Information card for entry 7045043

Structure parameters

• Formula: C36 H24 Cu F6 N4 P
• Calculated formula: C36 H24 Cu F6 N4 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: 9.9803 ± 0.0004 Å
• b: 11.7805 ± 0.0005 Å
• c: 13.9367 ± 0.0006 Å
• α: 76.62 ± 0.01°
• β: 88.06 ± 0.01°
• γ: 76.88 ± 0.01°
• Cell volume: 1552.19 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No