Information card for entry 7118722

Structure parameters

• Formula: C33 H43 Cl Cu F6 N3 P
• Calculated formula: C33 H43 Cl Cu F6 N3 P
• SMILES: [Cu]12(Cl)[N](=C(c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)ccc3)C)c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Square planar Cu(i) stabilized by a pyridinediimine ligand.
• Authors of publication: Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4156 - 4159
• a: 8.6259 ± 0.0006 Å
• b: 11.8633 ± 0.0008 Å
• c: 16.6506 ± 0.0012 Å
• α: 90°
• β: 100.785 ± 0.008°
• γ: 90°
• Cell volume: 1673.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No