Information card for entry 7001880

Structure parameters

• Formula: C40 H32 Cu F6 N4 O4 P
• Calculated formula: C40 H32 Cu F6 N4 O4 P
• Title of publication: Copper(i) complexes of 6,6′-disubstituted 2,2′-bipyridine dicarboxylic acids: new complexes for incorporation into copper-based dye sensitized solar cells (DSCs)
• Authors of publication: Constable, Edwin C.; Redondo, Ana Hernandez; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6634 - 6644
• a: 8.9016 ± 0.0002 Å
• b: 10.957 ± 0.0003 Å
• c: 19.0865 ± 0.0004 Å
• α: 81.724 ± 0.001°
• β: 81.049 ± 0.001°
• γ: 88.743 ± 0.001°
• Cell volume: 1819.78 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No