Information card for entry 7037130

Structure parameters

• Formula: C17 H24 Cu F6 N7 P2
• Calculated formula: C17 H24 Cu F6 N7 P2
• SMILES: [Cu]12([n]3n(P(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.
• Authors of publication: Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2237 - 2249
• a: 26.0651 ± 0.0016 Å
• b: 7.7824 ± 0.0003 Å
• c: 25.9327 ± 0.0013 Å
• α: 90°
• β: 116.124 ± 0.003°
• γ: 90°
• Cell volume: 4723 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No