Information card for entry 4083151

Structure parameters

• Common name: wdb_1_125
• Chemical name: wdb_1_125
• Formula: C24 H43 Cl F3 N O3 P2 Pd S
• Calculated formula: C24 H43 Cl F3 N O3 P2 Pd S
• SMILES: C1c2cccc3C[P](C(C)(C)C)(C(C)(C)C)[Pd]([n]23)([P]1(C(C)(C)C)C(C)(C)C)Cl.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis and Characterization of Anionic, Neutral, and Cationic PNP Pincer PdIIand PtIIHydrides
• Authors of publication: Bailey, Wilson D.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2503
• a: 12.0998 ± 0.0012 Å
• b: 9.8492 ± 0.001 Å
• c: 24.725 ± 0.003 Å
• α: 90°
• β: 90.643 ± 0.005°
• γ: 90°
• Cell volume: 2946.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No