Information card for entry 4110095

Structure parameters

• Formula: C28 H30 Cu P
• Calculated formula: C28 H30 Cu P
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[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: 18.795 ± 0.003 Å
• b: 15.553 ± 0.003 Å
• c: 17.69 ± 0.003 Å
• α: 90°
• β: 111.492 ± 0.002°
• γ: 90°
• Cell volume: 4811.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No