Information card for entry 4069791

Structure parameters

• Common name: 2a, (dtbpe)Pt(MeCCPh)
• Formula: C27 H48 P2 Pt
• Calculated formula: C27 H48 P2 Pt
• SMILES: [Pt]12([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)[C](#[C]2C)c1ccccc1
• Title of publication: Reactivity Differences of Pt0Phosphine Complexes in C−C Bond Activation of Asymmetric Acetylenes
• Authors of publication: Gunay, Ahmet; Müller, Christian; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6524
• a: 11.9702 ± 0.0013 Å
• b: 16.2203 ± 0.0017 Å
• c: 15.1422 ± 0.0016 Å
• α: 90°
• β: 108.842 ± 0.001°
• γ: 90°
• Cell volume: 2782.5 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No