Information card for entry 4069221

Structure parameters

• Formula: C31 H49 F6 N2 O P3 Pd
• Calculated formula: C31 H49 F6 N2 O P3 Pd
• SMILES: C12=[PdH]3[P](c4c(cccc4)N1CCN2c1ccccc1[P]3(C(C)C)C(C)C)(C(C)C)C(C)C.C1CCCO1.[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: 8.4942 ± 0.001 Å
• b: 14.7569 ± 0.0019 Å
• c: 15.813 ± 0.002 Å
• α: 83.175 ± 0.004°
• β: 79.282 ± 0.004°
• γ: 78.507 ± 0.004°
• Cell volume: 1901.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No