Information card for entry 4110094

Structure parameters

• Formula: C27 H28 Cu P
• Calculated formula: C27 H28 Cu P
• SMILES: [c]12([c]3([c]4([c]5([cH]1[Cu]2345[P](c1ccccc1)(c1ccccc1)c1ccccc1)C)C)C)C
• Title of publication: Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes
• Authors of publication: Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13049 - 13065
• a: 15.842 ± 0.002 Å
• b: 10.1071 ± 0.0014 Å
• c: 14.466 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2316.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No