Information card for entry 7113386

Structure parameters

• Common name: Compound 1
• Formula: C31 H79 B11 P2 Pt
• Calculated formula: C31 H79 B11 P2 Pt
• SMILES: [Pt]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C.[CH]1234[B]567(C)[B]891(C)[B]1%102(C)[B]2%113(C)[B]345(C)[B]45%11(C)[B]%11%102(C)[B]291(C)[B]168(C)[B]734(C)[B]5%1121C
• Title of publication: [PtMe(iPr3P)2]+: a Pt(II) complex with an agostic interaction that undergoes C-H activation.
• Authors of publication: Ingleson, Michael J.; Mahon, Mary F.; Weller, Andrew S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2398 - 2399
• a: 9.242 ± 0.0004 Å
• b: 12.983 ± 0.0005 Å
• c: 18.332 ± 0.0007 Å
• α: 87.486 ± 0.001°
• β: 86.543 ± 0.002°
• γ: 86.672 ± 0.002°
• Cell volume: 2190.13 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No