Information card for entry 7062154

Structure parameters

• Formula: C53 H42 B Cl2 Cu F4 N2 P2
• Calculated formula: C53 H42 B Cl2 Cu F4 N2 P2
• 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: 10.2245 ± 0.0005 Å
• b: 18.4807 ± 0.001 Å
• c: 13.1184 ± 0.0007 Å
• α: 90°
• β: 110.303 ± 0.002°
• γ: 90°
• Cell volume: 2324.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No