 H5.3 O0.19 P0.28 Pd0.09 S0.09
• Calculated formula: C5.95349 H5.30233 O0.186047 P0.27907 Pd0.0930233 S0.0930233
• 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: 20.0444 ± 0.0009 Å
• b: 12.6952 ± 0.0006 Å
• c: 20.6272 ± 0.0009 Å
• α: 90°
• β: 99.757 ± 0.001°
• γ: 90°
• Cell volume: 5173 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1152
• 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: Yes
• Has Fobs: No