Information card for entry 4084929

Structure parameters

• Common name: jonag30
• Chemical name: [Pt(dtbpe)]2(MeCC-CCMe)
• Formula: C42 H86 P4 Pt2
• Calculated formula: C42 H86 P4 Pt2
• SMILES: [C]1(#[C](C)[Pt]21[P](C(C)(C)C)(C(C)(C)C)CC[P]2(C(C)(C)C)C(C)(C)C)[C]1#[C](C)[Pt]21[P](C(C)(C)C)(C(C)(C)C)CC[P]2(C(C)(C)C)C(C)(C)C
• Title of publication: Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes
• Authors of publication: Gunay, Ahmet; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2233
• a: 20.245 ± 0.002 Å
• b: 8.2006 ± 0.0008 Å
• c: 28.514 ± 0.003 Å
• α: 90°
• β: 97.16 ± 0.001°
• γ: 90°
• Cell volume: 4697 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No