Information card for entry 7025192

Structure parameters

• Formula: C18 H18 Cu F6 N4 O2 P
• Calculated formula: C18 H18 Cu F6 N4 O2 P
• SMILES: [Cu]1([n]2c(C)cccc2C=[N]1c1cc(ccc1)C(=O)O)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Sticky complexes: carboxylic acid-functionalized N-phenylpyridin-2-ylmethanimine ligands as anchoring domains for copper and ruthenium dye-sensitized solar cells.
• Authors of publication: Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3585 - 3594
• a: 13.283 ± 0.0003 Å
• b: 7.4327 ± 0.0002 Å
• c: 21.891 ± 0.0004 Å
• α: 90°
• β: 105.697 ± 0.001°
• γ: 90°
• Cell volume: 2080.66 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0702
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No