Information card for entry 4078035

Structure parameters

• Formula: C35 H40 Cl4 Cu F6 N6 O P3
• Calculated formula: C35 H40 Cl4 Cu F6 N6 O P3
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(P(=O)(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Tris(pyrazolyl)phosphine Oxides. Synthesis and Coordination Chemistry with Copper(I)
• Authors of publication: Tazelaar, Cornelis G. J.; Lyaskovskyy, Volodymyr; Dijk, Tom van; Broere, Daniël L. J.; Kolfschoten, Ludo A.; Khiar, Rima Osman Hassan; Lutz, Martin; Slootweg, J. Chris; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3308
• a: 11.0739 ± 0.0003 Å
• b: 12.6624 ± 0.0003 Å
• c: 15.9619 ± 0.0002 Å
• α: 102.223 ± 0.001°
• β: 106.463 ± 0.001°
• γ: 91.278 ± 0.001°
• Cell volume: 2089.69 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No