Information card for entry 4071742

Structure parameters

• Formula: C31 H7 B F38 O2 P2 Pt
• Calculated formula: C31 H7 B F38 O2 P2 Pt
• SMILES: [Pt]1([P](CC[P]1(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)(OC(C(F)(F)F)=[O][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C
• Title of publication: Synthesis of [(dfepe)Pt(Me)(NC5F5)]+B(C6F5)4−, a Highly Active Ethylene Dimerization Catalyst
• Authors of publication: Basu, Sayanti; Arulsamy, Navamoney; Roddick, Dean M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3659
• a: 37.288 ± 0.0007 Å
• b: 11.759 ± 0.0002 Å
• c: 37.4162 ± 0.0007 Å
• α: 90°
• β: 91.496 ± 0.001°
• γ: 90°
• Cell volume: 16400.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No