Information card for entry 1573222

Structure parameters

• Chemical name: Pt-H_PtBu3_2 [BF3]
• Formula: C26 H59 B Cl4 F4 P2 Pt
• Calculated formula: C26 H59 B Cl4 F4 P2 Pt
• Title of publication: Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced ¹⁹⁵Pt solid state NMR spectroscopy and DFT calculations.
• Authors of publication: Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1271 - 1287
• a: 11.1587 ± 0.0003 Å
• b: 19.7667 ± 0.0005 Å
• c: 16.9439 ± 0.0005 Å
• α: 90°
• β: 96.666 ± 0.001°
• γ: 90°
• Cell volume: 3712.06 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No