Information card for entry 4344447

Structure parameters

• Formula: C39.5 H62 P2 Pt Si
• Calculated formula: C39.5 H62 P2 Pt Si
• SMILES: [PtH]12[P](C3CCCCC3)(C3CCCCC3)c3ccccc3[Si]2(C)c2ccccc2[P]1(C1CCCCC1)C1CCCCC1.CCCCC
• 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: 24.4262 ± 0.0005 Å
• b: 16.3 ± 0.0003 Å
• c: 39.968 ± 0.003 Å
• α: 90°
• β: 105.394 ± 0.007°
• γ: 90°
• Cell volume: 15342.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No