Information card for entry 7062150

Structure parameters

• Formula: C125 H81 B Cl Cu2 F24 N6 P2
• Calculated formula: C124.999 H81 B Cl Cu2 F23.997 N6 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: 16.9539 ± 0.0002 Å
• b: 18.4799 ± 0.0003 Å
• c: 20.4231 ± 0.0003 Å
• α: 106.584 ± 0.001°
• β: 103.426 ± 0.001°
• γ: 110.971 ± 0.001°
• Cell volume: 5311.67 ± 0.16 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0396
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No