Information card for entry 4344450

Structure parameters

• Formula: C25 H40 P2 Pd Si
• Calculated formula: C25 H40 P2 Pd Si
• SMILES: [PdH]12[P](c3ccccc3[Si]2(C)c2ccccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.
• Authors of publication: Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11411 - 11422
• a: 19.3892 ± 0.0013 Å
• b: 9.0012 ± 0.0001 Å
• c: 14.9432 ± 0.0002 Å
• α: 90°
• β: 94.714 ± 0.007°
• γ: 90°
• Cell volume: 2599.16 ± 0.18 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.027
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No