Information card for entry 7240672

Structure parameters

• Formula: C69 H56 Cu F6 N2 O3 P3
• Calculated formula: C69 H56 Cu F6 N2 O3 P3
• SMILES: c1(cc(c2ccc3c(cc(C)[n]4c3c2[n]1[Cu]14[P]2(c3c4c(ccc3)C(c3cccc(c3O4)[P]31c1cc(ccc1Oc1c3cc(cc1)C)C)(C)C)c1cc(ccc1Oc1c2cc(cc1)C)C)c1ccccc1)c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Transferring photocatalytic CO2 reduction mediated by Cu(N^N)(P^P)+ complexes from organic solvents into ionic liquid media
• Authors of publication: Forero-Cortés, Paola A.; Marx, Maximilian; Moustakas, Nikolaos G.; Brunner, Fabian; Housecroft, Catherine E.; Constable, Edwin C.; Junge, Henrik; Beller, Matthias; Strunk, Jennifer
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 14
• Pages of publication: 4541 - 4549
• a: 25.4166 ± 0.0016 Å
• b: 16.5833 ± 0.001 Å
• c: 14.6422 ± 0.0008 Å
• α: 90°
• β: 105.981 ± 0.002°
• γ: 90°
• Cell volume: 5933 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No