Information card for entry 7062155

Structure parameters

• Formula: C42 H30 N3 P
• Calculated formula: C42 H30 N3 P
• 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: 8.8016 ± 0.0006 Å
• b: 18.1414 ± 0.0013 Å
• c: 19.4268 ± 0.0014 Å
• α: 90°
• β: 98.1385 ± 0.0013°
• γ: 90°
• Cell volume: 3070.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No