Information card for entry 7034640

Structure parameters

• Formula: C61 H51 Cu F6 N3 O2 P3
• Calculated formula: C61 H51 Cu F6 N3 O2 P3
• SMILES: [Cu]12([P](c3ccccc3)(c3c(Oc4ccccc4[P]1(c1ccccc1)c1ccccc1)cccc3)c1ccccc1)[n]1c(c3[n]2cccc3)cc(c2ccc(OCCCC)cc2)cc1c1ncccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: [Cu(N^N)(P^P)](+) complexes with 2,2':6',2''-terpyridine ligands as the N^N domain.
• Authors of publication: Murray, Niamh S.; Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7626 - 7633
• a: 14.5733 ± 0.0012 Å
• b: 20.7239 ± 0.0018 Å
• c: 18.0544 ± 0.0016 Å
• α: 90°
• β: 105.53 ± 0.005°
• γ: 90°
• Cell volume: 5253.6 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.0896
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections: 0.1962
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9709
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No