Information card for entry 7103295

Structure parameters

• Formula: C32 H32 Cu F6 N4 O8 P
• Calculated formula: C32 H32 Cu F6 N4 O8 P
• SMILES: [Cu]12([n]3c(C)cc(C(=O)OC)cc3c3[n]1c(cc(c3)C(=O)OC)C)[n]1c(C)cc(C(=O)OC)cc1c1[n]2c(cc(c1)C(=O)OC)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: An element of surprise–efficient copper-functionalized dye-sensitized solar cells.
• Authors of publication: Bessho, Takeru; Constable, Edwin C; Graetzel, Michael; Hernandez Redondo, Ana; Housecroft, Catherine E; Kylberg, William; Nazeeruddin, Md K; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 32
• Pages of publication: 3717 - 3719
• a: 10.811 ± 0.0002 Å
• b: 20.0824 ± 0.0004 Å
• c: 16.3507 ± 0.0003 Å
• α: 90°
• β: 98.6805 ± 0.001°
• γ: 90°
• Cell volume: 3509.25 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.089
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2411
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No