Information card for entry 4101371

Structure parameters

• Common name: Pt-B-complex tetrabutylammonium
• Chemical name: tetra butylammonium dimethyl-2-dipyridyl-borane bis-phenyl platinum
• Formula: C40 H60 B N3 Pt
• Calculated formula: C40 H60 B N3 Pt
• SMILES: [Pt]1([n]2ccccc2[B-](c2cccc[n]12)(C)C)(c1ccccc1)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Facile arene C-H bond activation and alkane dehydrogenation with anionic LPt(II)Me2- in hydrocarbon-water systems (L = dimethyldi(2-pyridyl)borate).
• Authors of publication: Khaskin, Eugene; Zavalij, Peter Y; Vedernikov, Andrei N
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 40
• Pages of publication: 13054 - 13055
• a: 13.177 ± 0.004 Å
• b: 18.665 ± 0.006 Å
• c: 15.421 ± 0.005 Å
• α: 90°
• β: 96.982 ± 0.006°
• γ: 90°
• Cell volume: 3765 ± 2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No