Information card for entry 7001881

Structure parameters

• Formula: C112 H98 Cu4 N16 O35
• Calculated formula: C112 H98 Cu4 N16 O35
• 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: 19.3405 ± 0.0004 Å
• b: 19.6142 ± 0.0004 Å
• c: 15.5801 ± 0.0003 Å
• α: 90°
• β: 114.021 ± 0.0009°
• γ: 90°
• Cell volume: 5398.43 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0436
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No