Information card for entry 7003324

Structure parameters

• Formula: C33 H53 Cu F6 N7 P
• Calculated formula: C33 H53 Cu F6 N7 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Cu]1(C#[N]c2c(cccc2C)C)[N](=C2N(C(=C(C)N2C(C)C)C)C(C)C)CC[N]1=C1N(C(=C(C)N1C(C)C)C)C(C)C
• Title of publication: Synthesis and reactivity of copper(i) complexes with an ethylene-bridged bis(imidazolin-2-imine) ligand
• Authors of publication: Petrovic, Dejan; Hill, Lyndal M. R.; Jones, Peter G.; Tolman, William B.; Tamm, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 887 - 894
• a: 13.0257 ± 0.0014 Å
• b: 16.665 ± 0.0018 Å
• c: 17.4258 ± 0.0019 Å
• α: 90°
• β: 96.982 ± 0.002°
• γ: 90°
• Cell volume: 3754.6 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No