Information card for entry 4069222

Structure parameters

• Formula: C29 H41 F6 N2 O0.5 P3 Pt
• Calculated formula: C27 H41 F6 N2 P3 Pt
• SMILES: C12=[PtH]3[P](c4c(cccc4)N1CCN2c1ccccc1[P]3(C(C)C)C(C)C)(C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Coordination Chemistry of a Tridentateo-Phenylene-Bridged Diphosphine−NHC System
• Authors of publication: Steinke, Tobias; Shaw, Bryan K.; Jong, Howard; Patrick, Brian O.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2830
• a: 13.144 ± 0.005 Å
• b: 17.286 ± 0.005 Å
• c: 28.256 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.411 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6380 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.644
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No