Information card for entry 4069793

Structure parameters

• Common name: 2c, (dtbpe)Pt(tBuCCPh)
• Formula: C30 H54 P2 Pt
• Calculated formula: C30 H54 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(=C2C(C)(C)C)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: 14.5883 ± 0.0017 Å
• b: 20.048 ± 0.002 Å
• c: 21.095 ± 0.002 Å
• α: 90°
• β: 90.922 ± 0.002°
• γ: 90°
• Cell volume: 6168.8 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No