Information card for entry 7045041

Structure parameters

• Formula: C38.25 H29.5 Cu F6 N4 O0.25 P
• Calculated formula: C38.25 H28 Cu F6 N4 O0.25 P
• Title of publication: Intriguing C-HCu interactions in bis-(phenanthroline)Cu(i) redox mediators for dye-sensitized solar cells.
• Authors of publication: Colombo, Alessia; Ossola, Rachele; Magni, Mirko; Roberto, Dominique; Jacquemin, Denis; Castellano, Carlo; Demartin, Francesco; Dragonetti, Claudia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1018 - 1022
• a: 14.2112 ± 0.0008 Å
• b: 15.8165 ± 0.0008 Å
• c: 16.8488 ± 0.0009 Å
• α: 108.74 ± 0.01°
• β: 100.18 ± 0.01°
• γ: 98.38 ± 0.01°
• Cell volume: 3445.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1191
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No