Information card for entry 7001884

Structure parameters

• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: c1ccc(c2cc(C)nc(c2)c2nc(cc(c3ccco3)c2)C)o1
• 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: 6.5194 ± 0.0001 Å
• b: 12.1847 ± 0.0002 Å
• c: 19.5707 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1554.64 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No