Information card for entry 7062157

Structure parameters

• Formula: C59 H46 Cu F3 N2 O3 P2 S
• Calculated formula: C59 H46 Cu F3 N2 O3 P2 S
• Title of publication: Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons
• Authors of publication: Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 2307 - 2323
• a: 19.0744 ± 0.0006 Å
• b: 10.2424 ± 0.0003 Å
• c: 25.3779 ± 0.0009 Å
• α: 90°
• β: 93.17 ± 0.002°
• γ: 90°
• Cell volume: 4950.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No