Information card for entry 4340077

Structure parameters

• Formula: C26 H38 Cu F6 P3
• Calculated formula: C26 H38 Cu F6 P3
• SMILES: [Cu]123[P](c4c([CH]1=[CH]3c1c([P]2(C(C)C)C(C)C)cccc1)cccc4)(C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.
• Authors of publication: Barrett, Brittany J.; Iluc, Vlad M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7248 - 7259
• a: 9.5653 ± 0.0004 Å
• b: 21.5479 ± 0.0009 Å
• c: 14.6122 ± 0.0006 Å
• α: 90°
• β: 103.131 ± 0.0016°
• γ: 90°
• Cell volume: 2933 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No